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_B DATA FIRST_RESID 1 DATA SEQUENCE DRVYIHPFHL LYHNKSTcXX XXXXXXXTLP ESTFEPVPIQ AKTSPVNEKT DATA SEQUENCE LHDQLVLAAE KLEDEDRKRA AQVAMITNFV GFRMYKMLNE AGSGASGAIL DATA SEQUENCE SPPALFGTLV SFYLGSLDPT ASQLQTLLDV PVKEGDcTSR LDGHKVLAAL DATA SEQUENCE RAVQGLLVTQ GGSSSQTPLL 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 AGEEXXXXXX XXXXXXPEAL DVTLSSPFLF AIYEQDSGTL HFLGRVNNPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.319 176.300 0.032 0.000 2.045 1 D CA 0.000 54.019 54.000 0.031 0.000 0.868 1 D CB 0.000 40.814 40.800 0.024 0.000 0.688 2 R N 0.976 121.507 120.500 0.051 0.000 2.586 2 R HA 0.291 4.631 4.340 -0.001 0.000 0.336 2 R C 0.260 176.602 176.300 0.069 0.000 1.060 2 R CA -0.201 55.926 56.100 0.046 0.000 1.079 2 R CB 1.333 31.652 30.300 0.032 0.000 1.317 2 R HN 0.001 nan 8.270 nan 0.000 0.568 3 V N 1.132 121.083 119.914 0.061 0.000 5.825 3 V HA -0.313 3.807 4.120 -0.001 0.000 0.234 3 V C -1.682 174.485 176.094 0.121 0.000 0.670 3 V CA 1.403 63.737 62.300 0.057 0.000 0.559 3 V CB -1.157 30.685 31.823 0.032 0.000 0.240 3 V HN 0.543 nan 8.190 nan 0.000 0.545 4 Y N 4.128 124.399 120.300 -0.048 0.000 2.333 4 Y HA 0.646 5.195 4.550 -0.001 0.000 0.319 4 Y C -0.551 175.304 175.900 -0.075 0.000 1.200 4 Y CA -0.971 57.091 58.100 -0.064 0.000 1.084 4 Y CB 1.370 39.797 38.460 -0.054 0.000 1.268 4 Y HN 0.327 nan 8.280 nan 0.000 0.422 5 I N 6.820 127.000 120.570 -0.649 0.000 2.354 5 I HA 0.194 4.364 4.170 -0.001 0.000 0.286 5 I C -0.122 175.448 176.117 -0.911 0.000 1.007 5 I CA -0.720 60.206 61.300 -0.624 0.000 1.167 5 I CB 0.665 38.358 38.000 -0.511 0.000 1.320 5 I HN 0.651 nan 8.210 nan 0.000 0.458 6 H N 8.776 127.362 119.070 -0.806 0.000 2.964 6 H HA 0.044 4.600 4.556 -0.000 0.000 0.328 6 H C -1.763 173.322 175.328 -0.405 0.000 1.030 6 H CA -0.822 54.882 56.048 -0.574 0.000 1.445 6 H CB 1.449 31.084 29.762 -0.212 0.000 1.449 6 H HN 0.368 nan 8.280 nan 0.000 0.581 7 P HA -0.183 nan 4.420 nan 0.000 0.217 7 P C 0.105 177.324 177.300 -0.135 0.000 1.148 7 P CA 1.432 64.200 63.100 -0.554 0.000 0.834 7 P CB -0.009 31.152 31.700 -0.898 0.000 0.783 8 F N -1.592 118.592 119.950 0.390 0.000 2.925 8 F HA 0.170 4.697 4.527 -0.001 0.000 0.302 8 F C 1.960 178.101 175.800 0.569 0.000 1.189 8 F CA -0.893 57.365 58.000 0.430 0.000 1.346 8 F CB -1.604 37.605 39.000 0.349 0.000 0.954 8 F HN 0.113 nan 8.300 nan 0.000 0.506 9 H N -0.695 118.615 119.070 0.400 0.000 2.422 9 H HA -0.097 4.458 4.556 -0.001 0.000 0.298 9 H C 1.451 176.955 175.328 0.293 0.000 1.098 9 H CA 1.211 57.445 56.048 0.310 0.000 1.315 9 H CB -0.319 29.503 29.762 0.100 0.000 1.382 9 H HN 0.198 nan 8.280 nan 0.000 0.523 10 L N 0.816 121.955 121.223 -0.140 0.000 2.622 10 L HA 0.069 4.409 4.340 -0.001 0.000 0.233 10 L C 2.078 178.947 176.870 -0.001 0.000 1.156 10 L CA 0.586 55.324 54.840 -0.169 0.000 0.866 10 L CB -0.952 40.988 42.059 -0.199 0.000 0.980 10 L HN 0.313 nan 8.230 nan 0.000 0.448 11 L N -2.796 118.475 121.223 0.081 0.000 2.640 11 L HA 0.112 4.452 4.340 -0.001 0.000 0.230 11 L C 0.328 177.111 176.870 -0.145 0.000 1.123 11 L CA -0.160 54.652 54.840 -0.047 0.000 0.900 11 L CB -0.107 41.891 42.059 -0.101 0.000 1.146 11 L HN 0.038 nan 8.230 nan 0.000 0.484 12 Y N -1.036 119.262 120.300 -0.004 0.000 2.374 12 Y HA 0.307 4.856 4.550 -0.001 0.000 0.322 12 Y C 0.997 176.878 175.900 -0.031 0.000 1.275 12 Y CA -0.741 57.353 58.100 -0.009 0.000 1.307 12 Y CB 0.529 39.011 38.460 0.037 0.000 1.282 12 Y HN -0.069 nan 8.280 nan 0.000 0.509 13 H N 1.454 120.669 119.070 0.242 0.000 2.848 13 H HA 0.055 4.610 4.556 -0.001 0.000 0.341 13 H C -0.544 174.861 175.328 0.128 0.000 1.060 13 H CA 0.156 56.296 56.048 0.154 0.000 1.444 13 H CB 0.431 30.274 29.762 0.135 0.000 1.446 13 H HN 0.718 nan 8.280 nan 0.000 0.583 14 N N 0.920 119.755 118.700 0.226 0.000 2.424 14 N HA 0.043 4.783 4.740 -0.001 0.000 0.257 14 N C 1.486 177.067 175.510 0.118 0.000 1.250 14 N CA 0.127 53.261 53.050 0.139 0.000 0.946 14 N CB 0.741 39.287 38.487 0.099 0.000 1.175 14 N HN 0.644 nan 8.380 nan 0.000 0.477 15 K N 0.232 120.679 120.400 0.079 0.000 2.103 15 K HA -0.189 4.131 4.320 -0.001 0.000 0.207 15 K C 2.163 178.790 176.600 0.045 0.000 1.048 15 K CA 2.141 58.461 56.287 0.055 0.000 0.930 15 K CB -1.370 31.155 32.500 0.042 0.000 0.716 15 K HN 0.649 nan 8.250 nan 0.000 0.444 16 S N 0.443 116.172 115.700 0.048 0.000 2.355 16 S HA -0.146 4.324 4.470 -0.001 0.000 0.222 16 S C 2.236 176.859 174.600 0.038 0.000 1.031 16 S CA 2.062 60.284 58.200 0.037 0.000 0.993 16 S CB -0.777 62.444 63.200 0.035 0.000 0.859 16 S HN 0.588 nan 8.310 nan 0.000 0.453 17 T N 0.968 115.563 114.554 0.069 0.000 3.072 17 T HA 0.156 4.505 4.350 -0.001 0.000 0.266 17 T C 1.166 175.865 174.700 -0.001 0.000 1.127 17 T CA 0.517 62.666 62.100 0.081 0.000 1.107 17 T CB -0.871 68.128 68.868 0.218 0.000 0.910 17 T HN 0.455 nan 8.240 nan 0.000 0.513 29 L N 3.050 124.277 121.223 0.006 0.000 2.475 29 L HA 0.408 4.747 4.340 -0.001 0.000 0.250 29 L C -1.495 175.380 176.870 0.008 0.000 1.224 29 L CA -1.591 53.252 54.840 0.004 0.000 0.821 29 L CB -0.135 41.925 42.059 0.002 0.000 1.141 29 L HN 0.426 nan 8.230 nan 0.000 0.494 30 P HA 0.035 nan 4.420 nan 0.000 0.269 30 P C -0.788 176.522 177.300 0.016 0.000 1.215 30 P CA -0.265 62.839 63.100 0.006 0.000 0.780 30 P CB 0.340 32.040 31.700 0.000 0.000 0.898 31 E N 0.768 120.981 120.200 0.022 0.000 2.376 31 E HA 0.102 4.451 4.350 -0.001 0.000 0.266 31 E C -0.187 176.440 176.600 0.046 0.000 1.009 31 E CA 0.364 56.791 56.400 0.045 0.000 0.902 31 E CB 0.446 30.171 29.700 0.041 0.000 0.972 31 E HN 0.336 nan 8.360 nan 0.000 0.439 32 S N 1.779 117.524 115.700 0.075 0.000 2.565 32 S HA 0.381 4.850 4.470 -0.001 0.000 0.274 32 S C 0.312 174.995 174.600 0.138 0.000 1.309 32 S CA -0.589 57.652 58.200 0.068 0.000 1.043 32 S CB 1.155 64.355 63.200 -0.001 0.000 0.939 32 S HN 0.607 nan 8.310 nan 0.000 0.504 33 T N -0.154 114.472 114.554 0.120 0.000 2.864 33 T HA 0.814 5.164 4.350 -0.001 0.000 0.299 33 T C -1.056 173.782 174.700 0.229 0.000 1.166 33 T CA -0.938 61.249 62.100 0.146 0.000 1.007 33 T CB 1.260 70.119 68.868 -0.015 0.000 1.219 33 T HN 0.573 nan 8.240 nan 0.000 0.506 34 F N -1.306 118.646 119.950 0.003 0.000 2.608 34 F HA 0.728 5.255 4.527 -0.001 0.000 0.309 34 F C -0.780 175.025 175.800 0.009 0.000 1.103 34 F CA -1.242 56.762 58.000 0.008 0.000 0.954 34 F CB 1.595 40.613 39.000 0.031 0.000 1.267 34 F HN 0.820 nan 8.300 nan 0.000 0.444 35 E N 4.395 124.587 120.200 -0.012 0.000 2.152 35 E HA 0.376 4.725 4.350 -0.001 0.000 0.285 35 E C -2.416 174.208 176.600 0.040 0.000 1.043 35 E CA -1.993 54.364 56.400 -0.071 0.000 0.839 35 E CB 0.801 30.501 29.700 0.001 0.000 1.069 35 E HN 0.424 nan 8.360 nan 0.000 0.399 36 P HA -0.077 nan 4.420 nan 0.000 0.267 36 P C -0.520 176.848 177.300 0.113 0.000 1.200 36 P CA -0.275 62.895 63.100 0.117 0.000 0.772 36 P CB 0.473 32.193 31.700 0.034 0.000 0.855 37 V N 0.597 120.592 119.914 0.135 0.000 2.963 37 V HA 0.292 4.412 4.120 -0.001 0.000 0.306 37 V C -2.347 173.778 176.094 0.051 0.000 1.077 37 V CA -1.854 60.499 62.300 0.088 0.000 1.124 37 V CB -0.604 31.272 31.823 0.089 0.000 0.987 37 V HN 0.404 nan 8.190 nan 0.000 0.487 38 P HA 0.201 nan 4.420 nan 0.000 0.269 38 P C 0.903 178.193 177.300 -0.018 0.000 1.215 38 P CA -0.014 63.094 63.100 0.012 0.000 0.780 38 P CB 0.476 32.184 31.700 0.014 0.000 0.898 39 I N 1.156 121.693 120.570 -0.056 0.000 2.700 39 I HA -0.309 3.861 4.170 -0.001 0.000 0.261 39 I C 1.453 177.539 176.117 -0.051 0.000 1.219 39 I CA 1.559 62.769 61.300 -0.149 0.000 1.463 39 I CB 0.074 37.967 38.000 -0.178 0.000 1.092 39 I HN 0.326 nan 8.210 nan 0.000 0.452 40 Q N 1.273 121.068 119.800 -0.008 0.000 2.224 40 Q HA 0.104 4.444 4.340 -0.001 0.000 0.203 40 Q C 1.063 177.089 176.000 0.044 0.000 0.970 40 Q CA 0.836 56.653 55.803 0.023 0.000 0.865 40 Q CB -0.463 28.283 28.738 0.013 0.000 0.922 40 Q HN 0.559 nan 8.270 nan 0.000 0.445 41 A N 1.528 124.374 122.820 0.043 0.000 2.580 41 A HA -0.068 4.252 4.320 -0.001 0.000 0.244 41 A C -0.099 177.534 177.584 0.082 0.000 1.045 41 A CA 0.121 52.193 52.037 0.058 0.000 0.761 41 A CB -0.146 18.892 19.000 0.063 0.000 0.962 41 A HN 0.167 nan 8.150 nan 0.000 0.512 42 K N 1.826 122.262 120.400 0.060 0.000 2.447 42 K HA 0.196 4.516 4.320 -0.001 0.000 0.281 42 K C -0.512 176.126 176.600 0.063 0.000 1.031 42 K CA 0.805 57.121 56.287 0.049 0.000 1.019 42 K CB 0.182 32.699 32.500 0.028 0.000 0.918 42 K HN 0.706 nan 8.250 nan 0.000 0.476 43 T N 2.451 117.037 114.554 0.053 0.000 2.949 43 T HA 0.153 4.503 4.350 -0.001 0.000 0.300 43 T C -0.945 173.753 174.700 -0.003 0.000 0.988 43 T CA -0.827 61.313 62.100 0.066 0.000 0.993 43 T CB 1.374 70.315 68.868 0.122 0.000 0.984 43 T HN 0.494 nan 8.240 nan 0.000 0.442 44 S N 5.598 121.314 115.700 0.027 0.000 2.525 44 S HA 0.232 4.702 4.470 -0.001 0.000 0.285 44 S C -1.698 172.886 174.600 -0.026 0.000 1.283 44 S CA -1.041 57.159 58.200 0.000 0.000 1.072 44 S CB -0.311 62.904 63.200 0.024 0.000 0.867 44 S HN 0.558 nan 8.310 nan 0.000 0.492 45 P HA 0.120 nan 4.420 nan 0.000 0.271 45 P C -0.347 176.911 177.300 -0.070 0.000 1.233 45 P CA -0.489 62.523 63.100 -0.147 0.000 0.789 45 P CB 0.330 31.938 31.700 -0.154 0.000 0.951 46 V N 2.002 121.851 119.914 -0.108 0.000 2.715 46 V HA 0.088 4.207 4.120 -0.001 0.000 0.299 46 V C 0.972 177.067 176.094 0.000 0.000 1.054 46 V CA 0.060 62.354 62.300 -0.011 0.000 1.077 46 V CB 0.066 31.858 31.823 -0.051 0.000 0.972 46 V HN 0.617 nan 8.190 nan 0.000 0.484 47 N N 2.834 121.561 118.700 0.044 0.000 2.564 47 N HA 0.218 4.957 4.740 -0.001 0.000 0.248 47 N C 0.761 176.328 175.510 0.095 0.000 0.986 47 N CA -0.320 52.764 53.050 0.055 0.000 0.921 47 N CB 1.409 39.919 38.487 0.037 0.000 1.136 47 N HN 0.689 nan 8.380 nan 0.000 0.509 48 E N 1.773 122.055 120.200 0.137 0.000 2.204 48 E HA -0.101 4.248 4.350 -0.001 0.000 0.194 48 E C 0.814 177.487 176.600 0.122 0.000 0.989 48 E CA 0.871 57.375 56.400 0.173 0.000 0.824 48 E CB 0.468 30.310 29.700 0.236 0.000 0.756 48 E HN 0.550 nan 8.360 nan 0.000 0.477 49 K N 0.067 120.517 120.400 0.084 0.000 2.167 49 K HA -0.030 4.289 4.320 -0.001 0.000 0.203 49 K C 2.163 178.824 176.600 0.102 0.000 1.052 49 K CA 1.032 57.361 56.287 0.070 0.000 0.956 49 K CB 0.081 32.600 32.500 0.032 0.000 0.735 49 K HN 0.011 nan 8.250 nan 0.000 0.451 50 T N 1.831 116.431 114.554 0.077 0.000 2.701 50 T HA -0.094 4.255 4.350 -0.001 0.000 0.263 50 T C 1.726 176.462 174.700 0.061 0.000 1.040 50 T CA 0.913 63.048 62.100 0.058 0.000 1.147 50 T CB -0.134 68.758 68.868 0.039 0.000 0.865 50 T HN -0.021 nan 8.240 nan 0.000 0.426 51 L N 0.837 122.104 121.223 0.073 0.000 2.079 51 L HA -0.125 4.215 4.340 -0.001 0.000 0.210 51 L C 2.342 179.251 176.870 0.066 0.000 1.081 51 L CA 1.654 56.531 54.840 0.062 0.000 0.752 51 L CB -0.983 41.126 42.059 0.084 0.000 0.896 51 L HN 0.456 nan 8.230 nan 0.000 0.433 52 H N -0.423 118.654 119.070 0.011 0.000 2.326 52 H HA -0.135 4.421 4.556 -0.001 0.000 0.301 52 H C 1.487 176.811 175.328 -0.006 0.000 1.081 52 H CA 1.737 57.783 56.048 -0.004 0.000 1.334 52 H CB 0.302 30.055 29.762 -0.014 0.000 1.385 52 H HN 0.324 nan 8.280 nan 0.000 0.504 53 D N 0.494 120.926 120.400 0.053 0.000 2.224 53 D HA -0.105 4.534 4.640 -0.001 0.000 0.205 53 D C 2.288 178.558 176.300 -0.050 0.000 0.965 53 D CA 0.598 54.596 54.000 -0.004 0.000 0.852 53 D CB -0.039 40.796 40.800 0.058 0.000 0.947 53 D HN 0.552 nan 8.370 nan 0.000 0.494 54 Q N -0.004 119.776 119.800 -0.034 0.000 2.084 54 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 54 Q C 2.186 178.147 176.000 -0.065 0.000 0.978 54 Q CA 0.617 56.397 55.803 -0.038 0.000 0.844 54 Q CB -0.049 28.676 28.738 -0.023 0.000 0.898 54 Q HN 0.156 nan 8.270 nan 0.000 0.426 55 L N 0.066 121.229 121.223 -0.099 0.000 2.083 55 L HA -0.139 4.201 4.340 -0.001 0.000 0.209 55 L C 2.050 178.835 176.870 -0.141 0.000 1.083 55 L CA 1.279 56.049 54.840 -0.116 0.000 0.752 55 L CB -0.311 41.665 42.059 -0.139 0.000 0.899 55 L HN -0.005 nan 8.230 nan 0.000 0.433 56 V N -0.558 119.234 119.914 -0.203 0.000 2.343 56 V HA -0.314 3.806 4.120 -0.001 0.000 0.247 56 V C 2.537 178.581 176.094 -0.083 0.000 1.051 56 V CA 1.892 64.095 62.300 -0.162 0.000 1.036 56 V CB -0.520 31.199 31.823 -0.174 0.000 0.654 56 V HN 0.410 nan 8.190 nan 0.000 0.451 57 L N 0.023 121.207 121.223 -0.066 0.000 1.970 57 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 57 L C 2.753 179.603 176.870 -0.034 0.000 1.071 57 L CA 1.940 56.756 54.840 -0.039 0.000 0.751 57 L CB -0.805 41.235 42.059 -0.031 0.000 0.889 57 L HN 0.374 nan 8.230 nan 0.000 0.432 58 A N -0.365 122.433 122.820 -0.037 0.000 1.940 58 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 58 A C 2.468 180.037 177.584 -0.025 0.000 1.176 58 A CA 1.838 53.859 52.037 -0.027 0.000 0.631 58 A CB -0.738 18.246 19.000 -0.027 0.000 0.814 58 A HN 0.477 nan 8.150 nan 0.000 0.446 59 A N -0.221 122.576 122.820 -0.037 0.000 1.902 59 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 59 A C 1.736 179.308 177.584 -0.021 0.000 1.181 59 A CA 1.480 53.498 52.037 -0.031 0.000 0.623 59 A CB -0.399 18.572 19.000 -0.049 0.000 0.818 59 A HN 0.609 nan 8.150 nan 0.000 0.443 60 E N -0.557 119.630 120.200 -0.023 0.000 2.403 60 E HA -0.001 4.349 4.350 -0.001 0.000 0.188 60 E C 0.498 177.093 176.600 -0.009 0.000 1.056 60 E CA 0.411 56.803 56.400 -0.014 0.000 0.892 60 E CB 0.002 29.693 29.700 -0.015 0.000 1.049 60 E HN 0.842 nan 8.360 nan 0.000 0.465 61 K N 0.095 120.490 120.400 -0.009 0.000 2.438 61 K HA 0.229 4.549 4.320 -0.001 0.000 0.205 61 K C 0.168 176.766 176.600 -0.002 0.000 1.033 61 K CA -0.235 56.049 56.287 -0.005 0.000 1.089 61 K CB 0.369 32.865 32.500 -0.006 0.000 0.857 61 K HN -0.061 nan 8.250 nan 0.000 0.522 62 L N 2.000 123.222 121.223 -0.002 0.000 2.397 62 L HA 0.239 4.579 4.340 -0.001 0.000 0.271 62 L C 0.463 177.336 176.870 0.004 0.000 1.148 62 L CA -0.401 54.440 54.840 0.002 0.000 0.825 62 L CB 0.875 42.936 42.059 0.002 0.000 1.117 62 L HN 0.183 nan 8.230 nan 0.000 0.456 63 E N 0.606 120.809 120.200 0.006 0.000 2.961 63 E HA 0.105 4.455 4.350 -0.001 0.000 0.254 63 E C 0.353 176.959 176.600 0.010 0.000 1.192 63 E CA -0.332 56.073 56.400 0.007 0.000 1.069 63 E CB 0.655 30.360 29.700 0.007 0.000 1.338 63 E HN 0.464 nan 8.360 nan 0.000 0.596 64 D N 0.107 120.514 120.400 0.012 0.000 2.149 64 D HA -0.106 4.534 4.640 -0.001 0.000 0.201 64 D C 1.315 177.625 176.300 0.018 0.000 0.972 64 D CA 0.636 54.646 54.000 0.015 0.000 0.835 64 D CB 0.259 41.069 40.800 0.017 0.000 0.966 64 D HN 0.345 nan 8.370 nan 0.000 0.476 65 E N 1.195 121.404 120.200 0.015 0.000 2.049 65 E HA -0.173 4.177 4.350 -0.001 0.000 0.198 65 E C 1.575 178.181 176.600 0.010 0.000 1.007 65 E CA 0.989 57.396 56.400 0.011 0.000 0.809 65 E CB -0.126 29.577 29.700 0.005 0.000 0.749 65 E HN 0.361 nan 8.360 nan 0.000 0.450 66 D N 0.013 120.419 120.400 0.009 0.000 2.144 66 D HA -0.122 4.518 4.640 -0.001 0.000 0.199 66 D C 2.034 178.342 176.300 0.013 0.000 0.984 66 D CA 0.743 54.749 54.000 0.010 0.000 0.834 66 D CB -0.249 40.556 40.800 0.008 0.000 0.955 66 D HN 0.126 nan 8.370 nan 0.000 0.465 67 R N 0.568 121.077 120.500 0.015 0.000 2.115 67 R HA 0.006 4.345 4.340 -0.001 0.000 0.226 67 R C 2.211 178.526 176.300 0.024 0.000 1.100 67 R CA 0.676 56.786 56.100 0.017 0.000 0.980 67 R CB 0.119 30.428 30.300 0.015 0.000 0.875 67 R HN 0.149 nan 8.270 nan 0.000 0.445 68 K N 0.159 120.577 120.400 0.031 0.000 2.025 68 K HA -0.099 4.221 4.320 -0.001 0.000 0.207 68 K C 2.155 178.789 176.600 0.056 0.000 1.049 68 K CA 1.095 57.412 56.287 0.050 0.000 0.933 68 K CB -0.064 32.473 32.500 0.062 0.000 0.714 68 K HN 0.055 nan 8.250 nan 0.000 0.438 69 R N 0.390 120.912 120.500 0.037 0.000 2.091 69 R HA -0.143 4.197 4.340 -0.001 0.000 0.238 69 R C 2.358 178.674 176.300 0.026 0.000 1.136 69 R CA 1.377 57.497 56.100 0.033 0.000 0.959 69 R CB -0.365 29.943 30.300 0.013 0.000 0.856 69 R HN 0.216 nan 8.270 nan 0.000 0.437 70 A N 0.979 123.809 122.820 0.017 0.000 1.883 70 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 70 A C 2.351 179.931 177.584 -0.007 0.000 1.186 70 A CA 1.891 53.929 52.037 0.001 0.000 0.624 70 A CB -0.708 18.294 19.000 0.003 0.000 0.822 70 A HN 0.445 nan 8.150 nan 0.000 0.444 71 A N -0.693 122.136 122.820 0.016 0.000 1.940 71 A HA -0.227 4.092 4.320 -0.001 0.000 0.219 71 A C 2.148 179.764 177.584 0.054 0.000 1.176 71 A CA 1.704 53.758 52.037 0.028 0.000 0.631 71 A CB -0.549 18.479 19.000 0.046 0.000 0.814 71 A HN 0.702 nan 8.150 nan 0.000 0.446 72 Q N -0.940 118.914 119.800 0.090 0.000 2.016 72 Q HA -0.092 4.247 4.340 -0.001 0.000 0.200 72 Q C 2.189 178.162 176.000 -0.045 0.000 0.978 72 Q CA 1.457 57.367 55.803 0.178 0.000 0.833 72 Q CB -0.628 28.270 28.738 0.267 0.000 0.895 72 Q HN 0.459 nan 8.270 nan 0.000 0.427 73 V N 1.277 121.128 119.914 -0.104 0.000 2.407 73 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 73 V C 2.219 178.118 176.094 -0.324 0.000 1.055 73 V CA 1.822 63.979 62.300 -0.239 0.000 1.049 73 V CB -0.701 31.060 31.823 -0.104 0.000 0.662 73 V HN 0.419 nan 8.190 nan 0.000 0.455 74 A N -0.607 122.096 122.820 -0.196 0.000 1.917 74 A HA -0.305 4.015 4.320 -0.001 0.000 0.219 74 A C 2.191 179.652 177.584 -0.205 0.000 1.182 74 A CA 2.613 54.531 52.037 -0.200 0.000 0.633 74 A CB -0.527 18.401 19.000 -0.119 0.000 0.819 74 A HN 0.584 nan 8.150 nan 0.000 0.448 75 M N -0.823 118.692 119.600 -0.141 0.000 2.132 75 M HA -0.044 4.436 4.480 -0.001 0.000 0.263 75 M C 2.023 178.219 176.300 -0.174 0.000 1.065 75 M CA 1.398 56.663 55.300 -0.058 0.000 1.122 75 M CB -0.416 32.271 32.600 0.145 0.000 1.365 75 M HN 0.405 nan 8.290 nan 0.000 0.411 76 I N -0.486 119.793 120.570 -0.484 0.000 2.315 76 I HA -0.233 3.936 4.170 -0.001 0.000 0.248 76 I C 2.206 177.969 176.117 -0.589 0.000 1.117 76 I CA 1.198 62.164 61.300 -0.557 0.000 1.404 76 I CB -0.920 36.608 38.000 -0.787 0.000 1.071 76 I HN 0.325 nan 8.210 nan 0.000 0.419 77 T N 1.091 115.148 114.554 -0.829 0.000 2.607 77 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 77 T C 1.714 176.187 174.700 -0.379 0.000 1.049 77 T CA 1.816 63.466 62.100 -0.750 0.000 1.162 77 T CB -0.477 68.046 68.868 -0.575 0.000 0.863 77 T HN 0.294 nan 8.240 nan 0.000 0.424 78 N N 0.944 119.480 118.700 -0.273 0.000 2.043 78 N HA -0.074 4.666 4.740 -0.001 0.000 0.193 78 N C 1.527 176.995 175.510 -0.070 0.000 1.037 78 N CA 1.104 54.019 53.050 -0.225 0.000 0.851 78 N CB -0.854 37.616 38.487 -0.027 0.000 1.027 78 N HN 0.424 nan 8.380 nan 0.000 0.422 79 F N 1.422 121.367 119.950 -0.009 0.000 2.065 79 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 79 F C 2.300 178.142 175.800 0.070 0.000 1.112 79 F CA 1.271 59.341 58.000 0.116 0.000 1.212 79 F CB -0.560 38.478 39.000 0.063 0.000 0.975 79 F HN -0.090 nan 8.300 nan 0.000 0.476 80 V N 0.630 120.576 119.914 0.053 0.000 2.970 80 V HA -0.041 4.079 4.120 -0.001 0.000 0.260 80 V C 2.175 178.207 176.094 -0.103 0.000 1.100 80 V CA 1.712 64.006 62.300 -0.011 0.000 1.122 80 V CB -1.030 30.902 31.823 0.181 0.000 0.721 80 V HN 0.556 nan 8.190 nan 0.000 0.483 81 G N -0.509 108.174 108.800 -0.196 0.000 2.505 81 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.214 81 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.214 81 G C 1.304 176.071 174.900 -0.222 0.000 1.237 81 G CA 1.020 45.955 45.100 -0.275 0.000 0.802 81 G HN 0.452 nan 8.290 nan 0.000 0.549 82 F N 1.192 121.047 119.950 -0.158 0.000 2.085 82 F HA -0.154 4.372 4.527 -0.001 0.000 0.299 82 F C 2.753 178.479 175.800 -0.124 0.000 1.096 82 F CA 1.684 59.615 58.000 -0.116 0.000 1.227 82 F CB -0.693 38.233 39.000 -0.122 0.000 0.983 82 F HN 0.033 nan 8.300 nan 0.000 0.482 83 R N -0.071 120.370 120.500 -0.098 0.000 2.097 83 R HA -0.176 4.164 4.340 -0.001 0.000 0.236 83 R C 2.193 178.455 176.300 -0.064 0.000 1.135 83 R CA 1.788 57.782 56.100 -0.177 0.000 0.934 83 R CB -0.393 29.696 30.300 -0.351 0.000 0.846 83 R HN 0.122 nan 8.270 nan 0.000 0.431 84 M N -1.162 118.409 119.600 -0.047 0.000 2.349 84 M HA -0.098 4.382 4.480 -0.001 0.000 0.266 84 M C 1.864 178.144 176.300 -0.033 0.000 1.076 84 M CA 1.087 56.368 55.300 -0.032 0.000 1.126 84 M CB -0.641 31.955 32.600 -0.006 0.000 1.392 84 M HN 0.205 nan 8.290 nan 0.000 0.440 85 Y N 1.595 121.825 120.300 -0.118 0.000 2.224 85 Y HA -0.225 4.324 4.550 -0.001 0.000 0.289 85 Y C 2.531 178.383 175.900 -0.080 0.000 1.146 85 Y CA 1.888 59.914 58.100 -0.123 0.000 1.182 85 Y CB -0.204 38.177 38.460 -0.131 0.000 0.983 85 Y HN 0.156 nan 8.280 nan 0.000 0.524 86 K N -0.646 119.746 120.400 -0.014 0.000 2.057 86 K HA -0.168 4.152 4.320 -0.001 0.000 0.206 86 K C 1.907 178.424 176.600 -0.138 0.000 1.050 86 K CA 1.589 57.831 56.287 -0.075 0.000 0.935 86 K CB -0.112 32.391 32.500 0.004 0.000 0.715 86 K HN 0.257 nan 8.250 nan 0.000 0.439 87 M N 0.931 120.461 119.600 -0.117 0.000 2.159 87 M HA -0.136 4.344 4.480 -0.001 0.000 0.263 87 M C 2.216 178.410 176.300 -0.177 0.000 1.063 87 M CA 0.927 56.156 55.300 -0.118 0.000 1.110 87 M CB -0.994 31.555 32.600 -0.085 0.000 1.374 87 M HN 0.219 nan 8.290 nan 0.000 0.411 88 L N 1.288 122.353 121.223 -0.264 0.000 1.989 88 L HA -0.181 4.159 4.340 -0.001 0.000 0.211 88 L C 1.841 178.520 176.870 -0.318 0.000 1.071 88 L CA 1.970 56.590 54.840 -0.366 0.000 0.749 88 L CB -1.016 40.719 42.059 -0.540 0.000 0.890 88 L HN 0.371 nan 8.230 nan 0.000 0.431 89 N N -0.766 117.715 118.700 -0.364 0.000 2.453 89 N HA -0.150 4.589 4.740 -0.001 0.000 0.183 89 N C 1.394 176.802 175.510 -0.170 0.000 1.041 89 N CA 1.091 53.972 53.050 -0.282 0.000 0.900 89 N CB 0.042 38.331 38.487 -0.329 0.000 0.961 89 N HN 0.607 nan 8.380 nan 0.000 0.443 90 E N 0.550 120.660 120.200 -0.150 0.000 2.250 90 E HA 0.053 4.403 4.350 -0.001 0.000 0.192 90 E C 1.745 178.293 176.600 -0.087 0.000 0.986 90 E CA 0.101 56.442 56.400 -0.098 0.000 0.849 90 E CB 0.168 29.820 29.700 -0.080 0.000 0.797 90 E HN 0.280 nan 8.360 nan 0.000 0.482 91 A N 1.131 123.887 122.820 -0.106 0.000 2.067 91 A HA 0.240 4.560 4.320 -0.001 0.000 0.217 91 A C 1.139 178.677 177.584 -0.076 0.000 1.156 91 A CA 0.986 52.973 52.037 -0.084 0.000 0.683 91 A CB -0.165 18.778 19.000 -0.094 0.000 0.808 91 A HN 0.249 nan 8.150 nan 0.000 0.455 92 G N -0.991 107.750 108.800 -0.098 0.000 3.209 92 G HA2 0.079 4.039 3.960 -0.001 0.000 0.686 92 G HA3 0.079 4.039 3.960 -0.001 0.000 0.686 92 G C 0.265 175.118 174.900 -0.080 0.000 1.065 92 G CA 0.264 45.318 45.100 -0.078 0.000 0.812 92 G HN 1.227 nan 8.290 nan 0.000 0.573 93 S N 1.063 116.717 115.700 -0.078 0.000 2.512 93 S HA 0.633 5.103 4.470 -0.001 0.000 0.216 93 S C 1.585 176.184 174.600 -0.002 0.000 1.006 93 S CA 0.882 59.050 58.200 -0.054 0.000 0.915 93 S CB 0.860 64.009 63.200 -0.085 0.000 0.824 93 S HN 2.852 nan 8.310 nan 0.000 0.497 94 G N 0.586 109.382 108.800 -0.007 0.000 2.612 94 G HA2 0.277 4.237 3.960 -0.001 0.000 0.686 94 G HA3 0.277 4.237 3.960 -0.001 0.000 0.686 94 G C 0.571 175.473 174.900 0.003 0.000 1.274 94 G CA -0.398 44.705 45.100 0.006 0.000 0.849 94 G HN 0.923 nan 8.290 nan 0.000 0.595 95 A N 0.044 122.866 122.820 0.004 0.000 1.908 95 A HA 0.140 4.460 4.320 -0.001 0.000 0.218 95 A C 2.729 180.320 177.584 0.011 0.000 1.181 95 A CA 3.229 55.268 52.037 0.003 0.000 0.627 95 A CB -0.832 18.167 19.000 -0.002 0.000 0.818 95 A HN 2.408 nan 8.150 nan 0.000 0.445 96 S N -1.533 114.175 115.700 0.014 0.000 2.595 96 S HA 0.386 4.855 4.470 -0.001 0.000 0.235 96 S C 1.198 175.807 174.600 0.016 0.000 0.974 96 S CA 1.061 59.268 58.200 0.011 0.000 0.942 96 S CB -0.861 62.344 63.200 0.008 0.000 0.766 96 S HN 2.035 nan 8.310 nan 0.000 0.536 97 G N 0.530 109.346 108.800 0.027 0.000 2.501 97 G HA2 0.392 4.352 3.960 -0.001 0.000 0.213 97 G HA3 0.392 4.352 3.960 -0.001 0.000 0.213 97 G C -0.441 174.495 174.900 0.060 0.000 1.158 97 G CA -0.418 44.707 45.100 0.042 0.000 1.079 97 G HN 1.601 nan 8.290 nan 0.000 0.586 98 A N -0.990 121.900 122.820 0.118 0.000 2.605 98 A HA 0.907 5.226 4.320 -0.001 0.000 0.294 98 A C -1.077 176.661 177.584 0.257 0.000 1.062 98 A CA 0.430 52.556 52.037 0.149 0.000 0.682 98 A CB 1.559 20.603 19.000 0.073 0.000 1.278 98 A HN 2.331 nan 8.150 nan 0.000 0.410 99 I N 0.769 121.511 120.570 0.287 0.000 2.787 99 I HA 0.743 4.912 4.170 -0.001 0.000 0.294 99 I C -2.218 174.117 176.117 0.363 0.000 1.365 99 I CA -0.820 60.659 61.300 0.298 0.000 1.029 99 I CB 1.889 40.072 38.000 0.304 0.000 1.313 99 I HN 0.937 nan 8.210 nan 0.000 0.431 100 L N 5.265 126.658 121.223 0.283 0.000 2.506 100 L HA 0.548 4.888 4.340 -0.001 0.000 0.257 100 L C -1.547 175.403 176.870 0.134 0.000 0.964 100 L CA -0.208 54.799 54.840 0.279 0.000 0.836 100 L CB 2.306 44.498 42.059 0.223 0.000 1.384 100 L HN 0.571 nan 8.230 nan 0.000 0.410 101 S N 3.779 119.515 115.700 0.061 0.000 2.601 101 S HA 0.524 4.994 4.470 -0.001 0.000 0.312 101 S C -2.155 172.357 174.600 -0.147 0.000 1.107 101 S CA -1.489 56.579 58.200 -0.221 0.000 1.129 101 S CB 1.231 64.303 63.200 -0.212 0.000 0.982 101 S HN 0.532 nan 8.310 nan 0.000 0.469 102 P HA 0.040 nan 4.420 nan 0.000 0.218 102 P C -1.806 175.442 177.300 -0.086 0.000 1.149 102 P CA 0.782 63.772 63.100 -0.183 0.000 0.817 102 P CB -0.514 30.990 31.700 -0.327 0.000 0.785 103 P HA -0.048 nan 4.420 nan 0.000 0.218 103 P C 1.474 178.885 177.300 0.185 0.000 1.152 103 P CA 1.464 64.593 63.100 0.047 0.000 0.826 103 P CB -0.505 31.203 31.700 0.013 0.000 0.790 104 A N 0.290 123.196 122.820 0.144 0.000 1.858 104 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 104 A C 2.118 179.843 177.584 0.234 0.000 1.190 104 A CA 1.385 53.592 52.037 0.283 0.000 0.617 104 A CB -1.784 17.334 19.000 0.196 0.000 0.827 104 A HN 0.096 nan 8.150 nan 0.000 0.443 105 L N -1.026 120.283 121.223 0.143 0.000 1.971 105 L HA -0.183 4.157 4.340 -0.001 0.000 0.215 105 L C 2.278 179.187 176.870 0.065 0.000 1.072 105 L CA 2.518 57.424 54.840 0.111 0.000 0.758 105 L CB -1.506 40.620 42.059 0.111 0.000 0.889 105 L HN 0.506 nan 8.230 nan 0.000 0.433 106 F N 0.488 120.393 119.950 -0.076 0.000 2.065 106 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 106 F C 2.303 177.967 175.800 -0.227 0.000 1.112 106 F CA 1.974 59.897 58.000 -0.127 0.000 1.212 106 F CB -0.585 38.342 39.000 -0.121 0.000 0.975 106 F HN 0.211 nan 8.300 nan 0.000 0.476 107 G N -1.120 107.502 108.800 -0.297 0.000 2.462 107 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.220 107 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.220 107 G C 1.516 175.679 174.900 -1.228 0.000 1.121 107 G CA 1.394 45.938 45.100 -0.926 0.000 0.758 107 G HN 0.414 nan 8.290 nan 0.000 0.559 108 T N 1.301 115.477 114.554 -0.630 0.000 2.737 108 T HA -0.014 4.336 4.350 -0.001 0.000 0.265 108 T C 2.416 176.905 174.700 -0.353 0.000 1.038 108 T CA 0.879 62.748 62.100 -0.385 0.000 1.144 108 T CB -0.203 68.645 68.868 -0.034 0.000 0.866 108 T HN 0.175 nan 8.240 nan 0.000 0.434 109 L N 0.817 121.873 121.223 -0.278 0.000 2.046 109 L HA -0.080 4.260 4.340 -0.001 0.000 0.208 109 L C 2.707 179.437 176.870 -0.234 0.000 1.077 109 L CA 0.914 55.633 54.840 -0.200 0.000 0.747 109 L CB -0.768 41.174 42.059 -0.195 0.000 0.896 109 L HN 0.138 nan 8.230 nan 0.000 0.432 110 V N -0.991 118.638 119.914 -0.476 0.000 2.407 110 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 110 V C 2.614 178.580 176.094 -0.214 0.000 1.055 110 V CA 1.896 63.954 62.300 -0.403 0.000 1.049 110 V CB -0.379 31.050 31.823 -0.656 0.000 0.662 110 V HN 0.363 nan 8.190 nan 0.000 0.455 111 S N -0.483 115.007 115.700 -0.349 0.000 2.370 111 S HA -0.177 4.292 4.470 -0.001 0.000 0.226 111 S C 1.736 176.244 174.600 -0.154 0.000 1.033 111 S CA 1.758 59.785 58.200 -0.289 0.000 1.011 111 S CB -0.398 62.571 63.200 -0.384 0.000 0.852 111 S HN 0.565 nan 8.310 nan 0.000 0.457 112 F N -0.155 119.686 119.950 -0.182 0.000 2.259 112 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 112 F C 2.077 177.876 175.800 -0.003 0.000 1.088 112 F CA 0.693 58.639 58.000 -0.090 0.000 1.358 112 F CB -0.530 38.362 39.000 -0.181 0.000 1.040 112 F HN 0.237 nan 8.300 nan 0.000 0.505 113 Y N 0.612 120.928 120.300 0.027 0.000 2.114 113 Y HA -0.238 4.311 4.550 -0.000 0.000 0.284 113 Y C 2.091 178.000 175.900 0.015 0.000 1.143 113 Y CA 1.618 59.713 58.100 -0.008 0.000 1.135 113 Y CB -0.759 37.648 38.460 -0.088 0.000 0.980 113 Y HN -0.015 nan 8.280 nan 0.000 0.499 114 L N -0.290 120.909 121.223 -0.039 0.000 2.127 114 L HA -0.186 4.153 4.340 -0.001 0.000 0.211 114 L C 2.288 179.189 176.870 0.052 0.000 1.089 114 L CA 1.461 56.249 54.840 -0.086 0.000 0.757 114 L CB -0.793 41.209 42.059 -0.095 0.000 0.899 114 L HN 0.458 nan 8.230 nan 0.000 0.434 115 G N -1.465 107.435 108.800 0.166 0.000 3.233 115 G HA2 0.061 4.021 3.960 -0.001 0.000 0.227 115 G HA3 0.061 4.021 3.960 -0.001 0.000 0.227 115 G C 0.424 175.267 174.900 -0.094 0.000 1.175 115 G CA 0.439 45.533 45.100 -0.010 0.000 0.781 115 G HN 0.377 nan 8.290 nan 0.000 0.542 116 S N -0.607 115.043 115.700 -0.084 0.000 2.664 116 S HA 0.838 5.308 4.470 -0.001 0.000 0.304 116 S C -0.582 173.958 174.600 -0.099 0.000 1.099 116 S CA -0.786 57.375 58.200 -0.066 0.000 1.003 116 S CB 2.176 65.370 63.200 -0.009 0.000 1.092 116 S HN 0.028 nan 8.310 nan 0.000 0.525 117 L N 0.376 121.569 121.223 -0.050 0.000 2.283 117 L HA 0.571 4.911 4.340 -0.001 0.000 0.259 117 L C -0.566 176.299 176.870 -0.007 0.000 1.027 117 L CA -1.290 53.526 54.840 -0.039 0.000 0.828 117 L CB 1.254 43.297 42.059 -0.026 0.000 1.380 117 L HN 0.567 nan 8.230 nan 0.000 0.425 118 D N 0.915 121.319 120.400 0.006 0.000 2.378 118 D HA 0.065 4.705 4.640 -0.001 0.000 0.238 118 D C -1.636 174.675 176.300 0.018 0.000 1.180 118 D CA -0.929 53.086 54.000 0.025 0.000 0.895 118 D CB 0.704 41.522 40.800 0.029 0.000 1.192 118 D HN 0.264 nan 8.370 nan 0.000 0.438 119 P HA -0.005 nan 4.420 nan 0.000 0.233 119 P C 0.923 178.247 177.300 0.040 0.000 1.167 119 P CA 0.689 63.807 63.100 0.031 0.000 0.770 119 P CB 0.272 31.987 31.700 0.024 0.000 0.837 120 T N -0.734 113.841 114.554 0.035 0.000 2.867 120 T HA -0.051 4.299 4.350 -0.001 0.000 0.268 120 T C 1.854 176.603 174.700 0.081 0.000 1.057 120 T CA 1.391 63.517 62.100 0.043 0.000 1.136 120 T CB -0.526 68.361 68.868 0.030 0.000 0.874 120 T HN 0.069 nan 8.240 nan 0.000 0.466 121 A N 2.035 124.909 122.820 0.090 0.000 1.855 121 A HA -0.087 4.233 4.320 -0.001 0.000 0.215 121 A C 2.606 180.339 177.584 0.248 0.000 1.191 121 A CA 2.045 54.188 52.037 0.176 0.000 0.613 121 A CB -0.999 18.039 19.000 0.062 0.000 0.829 121 A HN 0.586 nan 8.150 nan 0.000 0.442 122 S N -0.277 115.519 115.700 0.160 0.000 2.382 122 S HA -0.274 4.195 4.470 -0.001 0.000 0.228 122 S C 1.947 176.607 174.600 0.099 0.000 1.027 122 S CA 1.571 59.852 58.200 0.135 0.000 0.991 122 S CB -0.618 62.640 63.200 0.097 0.000 0.823 122 S HN 0.663 nan 8.310 nan 0.000 0.469 123 Q N 0.817 120.667 119.800 0.083 0.000 2.124 123 Q HA 0.094 4.434 4.340 -0.001 0.000 0.202 123 Q C 2.279 178.312 176.000 0.054 0.000 0.977 123 Q CA 1.419 57.258 55.803 0.060 0.000 0.850 123 Q CB -0.472 28.292 28.738 0.044 0.000 0.901 123 Q HN 0.545 nan 8.270 nan 0.000 0.429 124 L N 0.306 121.571 121.223 0.070 0.000 2.083 124 L HA -0.243 4.097 4.340 -0.001 0.000 0.209 124 L C 2.588 179.447 176.870 -0.020 0.000 1.083 124 L CA 1.274 56.137 54.840 0.038 0.000 0.752 124 L CB -0.290 41.825 42.059 0.095 0.000 0.899 124 L HN 0.310 nan 8.230 nan 0.000 0.433 125 Q N -0.637 119.147 119.800 -0.028 0.000 2.079 125 Q HA -0.185 4.155 4.340 -0.001 0.000 0.200 125 Q C 2.086 178.087 176.000 0.001 0.000 0.974 125 Q CA 2.042 57.794 55.803 -0.085 0.000 0.840 125 Q CB 0.063 28.768 28.738 -0.054 0.000 0.898 125 Q HN 0.451 nan 8.270 nan 0.000 0.430 126 T N 1.338 115.916 114.554 0.039 0.000 2.803 126 T HA -0.170 4.180 4.350 -0.001 0.000 0.269 126 T C 1.605 176.353 174.700 0.079 0.000 1.052 126 T CA 1.027 63.163 62.100 0.060 0.000 1.136 126 T CB -0.195 68.709 68.868 0.061 0.000 0.864 126 T HN 0.188 nan 8.240 nan 0.000 0.467 127 L N 0.763 122.031 121.223 0.075 0.000 2.141 127 L HA 0.177 4.516 4.340 -0.001 0.000 0.209 127 L C 1.530 178.508 176.870 0.179 0.000 1.094 127 L CA 1.476 56.382 54.840 0.111 0.000 0.763 127 L CB -0.489 41.609 42.059 0.066 0.000 0.908 127 L HN 0.257 nan 8.230 nan 0.000 0.437 128 L N -0.265 121.033 121.223 0.124 0.000 2.672 128 L HA 0.101 4.440 4.340 -0.001 0.000 0.236 128 L C 0.444 177.344 176.870 0.050 0.000 1.186 128 L CA 0.104 55.040 54.840 0.161 0.000 0.977 128 L CB -0.926 41.205 42.059 0.119 0.000 1.203 128 L HN 0.243 nan 8.230 nan 0.000 0.448 129 D N 0.678 121.099 120.400 0.035 0.000 2.737 129 D HA -0.185 4.455 4.640 -0.001 0.000 0.233 129 D C -0.577 175.717 176.300 -0.010 0.000 1.155 129 D CA 0.521 54.451 54.000 -0.117 0.000 0.667 129 D CB -0.551 39.829 40.800 -0.700 0.000 1.060 129 D HN 0.051 nan 8.370 nan 0.000 0.427 130 V N 1.830 121.781 119.914 0.062 0.000 2.325 130 V HA 0.403 4.523 4.120 -0.001 0.000 0.280 130 V C -1.727 174.443 176.094 0.125 0.000 1.016 130 V CA -1.290 61.098 62.300 0.147 0.000 0.818 130 V CB 1.643 33.528 31.823 0.103 0.000 1.019 130 V HN 0.099 nan 8.190 nan 0.000 0.434 131 P HA 0.139 nan 4.420 nan 0.000 0.270 131 P C -0.624 176.745 177.300 0.115 0.000 1.223 131 P CA 0.090 63.254 63.100 0.106 0.000 0.785 131 P CB 1.187 32.944 31.700 0.094 0.000 0.923 132 V N 2.842 122.812 119.914 0.093 0.000 2.357 132 V HA 0.229 4.348 4.120 -0.001 0.000 0.284 132 V C 0.654 176.792 176.094 0.072 0.000 1.018 132 V CA -0.624 61.736 62.300 0.099 0.000 0.841 132 V CB 0.965 32.846 31.823 0.098 0.000 0.991 132 V HN 0.397 nan 8.190 nan 0.000 0.437 133 K N 4.244 124.683 120.400 0.065 0.000 2.310 133 K HA 0.287 4.606 4.320 -0.001 0.000 0.290 133 K C 0.140 176.765 176.600 0.042 0.000 1.077 133 K CA -0.196 56.115 56.287 0.040 0.000 0.922 133 K CB 0.891 33.404 32.500 0.022 0.000 1.057 133 K HN 0.678 nan 8.250 nan 0.000 0.479 134 E N 0.633 120.854 120.200 0.035 0.000 2.481 134 E HA -0.067 4.282 4.350 -0.001 0.000 0.263 134 E C 0.900 177.516 176.600 0.025 0.000 0.992 134 E CA 0.619 57.038 56.400 0.031 0.000 0.938 134 E CB 0.303 30.017 29.700 0.025 0.000 0.933 134 E HN 0.852 nan 8.360 nan 0.000 0.453 135 G N 2.953 111.768 108.800 0.025 0.000 2.198 135 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.260 135 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.260 135 G C -0.405 174.507 174.900 0.021 0.000 1.025 135 G CA 0.532 45.644 45.100 0.019 0.000 0.769 135 G HN 0.613 nan 8.290 nan 0.000 0.507 136 D N -1.794 118.625 120.400 0.031 0.000 2.736 136 D HA 0.480 5.120 4.640 -0.001 0.000 0.243 136 D C 1.026 177.359 176.300 0.056 0.000 1.304 136 D CA 0.199 54.220 54.000 0.036 0.000 0.934 136 D CB 0.653 41.472 40.800 0.032 0.000 1.382 136 D HN 0.235 nan 8.370 nan 0.000 0.571 137 c N 2.662 121.290 118.600 0.047 0.000 2.467 137 c HA -0.007 4.563 4.570 -0.001 0.000 0.279 137 c C 2.424 176.588 174.090 0.124 0.000 1.347 137 c CA 1.464 57.824 56.329 0.052 0.000 1.748 137 c CB -1.141 41.361 42.510 -0.013 0.000 1.977 137 c HN 0.783 nan 8.230 nan 0.000 0.501 138 T N -0.678 113.943 114.554 0.111 0.000 3.155 138 T HA -0.062 4.288 4.350 -0.001 0.000 0.264 138 T C 1.232 176.025 174.700 0.155 0.000 1.160 138 T CA 1.377 63.567 62.100 0.151 0.000 1.075 138 T CB -0.693 68.225 68.868 0.083 0.000 0.921 138 T HN 0.728 nan 8.240 nan 0.000 0.533 139 S N 0.580 116.370 115.700 0.151 0.000 2.552 139 S HA 0.372 4.842 4.470 -0.001 0.000 0.246 139 S C 0.269 175.108 174.600 0.399 0.000 1.019 139 S CA -0.999 57.316 58.200 0.193 0.000 1.045 139 S CB -0.092 63.147 63.200 0.065 0.000 0.784 139 S HN 0.224 nan 8.310 nan 0.000 0.453 140 R N 1.146 121.907 120.500 0.436 0.000 2.514 140 R HA 0.459 4.798 4.340 -0.001 0.000 0.301 140 R C -0.388 176.087 176.300 0.291 0.000 0.962 140 R CA -0.764 55.571 56.100 0.391 0.000 0.882 140 R CB 1.311 31.875 30.300 0.440 0.000 1.143 140 R HN 0.385 nan 8.270 nan 0.000 0.452 141 L N 2.103 123.348 121.223 0.036 0.000 2.453 141 L HA 0.009 4.348 4.340 -0.001 0.000 0.272 141 L C 0.785 177.601 176.870 -0.088 0.000 1.182 141 L CA 0.120 54.823 54.840 -0.228 0.000 0.858 141 L CB 0.231 42.027 42.059 -0.438 0.000 1.120 141 L HN 0.375 nan 8.230 nan 0.000 0.474 142 D N 2.676 122.878 120.400 -0.330 0.000 2.365 142 D HA 0.089 4.728 4.640 -0.001 0.000 0.237 142 D C 1.079 177.337 176.300 -0.070 0.000 1.190 142 D CA -0.000 53.757 54.000 -0.405 0.000 0.867 142 D CB 1.750 42.289 40.800 -0.435 0.000 1.050 142 D HN 0.649 nan 8.370 nan 0.000 0.491 143 G N 3.131 111.991 108.800 0.101 0.000 2.442 143 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.219 143 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.219 143 G C 1.196 176.048 174.900 -0.082 0.000 1.141 143 G CA 0.875 46.006 45.100 0.051 0.000 0.763 143 G HN 0.583 nan 8.290 nan 0.000 0.554 144 H N 0.287 119.347 119.070 -0.017 0.000 2.357 144 H HA 0.110 4.666 4.556 -0.000 0.000 0.301 144 H C 2.588 177.900 175.328 -0.027 0.000 1.082 144 H CA 1.428 57.463 56.048 -0.021 0.000 1.342 144 H CB 0.036 29.791 29.762 -0.012 0.000 1.389 144 H HN 0.284 nan 8.280 nan 0.000 0.511 145 K N 0.134 120.583 120.400 0.081 0.000 2.147 145 K HA -0.091 4.228 4.320 -0.001 0.000 0.205 145 K C 2.031 178.632 176.600 0.001 0.000 1.049 145 K CA 1.064 57.364 56.287 0.022 0.000 0.936 145 K CB 0.032 32.523 32.500 -0.016 0.000 0.722 145 K HN 0.075 nan 8.250 nan 0.000 0.446 146 V N 1.849 121.749 119.914 -0.023 0.000 2.229 146 V HA -0.232 3.887 4.120 -0.001 0.000 0.243 146 V C 2.248 178.350 176.094 0.013 0.000 1.042 146 V CA 1.528 63.818 62.300 -0.017 0.000 1.000 146 V CB -0.429 31.351 31.823 -0.072 0.000 0.637 146 V HN 0.289 nan 8.190 nan 0.000 0.446 147 L N 0.081 121.290 121.223 -0.022 0.000 2.079 147 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 147 L C 2.759 179.659 176.870 0.050 0.000 1.081 147 L CA 1.764 56.609 54.840 0.008 0.000 0.752 147 L CB -0.982 41.054 42.059 -0.038 0.000 0.896 147 L HN 0.429 nan 8.230 nan 0.000 0.433 148 A N 0.190 123.033 122.820 0.039 0.000 1.883 148 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 148 A C 2.548 180.156 177.584 0.040 0.000 1.186 148 A CA 1.923 53.985 52.037 0.042 0.000 0.624 148 A CB -0.649 18.375 19.000 0.040 0.000 0.822 148 A HN 0.422 nan 8.150 nan 0.000 0.444 149 A N -0.935 121.907 122.820 0.036 0.000 1.898 149 A HA -0.007 4.313 4.320 -0.001 0.000 0.216 149 A C 2.070 179.681 177.584 0.046 0.000 1.181 149 A CA 1.683 53.739 52.037 0.032 0.000 0.620 149 A CB -0.557 18.456 19.000 0.021 0.000 0.819 149 A HN 0.572 nan 8.150 nan 0.000 0.442 150 L N -0.396 120.872 121.223 0.076 0.000 2.201 150 L HA -0.017 4.322 4.340 -0.001 0.000 0.212 150 L C 2.315 179.252 176.870 0.111 0.000 1.105 150 L CA 1.956 56.863 54.840 0.112 0.000 0.775 150 L CB -0.616 41.553 42.059 0.182 0.000 0.913 150 L HN 0.476 nan 8.230 nan 0.000 0.440 151 R N -1.076 119.478 120.500 0.091 0.000 2.119 151 R HA 0.009 4.349 4.340 -0.001 0.000 0.222 151 R C 2.225 178.552 176.300 0.045 0.000 1.088 151 R CA 1.011 57.152 56.100 0.069 0.000 0.984 151 R CB -0.211 30.119 30.300 0.049 0.000 0.884 151 R HN 0.378 nan 8.270 nan 0.000 0.447 152 A N 0.689 123.531 122.820 0.037 0.000 1.908 152 A HA -0.162 4.158 4.320 -0.001 0.000 0.218 152 A C 2.216 179.819 177.584 0.031 0.000 1.181 152 A CA 1.805 53.857 52.037 0.025 0.000 0.627 152 A CB -0.940 18.072 19.000 0.020 0.000 0.818 152 A HN 0.343 nan 8.150 nan 0.000 0.445 153 V N -2.275 117.663 119.914 0.041 0.000 2.490 153 V HA -0.279 3.840 4.120 -0.001 0.000 0.250 153 V C 1.982 178.144 176.094 0.115 0.000 1.061 153 V CA 2.414 64.746 62.300 0.053 0.000 1.064 153 V CB -0.955 30.877 31.823 0.015 0.000 0.670 153 V HN 0.635 nan 8.190 nan 0.000 0.461 154 Q N 0.716 120.578 119.800 0.104 0.000 2.212 154 Q HA 0.112 4.452 4.340 -0.001 0.000 0.199 154 Q C 2.383 178.396 176.000 0.022 0.000 0.950 154 Q CA 1.082 56.937 55.803 0.086 0.000 0.863 154 Q CB -0.409 28.377 28.738 0.080 0.000 0.944 154 Q HN 0.758 nan 8.270 nan 0.000 0.465 155 G N 1.335 110.142 108.800 0.012 0.000 2.469 155 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.219 155 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.219 155 G C 1.392 176.284 174.900 -0.014 0.000 1.150 155 G CA 0.663 45.752 45.100 -0.018 0.000 0.763 155 G HN 0.175 nan 8.290 nan 0.000 0.561 156 L N -0.494 120.735 121.223 0.010 0.000 2.072 156 L HA 0.030 4.369 4.340 -0.001 0.000 0.205 156 L C 2.649 179.527 176.870 0.013 0.000 1.079 156 L CA 0.282 55.130 54.840 0.013 0.000 0.752 156 L CB -0.453 41.619 42.059 0.021 0.000 0.906 156 L HN 0.198 nan 8.230 nan 0.000 0.436 157 L N 0.252 121.486 121.223 0.018 0.000 2.089 157 L HA -0.193 4.146 4.340 -0.001 0.000 0.213 157 L C 2.201 179.066 176.870 -0.009 0.000 1.079 157 L CA 2.234 57.057 54.840 -0.028 0.000 0.758 157 L CB -0.368 41.577 42.059 -0.190 0.000 0.891 157 L HN 0.256 nan 8.230 nan 0.000 0.433 158 V N -5.704 114.206 119.914 -0.008 0.000 3.661 158 V HA 0.167 4.286 4.120 -0.001 0.000 0.271 158 V C 1.261 177.351 176.094 -0.008 0.000 1.315 158 V CA 0.370 62.679 62.300 0.016 0.000 1.072 158 V CB -0.846 30.953 31.823 -0.039 0.000 0.830 158 V HN 0.367 nan 8.190 nan 0.000 0.443 159 T N 2.373 116.915 114.554 -0.020 0.000 2.871 159 T HA 0.115 4.464 4.350 -0.001 0.000 0.296 159 T C 0.646 175.349 174.700 0.005 0.000 0.998 159 T CA 0.925 63.015 62.100 -0.017 0.000 1.162 159 T CB -0.253 68.607 68.868 -0.012 0.000 0.947 159 T HN 0.774 nan 8.240 nan 0.000 0.536 160 Q N 1.879 121.683 119.800 0.007 0.000 2.457 160 Q HA -0.178 4.162 4.340 -0.001 0.000 0.283 160 Q C 0.736 176.754 176.000 0.031 0.000 1.234 160 Q CA 0.818 56.633 55.803 0.019 0.000 0.877 160 Q CB -1.786 26.962 28.738 0.017 0.000 1.250 160 Q HN 0.904 nan 8.270 nan 0.000 0.481 161 G N -0.440 108.385 108.800 0.042 0.000 3.651 161 G HA2 0.508 4.467 3.960 -0.001 0.000 0.279 161 G HA3 0.508 4.467 3.960 -0.001 0.000 0.279 161 G C 0.499 175.438 174.900 0.065 0.000 1.024 161 G CA 0.617 45.749 45.100 0.054 0.000 0.813 161 G HN 0.774 nan 8.290 nan 0.000 0.518 162 G N 0.089 108.928 108.800 0.066 0.000 2.663 162 G HA2 0.255 4.215 3.960 -0.001 0.000 0.686 162 G HA3 0.255 4.215 3.960 -0.001 0.000 0.686 162 G C 0.245 175.219 174.900 0.123 0.000 1.288 162 G CA -0.120 45.020 45.100 0.067 0.000 0.836 162 G HN 1.366 nan 8.290 nan 0.000 0.584 163 S N -0.716 115.039 115.700 0.092 0.000 2.626 163 S HA 0.555 5.025 4.470 -0.001 0.000 0.257 163 S C 2.134 176.798 174.600 0.106 0.000 1.288 163 S CA 0.976 59.249 58.200 0.122 0.000 0.980 163 S CB 1.156 64.394 63.200 0.064 0.000 0.975 163 S HN 2.412 nan 8.310 nan 0.000 0.577 164 S N 0.609 116.380 115.700 0.119 0.000 2.419 164 S HA -0.167 4.303 4.470 -0.001 0.000 0.235 164 S C 1.890 176.417 174.600 -0.121 0.000 1.019 164 S CA 1.296 59.452 58.200 -0.074 0.000 0.982 164 S CB -1.300 61.922 63.200 0.036 0.000 0.789 164 S HN 1.042 nan 8.310 nan 0.000 0.490 165 S N 1.326 116.999 115.700 -0.045 0.000 2.439 165 S HA 0.058 4.528 4.470 -0.001 0.000 0.224 165 S C 1.945 176.518 174.600 -0.044 0.000 1.029 165 S CA 0.215 58.390 58.200 -0.043 0.000 0.946 165 S CB -0.480 62.711 63.200 -0.015 0.000 0.797 165 S HN 0.635 nan 8.310 nan 0.000 0.504 166 Q N 0.898 120.680 119.800 -0.030 0.000 2.302 166 Q HA 0.129 4.469 4.340 -0.001 0.000 0.202 166 Q C 0.767 176.745 176.000 -0.036 0.000 0.936 166 Q CA 0.639 56.431 55.803 -0.018 0.000 0.886 166 Q CB -0.226 28.516 28.738 0.006 0.000 0.986 166 Q HN 0.507 nan 8.270 nan 0.000 0.487 167 T N 2.472 116.983 114.554 -0.072 0.000 2.928 167 T HA 0.032 4.382 4.350 -0.001 0.000 0.305 167 T C -1.755 172.872 174.700 -0.122 0.000 1.035 167 T CA -1.284 60.758 62.100 -0.098 0.000 1.145 167 T CB 0.787 69.519 68.868 -0.227 0.000 0.963 167 T HN 0.063 nan 8.240 nan 0.000 0.545 168 P HA 0.249 nan 4.420 nan 0.000 0.255 168 P C -0.435 176.763 177.300 -0.170 0.000 1.248 168 P CA 0.083 63.124 63.100 -0.098 0.000 0.807 168 P CB 0.230 31.908 31.700 -0.037 0.000 1.150 169 L N -0.061 121.034 121.223 -0.212 0.000 2.386 169 L HA 0.452 4.791 4.340 -0.001 0.000 0.271 169 L C -0.357 176.266 176.870 -0.412 0.000 0.993 169 L CA -0.585 54.041 54.840 -0.357 0.000 0.819 169 L CB 2.481 44.417 42.059 -0.205 0.000 1.294 169 L HN -0.244 nan 8.230 nan 0.000 0.414 170 L N 3.272 124.162 121.223 -0.555 0.000 2.409 170 L HA 0.616 4.955 4.340 -0.001 0.000 0.272 170 L C -0.797 175.807 176.870 -0.442 0.000 0.980 170 L CA -0.346 54.253 54.840 -0.402 0.000 0.826 170 L CB 1.995 43.852 42.059 -0.336 0.000 1.268 170 L HN 0.567 nan 8.230 nan 0.000 0.407 171 Q N 2.340 122.046 119.800 -0.156 0.000 2.274 171 Q HA 0.586 4.926 4.340 -0.001 0.000 0.268 171 Q C -1.729 174.311 176.000 0.068 0.000 1.015 171 Q CA -0.348 55.446 55.803 -0.014 0.000 0.775 171 Q CB 2.407 31.256 28.738 0.184 0.000 1.256 171 Q HN 0.684 nan 8.270 nan 0.000 0.442 172 S N 3.966 119.723 115.700 0.094 0.000 2.536 172 S HA 0.626 5.096 4.470 -0.001 0.000 0.287 172 S C -0.683 174.068 174.600 0.252 0.000 1.101 172 S CA -0.573 57.742 58.200 0.191 0.000 0.950 172 S CB 1.171 64.564 63.200 0.322 0.000 1.056 172 S HN 0.567 nan 8.310 nan 0.000 0.481 173 I N 2.888 123.576 120.570 0.197 0.000 2.420 173 I HA 0.384 4.553 4.170 -0.001 0.000 0.282 173 I C -0.346 175.865 176.117 0.156 0.000 1.019 173 I CA -0.942 60.457 61.300 0.165 0.000 1.130 173 I CB 1.500 39.461 38.000 -0.066 0.000 1.262 173 I HN 0.442 nan 8.210 nan 0.000 0.454 174 V N 5.835 125.951 119.914 0.337 0.000 2.472 174 V HA 0.645 4.764 4.120 -0.001 0.000 0.290 174 V C -0.492 175.781 176.094 0.300 0.000 1.037 174 V CA -0.345 62.115 62.300 0.267 0.000 0.908 174 V CB 1.948 33.928 31.823 0.261 0.000 0.985 174 V HN 0.388 nan 8.190 nan 0.000 0.454 175 V N 5.075 125.088 119.914 0.164 0.000 2.409 175 V HA 0.735 4.855 4.120 -0.001 0.000 0.291 175 V C 0.854 176.973 176.094 0.042 0.000 1.020 175 V CA 0.191 62.534 62.300 0.071 0.000 0.848 175 V CB 1.423 33.174 31.823 -0.120 0.000 0.990 175 V HN 1.227 nan 8.190 nan 0.000 0.430 176 G N 4.348 113.185 108.800 0.060 0.000 2.347 176 G HA2 0.560 4.520 3.960 -0.001 0.000 0.314 176 G HA3 0.560 4.520 3.960 -0.001 0.000 0.314 176 G C -1.087 173.362 174.900 -0.751 0.000 1.126 176 G CA -0.364 44.566 45.100 -0.284 0.000 0.929 176 G HN 0.518 nan 8.290 nan 0.000 0.441 177 L N 3.617 124.333 121.223 -0.844 0.000 2.313 177 L HA 0.566 4.905 4.340 -0.001 0.000 0.273 177 L C -1.210 175.313 176.870 -0.577 0.000 1.028 177 L CA -0.960 53.542 54.840 -0.562 0.000 0.871 177 L CB 0.223 42.103 42.059 -0.297 0.000 1.242 177 L HN 0.361 nan 8.230 nan 0.000 0.434 178 F N 2.553 122.496 119.950 -0.012 0.000 2.313 178 F HA 0.445 4.972 4.527 -0.000 0.000 0.369 178 F C 0.877 176.644 175.800 -0.055 0.000 1.109 178 F CA -0.732 57.246 58.000 -0.037 0.000 1.132 178 F CB 1.019 40.002 39.000 -0.028 0.000 1.291 178 F HN 0.414 nan 8.300 nan 0.000 0.496 179 T N 0.327 114.921 114.554 0.067 0.000 2.875 179 T HA 0.796 5.146 4.350 -0.001 0.000 0.284 179 T C 0.311 175.018 174.700 0.010 0.000 0.995 179 T CA -0.926 61.157 62.100 -0.028 0.000 1.060 179 T CB 1.534 70.436 68.868 0.057 0.000 0.967 179 T HN 0.700 nan 8.240 nan 0.000 0.476 180 A N 4.151 126.944 122.820 -0.044 0.000 2.492 180 A HA 0.476 4.795 4.320 -0.001 0.000 0.236 180 A C -2.194 175.428 177.584 0.063 0.000 1.078 180 A CA -1.102 50.940 52.037 0.008 0.000 0.773 180 A CB -0.968 18.026 19.000 -0.009 0.000 1.023 180 A HN 0.753 nan 8.150 nan 0.000 0.504 181 P HA 0.327 nan 4.420 nan 0.000 0.268 181 P C 1.068 178.411 177.300 0.072 0.000 1.204 181 P CA 1.427 64.559 63.100 0.054 0.000 0.768 181 P CB 0.826 32.546 31.700 0.033 0.000 0.842 182 G N 2.709 111.549 108.800 0.065 0.000 2.527 182 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.218 182 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.218 182 G C 0.122 175.059 174.900 0.061 0.000 1.177 182 G CA -0.205 44.927 45.100 0.053 0.000 0.695 182 G HN 0.570 nan 8.290 nan 0.000 0.517 183 F N 4.514 124.439 119.950 -0.042 0.000 2.612 183 F HA 0.461 4.988 4.527 -0.000 0.000 0.389 183 F C 1.063 176.800 175.800 -0.106 0.000 1.055 183 F CA 0.291 58.255 58.000 -0.061 0.000 1.232 183 F CB 0.428 39.397 39.000 -0.052 0.000 1.044 183 F HN 0.282 nan 8.300 nan 0.000 0.560 184 R N 7.433 127.512 120.500 -0.702 0.000 2.343 184 R HA 0.468 4.808 4.340 -0.001 0.000 0.320 184 R C -1.031 174.860 176.300 -0.682 0.000 0.956 184 R CA -0.975 54.807 56.100 -0.530 0.000 0.836 184 R CB 1.348 31.445 30.300 -0.339 0.000 1.151 184 R HN 0.636 nan 8.270 nan 0.000 0.450 185 L N 2.827 123.725 121.223 -0.541 0.000 2.371 185 L HA 0.277 4.617 4.340 -0.001 0.000 0.272 185 L C 0.399 177.181 176.870 -0.147 0.000 1.124 185 L CA -0.376 54.266 54.840 -0.331 0.000 0.816 185 L CB 0.745 42.592 42.059 -0.354 0.000 1.129 185 L HN 0.371 nan 8.230 nan 0.000 0.448 186 K N 2.023 122.437 120.400 0.023 0.000 2.322 186 K HA 0.038 4.358 4.320 -0.001 0.000 0.283 186 K C 1.035 177.825 176.600 0.316 0.000 1.042 186 K CA -0.278 56.095 56.287 0.144 0.000 0.958 186 K CB 0.824 33.382 32.500 0.098 0.000 0.984 186 K HN 0.546 nan 8.250 nan 0.000 0.473 187 H N 2.555 121.772 119.070 0.246 0.000 2.289 187 H HA -0.198 4.357 4.556 -0.000 0.000 0.296 187 H C 1.647 177.080 175.328 0.175 0.000 1.091 187 H CA 2.624 58.810 56.048 0.229 0.000 1.274 187 H CB 0.278 30.117 29.762 0.129 0.000 1.364 187 H HN 0.746 nan 8.280 nan 0.000 0.490 188 S N 0.146 115.900 115.700 0.091 0.000 2.387 188 S HA -0.225 4.244 4.470 -0.001 0.000 0.230 188 S C 2.165 176.807 174.600 0.072 0.000 1.035 188 S CA 1.512 59.734 58.200 0.037 0.000 1.014 188 S CB -1.178 62.098 63.200 0.127 0.000 0.836 188 S HN 0.471 nan 8.310 nan 0.000 0.466 189 F N 2.466 122.418 119.950 0.004 0.000 2.113 189 F HA 0.053 4.580 4.527 -0.001 0.000 0.297 189 F C 2.285 178.083 175.800 -0.004 0.000 1.103 189 F CA 1.151 59.151 58.000 -0.000 0.000 1.248 189 F CB -0.539 38.469 39.000 0.014 0.000 0.999 189 F HN 0.084 nan 8.300 nan 0.000 0.475 190 V N -0.027 119.893 119.914 0.010 0.000 2.515 190 V HA -0.263 3.857 4.120 -0.001 0.000 0.250 190 V C 2.274 178.256 176.094 -0.187 0.000 1.058 190 V CA 1.804 64.057 62.300 -0.078 0.000 1.064 190 V CB -0.725 31.209 31.823 0.185 0.000 0.675 190 V HN 0.308 nan 8.190 nan 0.000 0.461 191 Q N 0.292 119.949 119.800 -0.238 0.000 2.061 191 Q HA -0.175 4.165 4.340 -0.001 0.000 0.204 191 Q C 2.491 178.403 176.000 -0.146 0.000 0.984 191 Q CA 2.298 57.961 55.803 -0.233 0.000 0.846 191 Q CB -0.415 28.137 28.738 -0.310 0.000 0.902 191 Q HN 0.584 nan 8.270 nan 0.000 0.421 192 S N -0.285 115.316 115.700 -0.164 0.000 2.356 192 S HA -0.134 4.336 4.470 -0.001 0.000 0.223 192 S C 1.641 176.086 174.600 -0.258 0.000 1.032 192 S CA 1.024 59.092 58.200 -0.220 0.000 1.005 192 S CB -0.335 62.663 63.200 -0.336 0.000 0.867 192 S HN 0.254 nan 8.310 nan 0.000 0.449 193 L N 1.676 122.686 121.223 -0.356 0.000 2.081 193 L HA -0.099 4.241 4.340 -0.001 0.000 0.212 193 L C 2.501 179.324 176.870 -0.079 0.000 1.080 193 L CA 1.676 56.388 54.840 -0.213 0.000 0.754 193 L CB -1.114 40.783 42.059 -0.270 0.000 0.893 193 L HN 0.320 nan 8.230 nan 0.000 0.433 194 A N -1.070 121.681 122.820 -0.115 0.000 2.076 194 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 194 A C 2.227 179.782 177.584 -0.049 0.000 1.160 194 A CA 1.386 53.368 52.037 -0.092 0.000 0.653 194 A CB -0.676 18.264 19.000 -0.101 0.000 0.801 194 A HN 0.459 nan 8.150 nan 0.000 0.455 195 L N -2.157 119.052 121.223 -0.023 0.000 2.056 195 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 195 L C 2.462 179.383 176.870 0.083 0.000 1.078 195 L CA 1.314 56.164 54.840 0.017 0.000 0.749 195 L CB -0.720 41.346 42.059 0.012 0.000 0.901 195 L HN 0.451 nan 8.230 nan 0.000 0.433 196 F N 0.651 120.557 119.950 -0.073 0.000 2.134 196 F HA -0.096 4.431 4.527 -0.001 0.000 0.299 196 F C 1.075 176.873 175.800 -0.003 0.000 1.097 196 F CA 1.328 59.308 58.000 -0.033 0.000 1.264 196 F CB -0.002 38.984 39.000 -0.024 0.000 1.001 196 F HN 0.016 nan 8.300 nan 0.000 0.479 197 T N 0.340 114.779 114.554 -0.191 0.000 3.393 197 T HA 0.256 4.606 4.350 -0.001 0.000 0.359 197 T C -2.263 172.330 174.700 -0.178 0.000 1.380 197 T CA -0.932 61.003 62.100 -0.275 0.000 1.132 197 T CB 1.580 70.167 68.868 -0.468 0.000 1.284 197 T HN -0.185 nan 8.240 nan 0.000 0.477 198 P HA 0.123 nan 4.420 nan 0.000 0.217 198 P C 0.627 177.800 177.300 -0.211 0.000 1.151 198 P CA 0.437 63.451 63.100 -0.144 0.000 0.828 198 P CB -0.162 31.478 31.700 -0.100 0.000 0.788 199 A N 0.842 123.549 122.820 -0.189 0.000 3.051 199 A HA 0.190 4.510 4.320 -0.001 0.000 0.275 199 A C 0.081 177.434 177.584 -0.385 0.000 1.900 199 A CA 0.098 51.983 52.037 -0.253 0.000 1.496 199 A CB -1.757 17.227 19.000 -0.028 0.000 1.013 199 A HN 0.153 nan 8.150 nan 0.000 0.611 200 L N 1.397 122.255 121.223 -0.608 0.000 2.334 200 L HA 0.805 5.145 4.340 -0.001 0.000 0.276 200 L C -1.213 175.197 176.870 -0.766 0.000 1.014 200 L CA -0.557 53.994 54.840 -0.482 0.000 0.815 200 L CB 1.292 43.176 42.059 -0.293 0.000 1.268 200 L HN 0.381 nan 8.230 nan 0.000 0.428 201 F N 5.306 125.213 119.950 -0.070 0.000 2.959 201 F HA 0.386 4.912 4.527 -0.001 0.000 0.379 201 F C -2.294 173.387 175.800 -0.199 0.000 1.215 201 F CA -1.538 56.438 58.000 -0.039 0.000 1.190 201 F CB 1.088 40.168 39.000 0.133 0.000 1.574 201 F HN 0.305 nan 8.300 nan 0.000 0.575 202 P HA 0.378 nan 4.420 nan 0.000 0.287 202 P C -0.469 176.814 177.300 -0.029 0.000 1.281 202 P CA -0.334 62.733 63.100 -0.056 0.000 0.781 202 P CB 1.407 33.169 31.700 0.103 0.000 0.903 203 R N 1.382 121.811 120.500 -0.119 0.000 2.725 203 R HA 0.503 4.843 4.340 -0.001 0.000 0.277 203 R C -0.076 176.255 176.300 0.052 0.000 0.987 203 R CA -0.725 55.355 56.100 -0.032 0.000 0.901 203 R CB 2.112 32.331 30.300 -0.135 0.000 1.207 203 R HN 0.545 nan 8.270 nan 0.000 0.463 204 S N 2.155 117.881 115.700 0.044 0.000 2.565 204 S HA 0.874 5.343 4.470 -0.001 0.000 0.290 204 S C 0.192 174.814 174.600 0.036 0.000 1.150 204 S CA -0.762 57.470 58.200 0.053 0.000 1.058 204 S CB 1.285 64.512 63.200 0.045 0.000 1.032 204 S HN 0.589 nan 8.310 nan 0.000 0.510 205 L N -1.182 120.061 121.223 0.033 0.000 2.724 205 L HA 0.571 4.911 4.340 -0.001 0.000 0.258 205 L C -1.613 175.259 176.870 0.003 0.000 0.967 205 L CA -1.040 53.803 54.840 0.004 0.000 0.891 205 L CB 1.479 43.521 42.059 -0.029 0.000 1.456 205 L HN 0.578 nan 8.230 nan 0.000 0.416 206 D N 1.720 122.117 120.400 -0.004 0.000 2.450 206 D HA 0.243 4.883 4.640 -0.001 0.000 0.247 206 D C 0.365 176.657 176.300 -0.013 0.000 1.162 206 D CA 0.348 54.345 54.000 -0.005 0.000 0.879 206 D CB 1.322 42.118 40.800 -0.005 0.000 1.163 206 D HN 0.699 nan 8.370 nan 0.000 0.472 207 L N 2.821 124.038 121.223 -0.010 0.000 2.609 207 L HA -0.005 4.335 4.340 -0.001 0.000 0.230 207 L C 2.237 179.100 176.870 -0.012 0.000 1.087 207 L CA 0.081 54.912 54.840 -0.015 0.000 0.874 207 L CB 0.002 42.054 42.059 -0.012 0.000 1.114 207 L HN 0.374 nan 8.230 nan 0.000 0.488 208 S N -0.955 114.741 115.700 -0.008 0.000 2.355 208 S HA -0.136 4.334 4.470 -0.001 0.000 0.216 208 S C 2.053 176.649 174.600 -0.006 0.000 1.037 208 S CA 1.017 59.214 58.200 -0.005 0.000 0.955 208 S CB -0.814 62.385 63.200 -0.002 0.000 0.877 208 S HN 0.397 nan 8.310 nan 0.000 0.488 209 T N -1.180 113.371 114.554 -0.005 0.000 2.977 209 T HA 0.012 4.362 4.350 -0.001 0.000 0.271 209 T C 0.275 174.971 174.700 -0.006 0.000 1.105 209 T CA 1.377 63.475 62.100 -0.004 0.000 1.116 209 T CB -0.434 68.432 68.868 -0.003 0.000 0.878 209 T HN 0.439 nan 8.240 nan 0.000 0.509 210 D N 0.784 121.178 120.400 -0.010 0.000 2.411 210 D HA 0.315 4.954 4.640 -0.001 0.000 0.239 210 D C -2.480 173.811 176.300 -0.015 0.000 1.307 210 D CA -2.053 51.941 54.000 -0.011 0.000 0.930 210 D CB 1.674 42.467 40.800 -0.012 0.000 1.395 210 D HN -0.088 nan 8.370 nan 0.000 0.536 211 P HA -0.134 nan 4.420 nan 0.000 0.215 211 P C 1.646 178.936 177.300 -0.018 0.000 1.153 211 P CA 0.578 63.669 63.100 -0.014 0.000 0.853 211 P CB 0.543 32.238 31.700 -0.008 0.000 0.788 212 V N -0.687 119.219 119.914 -0.014 0.000 2.307 212 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 212 V C 2.433 178.513 176.094 -0.022 0.000 1.045 212 V CA 1.462 63.753 62.300 -0.015 0.000 1.024 212 V CB -1.246 30.571 31.823 -0.010 0.000 0.651 212 V HN 0.029 nan 8.190 nan 0.000 0.449 213 L N 0.831 122.040 121.223 -0.023 0.000 1.990 213 L HA -0.196 4.144 4.340 -0.001 0.000 0.213 213 L C 2.550 179.394 176.870 -0.044 0.000 1.072 213 L CA 2.459 57.282 54.840 -0.028 0.000 0.755 213 L CB -0.906 41.139 42.059 -0.024 0.000 0.889 213 L HN 0.262 nan 8.230 nan 0.000 0.432 214 A N -1.747 121.044 122.820 -0.048 0.000 1.958 214 A HA -0.292 4.027 4.320 -0.001 0.000 0.221 214 A C 2.250 179.772 177.584 -0.103 0.000 1.178 214 A CA 2.636 54.629 52.037 -0.073 0.000 0.642 214 A CB -1.285 17.680 19.000 -0.059 0.000 0.816 214 A HN 0.583 nan 8.150 nan 0.000 0.453 215 T N -0.384 114.128 114.554 -0.071 0.000 2.770 215 T HA -0.101 4.248 4.350 -0.001 0.000 0.263 215 T C 1.745 176.406 174.700 -0.064 0.000 1.039 215 T CA 1.395 63.456 62.100 -0.067 0.000 1.142 215 T CB -0.274 68.576 68.868 -0.029 0.000 0.868 215 T HN 0.662 nan 8.240 nan 0.000 0.435 216 E N 1.207 121.379 120.200 -0.047 0.000 2.085 216 E HA -0.155 4.195 4.350 -0.001 0.000 0.194 216 E C 2.336 178.905 176.600 -0.051 0.000 0.994 216 E CA 1.047 57.424 56.400 -0.039 0.000 0.801 216 E CB -0.085 29.598 29.700 -0.029 0.000 0.743 216 E HN 0.461 nan 8.360 nan 0.000 0.453 217 K N 0.397 120.755 120.400 -0.070 0.000 2.026 217 K HA -0.129 4.191 4.320 -0.001 0.000 0.208 217 K C 2.214 178.752 176.600 -0.103 0.000 1.048 217 K CA 1.096 57.337 56.287 -0.076 0.000 0.929 217 K CB -0.163 32.281 32.500 -0.092 0.000 0.713 217 K HN 0.131 nan 8.250 nan 0.000 0.439 218 I N 1.826 122.269 120.570 -0.212 0.000 2.179 218 I HA -0.309 3.860 4.170 -0.001 0.000 0.242 218 I C 1.738 177.800 176.117 -0.091 0.000 1.088 218 I CA 1.160 62.259 61.300 -0.336 0.000 1.357 218 I CB -0.425 37.239 38.000 -0.560 0.000 1.051 218 I HN 0.171 nan 8.210 nan 0.000 0.409 219 N N 0.711 119.375 118.700 -0.060 0.000 2.104 219 N HA -0.208 4.532 4.740 -0.001 0.000 0.190 219 N C 1.856 177.333 175.510 -0.055 0.000 1.024 219 N CA 1.187 54.221 53.050 -0.026 0.000 0.853 219 N CB -0.491 37.993 38.487 -0.006 0.000 1.008 219 N HN 0.288 nan 8.380 nan 0.000 0.424 220 R N -0.319 120.157 120.500 -0.040 0.000 2.073 220 R HA -0.120 4.220 4.340 -0.001 0.000 0.234 220 R C 2.102 178.367 176.300 -0.059 0.000 1.134 220 R CA 1.126 57.198 56.100 -0.047 0.000 0.952 220 R CB -0.410 29.874 30.300 -0.026 0.000 0.850 220 R HN 0.242 nan 8.270 nan 0.000 0.433 221 F N 1.212 121.067 119.950 -0.159 0.000 2.075 221 F HA -0.224 4.303 4.527 -0.001 0.000 0.297 221 F C 1.978 177.626 175.800 -0.253 0.000 1.113 221 F CA 1.407 59.302 58.000 -0.175 0.000 1.218 221 F CB -0.299 38.626 39.000 -0.125 0.000 0.984 221 F HN -0.047 nan 8.300 nan 0.000 0.472 222 I N 0.809 121.177 120.570 -0.337 0.000 2.208 222 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 222 I C 2.507 178.252 176.117 -0.620 0.000 1.097 222 I CA 1.450 62.392 61.300 -0.596 0.000 1.363 222 I CB -1.214 36.471 38.000 -0.525 0.000 1.051 222 I HN 0.241 nan 8.210 nan 0.000 0.413 223 K N 1.177 121.339 120.400 -0.397 0.000 2.026 223 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 223 K C 2.120 178.492 176.600 -0.381 0.000 1.048 223 K CA 1.654 57.747 56.287 -0.322 0.000 0.929 223 K CB -0.120 32.271 32.500 -0.181 0.000 0.713 223 K HN 0.274 nan 8.250 nan 0.000 0.439 224 A N 0.831 123.421 122.820 -0.383 0.000 1.940 224 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 224 A C 2.292 179.597 177.584 -0.465 0.000 1.176 224 A CA 2.179 54.002 52.037 -0.356 0.000 0.631 224 A CB -0.664 18.163 19.000 -0.289 0.000 0.814 224 A HN 0.233 nan 8.150 nan 0.000 0.446 225 V N -2.177 117.304 119.914 -0.723 0.000 2.346 225 V HA -0.101 4.018 4.120 -0.001 0.000 0.244 225 V C 2.460 178.158 176.094 -0.660 0.000 1.037 225 V CA 2.248 64.090 62.300 -0.763 0.000 1.029 225 V CB -1.745 29.336 31.823 -1.237 0.000 0.663 225 V HN 0.654 nan 8.190 nan 0.000 0.454 226 T N -2.774 111.277 114.554 -0.839 0.000 3.044 226 T HA 0.336 4.686 4.350 -0.001 0.000 0.255 226 T C 1.830 175.979 174.700 -0.920 0.000 1.073 226 T CA 1.179 62.592 62.100 -1.145 0.000 1.125 226 T CB 0.127 67.796 68.868 -1.998 0.000 0.908 226 T HN 1.595 nan 8.240 nan 0.000 0.480 227 G N 0.757 109.214 108.800 -0.573 0.000 2.168 227 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.263 227 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.263 227 G C -0.152 174.693 174.900 -0.092 0.000 0.977 227 G CA 0.097 45.033 45.100 -0.272 0.000 0.659 227 G HN 0.536 nan 8.290 nan 0.000 0.533 228 W N 0.564 121.722 121.300 -0.238 0.000 2.315 228 W HA 0.658 5.317 4.660 -0.001 0.000 0.316 228 W C 0.583 177.004 176.519 -0.163 0.000 1.211 228 W CA -1.720 55.467 57.345 -0.263 0.000 1.201 228 W CB 0.600 29.866 29.460 -0.324 0.000 1.184 228 W HN 0.039 nan 8.180 nan 0.000 0.544 229 K N 4.379 124.840 120.400 0.102 0.000 2.253 229 K HA 0.521 4.841 4.320 -0.001 0.000 0.277 229 K C -0.214 176.434 176.600 0.080 0.000 1.053 229 K CA -0.098 56.224 56.287 0.057 0.000 0.892 229 K CB 0.299 32.818 32.500 0.031 0.000 1.102 229 K HN 0.536 nan 8.250 nan 0.000 0.469 230 M N 0.729 120.382 119.600 0.088 0.000 2.682 230 M HA 0.364 4.843 4.480 -0.001 0.000 0.272 230 M C -1.021 175.342 176.300 0.105 0.000 1.232 230 M CA -1.274 54.094 55.300 0.113 0.000 0.849 230 M CB 0.823 33.534 32.600 0.185 0.000 1.695 230 M HN 0.107 nan 8.290 nan 0.000 0.481 231 N N 2.258 121.022 118.700 0.106 0.000 2.142 231 N HA 0.068 4.808 4.740 -0.001 0.000 0.282 231 N C -1.300 174.271 175.510 0.102 0.000 1.342 231 N CA 0.450 53.555 53.050 0.093 0.000 0.831 231 N CB 0.057 38.600 38.487 0.094 0.000 1.083 231 N HN 0.439 nan 8.380 nan 0.000 0.492 232 L N 5.302 126.569 121.223 0.073 0.000 2.360 232 L HA 0.339 4.679 4.340 -0.001 0.000 0.265 232 L C -1.885 175.017 176.870 0.054 0.000 1.066 232 L CA -1.968 52.911 54.840 0.065 0.000 0.929 232 L CB 0.127 42.210 42.059 0.040 0.000 1.306 232 L HN 0.308 nan 8.230 nan 0.000 0.434 233 P HA 0.117 nan 4.420 nan 0.000 0.266 233 P C 0.784 178.104 177.300 0.033 0.000 1.215 233 P CA -0.043 63.086 63.100 0.048 0.000 0.763 233 P CB 1.213 32.946 31.700 0.055 0.000 0.806 234 L N 1.200 122.438 121.223 0.024 0.000 2.354 234 L HA 0.129 4.469 4.340 -0.001 0.000 0.212 234 L C 1.442 178.318 176.870 0.010 0.000 1.091 234 L CA 0.120 54.968 54.840 0.014 0.000 0.828 234 L CB -0.452 41.614 42.059 0.011 0.000 0.973 234 L HN 0.402 nan 8.230 nan 0.000 0.461 235 E N 2.199 122.408 120.200 0.015 0.000 2.652 235 E HA -0.018 4.331 4.350 -0.001 0.000 0.255 235 E C 0.213 176.818 176.600 0.010 0.000 0.952 235 E CA -0.035 56.372 56.400 0.013 0.000 0.947 235 E CB 0.603 30.314 29.700 0.018 0.000 0.912 235 E HN 0.218 nan 8.360 nan 0.000 0.489 236 G N 3.160 111.963 108.800 0.005 0.000 2.442 236 G HA2 0.292 4.252 3.960 -0.001 0.000 0.249 236 G HA3 0.292 4.252 3.960 -0.001 0.000 0.249 236 G C -0.273 174.631 174.900 0.005 0.000 1.263 236 G CA -0.654 44.446 45.100 0.001 0.000 0.846 236 G HN 0.441 nan 8.290 nan 0.000 0.555 237 V N 1.409 121.326 119.914 0.005 0.000 2.743 237 V HA 0.222 4.342 4.120 -0.001 0.000 0.301 237 V C 0.874 176.971 176.094 0.005 0.000 1.057 237 V CA -0.548 61.759 62.300 0.011 0.000 1.006 237 V CB 1.626 33.462 31.823 0.021 0.000 1.024 237 V HN 0.901 nan 8.190 nan 0.000 0.473 238 S N 1.929 117.632 115.700 0.006 0.000 2.817 238 S HA -0.134 4.335 4.470 -0.001 0.000 0.333 238 S C 1.537 176.136 174.600 -0.001 0.000 1.227 238 S CA 0.847 59.048 58.200 0.001 0.000 1.027 238 S CB 0.323 63.523 63.200 -0.000 0.000 0.732 238 S HN 1.059 nan 8.310 nan 0.000 0.499 239 T N 1.682 116.235 114.554 -0.002 0.000 2.737 239 T HA -0.210 4.139 4.350 -0.001 0.000 0.269 239 T C 0.942 175.639 174.700 -0.005 0.000 1.040 239 T CA 1.867 63.965 62.100 -0.003 0.000 1.142 239 T CB -0.521 68.346 68.868 -0.002 0.000 0.861 239 T HN 0.831 nan 8.240 nan 0.000 0.456 240 D N 0.548 120.945 120.400 -0.005 0.000 2.427 240 D HA 0.239 4.879 4.640 -0.001 0.000 0.224 240 D C 0.160 176.452 176.300 -0.013 0.000 1.157 240 D CA -0.297 53.699 54.000 -0.006 0.000 0.828 240 D CB -0.219 40.580 40.800 -0.003 0.000 0.974 240 D HN 0.165 nan 8.370 nan 0.000 0.498 241 S N -0.159 115.531 115.700 -0.016 0.000 2.562 241 S HA 0.268 4.738 4.470 -0.001 0.000 0.281 241 S C 1.265 175.834 174.600 -0.052 0.000 1.333 241 S CA 0.109 58.293 58.200 -0.027 0.000 1.052 241 S CB 1.129 64.323 63.200 -0.011 0.000 0.884 241 S HN 0.539 nan 8.310 nan 0.000 0.506 242 T N -0.600 113.890 114.554 -0.107 0.000 3.043 242 T HA 0.355 4.705 4.350 -0.001 0.000 0.272 242 T C -0.011 174.481 174.700 -0.348 0.000 0.990 242 T CA -0.294 61.685 62.100 -0.202 0.000 0.897 242 T CB 0.042 68.769 68.868 -0.236 0.000 1.111 242 T HN 0.411 nan 8.240 nan 0.000 0.529 243 L N 1.163 122.254 121.223 -0.220 0.000 2.472 243 L HA 0.658 4.998 4.340 -0.001 0.000 0.260 243 L C -2.249 174.645 176.870 0.040 0.000 0.963 243 L CA -1.073 53.668 54.840 -0.166 0.000 0.829 243 L CB 2.214 44.122 42.059 -0.251 0.000 1.348 243 L HN 0.232 nan 8.230 nan 0.000 0.408 244 L N 4.729 126.035 121.223 0.137 0.000 2.438 244 L HA 0.453 4.793 4.340 -0.001 0.000 0.270 244 L C -1.325 175.731 176.870 0.311 0.000 0.972 244 L CA -0.406 54.582 54.840 0.247 0.000 0.831 244 L CB 2.560 44.783 42.059 0.274 0.000 1.273 244 L HN 0.537 nan 8.230 nan 0.000 0.405 245 F N 3.696 123.793 119.950 0.244 0.000 2.311 245 F HA 0.437 4.963 4.527 -0.001 0.000 0.371 245 F C -0.184 175.744 175.800 0.212 0.000 1.083 245 F CA -0.622 57.523 58.000 0.242 0.000 1.113 245 F CB 0.640 39.873 39.000 0.387 0.000 1.349 245 F HN 0.441 nan 8.300 nan 0.000 0.470 246 N N 3.316 122.138 118.700 0.203 0.000 2.419 246 N HA 0.300 5.040 4.740 -0.001 0.000 0.277 246 N C -0.783 174.740 175.510 0.022 0.000 1.006 246 N CA -0.324 52.788 53.050 0.105 0.000 0.923 246 N CB 1.789 40.384 38.487 0.180 0.000 1.140 246 N HN 0.350 nan 8.380 nan 0.000 0.488 247 T N 2.435 116.996 114.554 0.011 0.000 2.779 247 T HA 0.383 4.733 4.350 -0.001 0.000 0.280 247 T C -0.702 173.972 174.700 -0.043 0.000 0.987 247 T CA -0.270 61.915 62.100 0.143 0.000 0.966 247 T CB 0.203 69.294 68.868 0.372 0.000 0.933 247 T HN 0.228 nan 8.240 nan 0.000 0.442 248 Y N 1.908 122.373 120.300 0.276 0.000 2.328 248 Y HA 0.529 5.079 4.550 -0.001 0.000 0.333 248 Y C -0.026 176.105 175.900 0.385 0.000 0.958 248 Y CA -0.982 57.321 58.100 0.337 0.000 1.167 248 Y CB 1.146 39.852 38.460 0.410 0.000 1.151 248 Y HN 0.332 nan 8.280 nan 0.000 0.470 249 V N 3.588 123.742 119.914 0.400 0.000 2.547 249 V HA 0.394 4.513 4.120 -0.001 0.000 0.299 249 V C -0.510 175.665 176.094 0.134 0.000 1.040 249 V CA -0.828 61.646 62.300 0.290 0.000 0.913 249 V CB 1.662 33.666 31.823 0.300 0.000 0.992 249 V HN 0.782 nan 8.190 nan 0.000 0.449 250 H N 3.800 122.729 119.070 -0.234 0.000 2.856 250 H HA 0.506 5.061 4.556 -0.001 0.000 0.355 250 H C -2.360 172.857 175.328 -0.186 0.000 1.079 250 H CA -0.594 55.138 56.048 -0.526 0.000 1.240 250 H CB 1.996 30.749 29.762 -1.681 0.000 1.701 250 H HN 0.628 nan 8.280 nan 0.000 0.527 251 F N 4.623 124.176 119.950 -0.663 0.000 2.536 251 F HA 0.333 4.859 4.527 -0.001 0.000 0.322 251 F C -1.316 174.135 175.800 -0.582 0.000 1.144 251 F CA -0.400 57.306 58.000 -0.491 0.000 0.924 251 F CB 1.799 40.646 39.000 -0.255 0.000 1.181 251 F HN 0.521 nan 8.300 nan 0.000 0.438 252 Q N 4.359 123.592 119.800 -0.945 0.000 2.327 252 Q HA 0.530 4.869 4.340 -0.001 0.000 0.270 252 Q C -0.540 175.052 176.000 -0.680 0.000 1.022 252 Q CA -0.976 54.460 55.803 -0.611 0.000 0.773 252 Q CB 2.211 30.669 28.738 -0.466 0.000 1.251 252 Q HN 0.897 nan 8.270 nan 0.000 0.457 253 G N 1.563 110.176 108.800 -0.312 0.000 2.487 253 G HA2 0.401 4.361 3.960 -0.001 0.000 0.314 253 G HA3 0.401 4.361 3.960 -0.001 0.000 0.314 253 G C -0.538 174.288 174.900 -0.122 0.000 1.267 253 G CA -0.223 44.777 45.100 -0.167 0.000 0.937 253 G HN 0.366 nan 8.290 nan 0.000 0.481 254 T N 4.276 118.755 114.554 -0.125 0.000 2.771 254 T HA 0.289 4.638 4.350 -0.001 0.000 0.291 254 T C 0.691 175.348 174.700 -0.072 0.000 0.954 254 T CA -0.264 61.785 62.100 -0.085 0.000 1.045 254 T CB 0.815 69.641 68.868 -0.071 0.000 0.917 254 T HN 0.312 nan 8.240 nan 0.000 0.484 255 M N 3.972 123.519 119.600 -0.089 0.000 2.664 255 M HA 0.248 4.727 4.480 -0.001 0.000 0.332 255 M C 0.596 176.941 176.300 0.075 0.000 1.354 255 M CA -0.234 54.980 55.300 -0.144 0.000 1.399 255 M CB -0.322 32.007 32.600 -0.452 0.000 1.224 255 M HN 0.435 nan 8.290 nan 0.000 0.479 256 R N 0.591 121.152 120.500 0.102 0.000 2.640 256 R HA 0.184 4.524 4.340 -0.001 0.000 0.270 256 R C 1.187 177.658 176.300 0.285 0.000 1.024 256 R CA 1.729 57.920 56.100 0.152 0.000 1.085 256 R CB 0.394 30.760 30.300 0.111 0.000 0.963 256 R HN 0.958 nan 8.270 nan 0.000 0.426 257 G N 3.224 112.158 108.800 0.224 0.000 2.320 257 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.242 257 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.242 257 G C 0.119 175.127 174.900 0.181 0.000 1.033 257 G CA 0.025 45.244 45.100 0.199 0.000 0.620 257 G HN 0.546 nan 8.290 nan 0.000 0.517 258 F N 2.164 122.150 119.950 0.061 0.000 2.371 258 F HA 0.584 5.111 4.527 -0.001 0.000 0.329 258 F C 1.061 176.880 175.800 0.030 0.000 1.107 258 F CA 0.218 58.247 58.000 0.048 0.000 1.137 258 F CB 1.790 40.813 39.000 0.038 0.000 1.214 258 F HN 0.318 nan 8.300 nan 0.000 0.536 259 S N 0.814 116.611 115.700 0.161 0.000 2.595 259 S HA 0.391 4.860 4.470 -0.001 0.000 0.281 259 S C -1.166 173.496 174.600 0.103 0.000 1.117 259 S CA -1.140 57.122 58.200 0.103 0.000 0.873 259 S CB 1.808 65.037 63.200 0.049 0.000 1.108 259 S HN 0.637 nan 8.310 nan 0.000 0.477 260 Q N 1.342 121.192 119.800 0.084 0.000 2.294 260 Q HA 0.505 4.845 4.340 -0.001 0.000 0.257 260 Q C -1.060 174.992 176.000 0.086 0.000 0.955 260 Q CA -0.550 55.304 55.803 0.085 0.000 0.936 260 Q CB 0.463 29.241 28.738 0.067 0.000 1.188 260 Q HN 0.700 nan 8.270 nan 0.000 0.420 261 L N 5.990 127.283 121.223 0.118 0.000 2.436 261 L HA 0.351 4.691 4.340 -0.001 0.000 0.265 261 L C -1.874 175.103 176.870 0.178 0.000 1.168 261 L CA -2.115 52.816 54.840 0.151 0.000 0.815 261 L CB 0.352 42.513 42.059 0.170 0.000 1.109 261 L HN 0.624 nan 8.230 nan 0.000 0.462 262 P HA 0.064 nan 4.420 nan 0.000 0.265 262 P C 0.440 177.747 177.300 0.012 0.000 1.187 262 P CA 0.759 63.905 63.100 0.077 0.000 0.766 262 P CB 0.516 32.257 31.700 0.068 0.000 0.820 263 G N 1.421 110.194 108.800 -0.046 0.000 2.564 263 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.273 263 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.273 263 G C -0.200 174.560 174.900 -0.233 0.000 1.242 263 G CA 0.196 45.218 45.100 -0.131 0.000 0.951 263 G HN 0.740 nan 8.290 nan 0.000 0.564 264 V N -2.917 116.779 119.914 -0.364 0.000 3.155 264 V HA 0.988 5.108 4.120 -0.001 0.000 0.313 264 V C -0.112 175.599 176.094 -0.637 0.000 1.162 264 V CA -0.782 61.313 62.300 -0.343 0.000 1.048 264 V CB 2.075 33.826 31.823 -0.120 0.000 1.092 264 V HN 1.302 nan 8.190 nan 0.000 0.447 265 H N -0.694 118.416 119.070 0.066 0.000 3.016 265 H HA 0.508 5.064 4.556 -0.001 0.000 0.362 265 H C -1.141 174.260 175.328 0.120 0.000 1.233 265 H CA -0.584 55.513 56.048 0.082 0.000 1.124 265 H CB 2.345 32.155 29.762 0.080 0.000 1.850 265 H HN 0.930 nan 8.280 nan 0.000 0.549 266 E N 1.077 121.432 120.200 0.258 0.000 2.373 266 E HA 0.230 4.580 4.350 -0.001 0.000 0.267 266 E C -1.275 175.507 176.600 0.303 0.000 1.032 266 E CA -0.183 56.354 56.400 0.227 0.000 0.889 266 E CB 0.686 30.493 29.700 0.178 0.000 0.984 266 E HN 0.288 nan 8.360 nan 0.000 0.425 267 F N 4.941 124.983 119.950 0.153 0.000 2.536 267 F HA 0.320 4.847 4.527 -0.001 0.000 0.322 267 F C -1.451 174.477 175.800 0.213 0.000 1.144 267 F CA -0.874 57.236 58.000 0.183 0.000 0.924 267 F CB 0.798 39.890 39.000 0.154 0.000 1.181 267 F HN 0.526 nan 8.300 nan 0.000 0.438 268 W N 7.250 128.306 121.300 -0.407 0.000 2.287 268 W HA 0.432 5.092 4.660 -0.001 0.000 0.313 268 W C 0.413 176.813 176.519 -0.198 0.000 1.267 268 W CA 0.035 57.243 57.345 -0.229 0.000 1.201 268 W CB 1.609 30.928 29.460 -0.234 0.000 1.196 268 W HN 0.478 nan 8.180 nan 0.000 0.536 269 V N 1.504 121.212 119.914 -0.343 0.000 3.090 269 V HA 0.342 4.461 4.120 -0.001 0.000 0.237 269 V C -0.476 175.303 176.094 -0.526 0.000 1.209 269 V CA 1.199 63.387 62.300 -0.187 0.000 1.209 269 V CB 0.218 32.035 31.823 -0.010 0.000 0.971 269 V HN 0.560 nan 8.190 nan 0.000 0.477 270 D N -0.936 118.823 120.400 -1.069 0.000 2.692 270 D HA 0.223 4.862 4.640 -0.001 0.000 0.303 270 D C 0.566 176.053 176.300 -1.355 0.000 1.278 270 D CA 0.033 53.316 54.000 -1.195 0.000 0.852 270 D CB 0.018 40.569 40.800 -0.414 0.000 1.375 270 D HN 0.094 nan 8.370 nan 0.000 0.453 271 N N 0.093 118.482 118.700 -0.519 0.000 2.272 271 N HA -0.198 4.542 4.740 -0.001 0.000 0.185 271 N C 0.917 176.362 175.510 -0.108 0.000 1.014 271 N CA 1.838 54.890 53.050 0.002 0.000 0.870 271 N CB -0.783 37.830 38.487 0.210 0.000 0.975 271 N HN 0.341 nan 8.380 nan 0.000 0.433 272 S N 1.596 117.189 115.700 -0.179 0.000 2.355 272 S HA 0.056 4.525 4.470 -0.001 0.000 0.210 272 S C 1.288 175.784 174.600 -0.174 0.000 1.035 272 S CA 0.889 59.012 58.200 -0.129 0.000 1.011 272 S CB -0.480 62.657 63.200 -0.104 0.000 1.000 272 S HN 0.596 nan 8.310 nan 0.000 0.423 273 I N -0.001 120.427 120.570 -0.236 0.000 2.412 273 I HA 0.697 4.867 4.170 -0.001 0.000 0.296 273 I C -1.011 174.963 176.117 -0.238 0.000 0.987 273 I CA -0.528 60.666 61.300 -0.178 0.000 1.180 273 I CB 1.950 39.884 38.000 -0.111 0.000 1.340 273 I HN 0.071 nan 8.210 nan 0.000 0.455 274 S N 4.767 120.395 115.700 -0.122 0.000 2.634 274 S HA 0.823 5.292 4.470 -0.001 0.000 0.296 274 S C -0.500 174.124 174.600 0.041 0.000 1.104 274 S CA -0.647 57.527 58.200 -0.042 0.000 0.920 274 S CB 2.351 65.560 63.200 0.015 0.000 1.111 274 S HN 0.792 nan 8.310 nan 0.000 0.493 275 V N -1.101 118.884 119.914 0.117 0.000 3.007 275 V HA 0.870 4.990 4.120 -0.001 0.000 0.311 275 V C -0.510 175.665 176.094 0.135 0.000 1.120 275 V CA -0.642 61.721 62.300 0.104 0.000 0.980 275 V CB 1.815 33.690 31.823 0.087 0.000 1.033 275 V HN 0.706 nan 8.190 nan 0.000 0.429 276 S N 2.034 117.786 115.700 0.087 0.000 2.433 276 S HA 0.845 5.315 4.470 -0.001 0.000 0.310 276 S C -0.504 174.128 174.600 0.053 0.000 1.097 276 S CA -0.171 58.078 58.200 0.081 0.000 1.103 276 S CB 0.619 63.845 63.200 0.043 0.000 0.992 276 S HN 1.826 nan 8.310 nan 0.000 0.469 277 V N 2.990 122.947 119.914 0.072 0.000 3.078 277 V HA 0.796 4.916 4.120 -0.001 0.000 0.311 277 V C -2.861 173.269 176.094 0.059 0.000 1.138 277 V CA -2.721 59.604 62.300 0.041 0.000 1.007 277 V CB 1.741 33.573 31.823 0.016 0.000 1.045 277 V HN 0.627 nan 8.190 nan 0.000 0.432 278 P HA 0.355 nan 4.420 nan 0.000 0.276 278 P C -0.964 176.403 177.300 0.112 0.000 1.230 278 P CA -0.031 63.110 63.100 0.068 0.000 0.776 278 P CB 0.866 32.587 31.700 0.034 0.000 0.888 279 M N 3.332 123.051 119.600 0.198 0.000 2.706 279 M HA 0.574 5.053 4.480 -0.001 0.000 0.304 279 M C 0.568 176.943 176.300 0.125 0.000 1.217 279 M CA -0.973 54.420 55.300 0.155 0.000 0.922 279 M CB 1.330 34.025 32.600 0.159 0.000 1.637 279 M HN 0.328 nan 8.290 nan 0.000 0.492 280 I N -1.730 118.906 120.570 0.110 0.000 2.934 280 I HA 0.844 5.013 4.170 -0.001 0.000 0.306 280 I C -0.709 175.529 176.117 0.201 0.000 1.110 280 I CA -0.666 60.725 61.300 0.151 0.000 1.019 280 I CB 2.265 40.359 38.000 0.157 0.000 1.227 280 I HN 0.657 nan 8.210 nan 0.000 0.434 281 S N 2.200 118.019 115.700 0.198 0.000 2.536 281 S HA 0.926 5.396 4.470 -0.001 0.000 0.271 281 S C -0.818 173.589 174.600 -0.323 0.000 1.134 281 S CA -0.026 58.195 58.200 0.036 0.000 0.897 281 S CB 1.924 65.103 63.200 -0.036 0.000 1.094 281 S HN 1.406 nan 8.310 nan 0.000 0.473 282 G N 1.453 109.722 108.800 -0.886 0.000 2.703 282 G HA2 0.554 4.514 3.960 -0.001 0.000 0.294 282 G HA3 0.554 4.514 3.960 -0.001 0.000 0.294 282 G C -1.508 172.953 174.900 -0.731 0.000 1.451 282 G CA -0.507 43.817 45.100 -1.294 0.000 0.869 282 G HN 0.711 nan 8.290 nan 0.000 0.516 283 T N 0.620 114.943 114.554 -0.385 0.000 2.809 283 T HA 0.755 5.104 4.350 -0.001 0.000 0.296 283 T C 0.391 174.968 174.700 -0.204 0.000 1.015 283 T CA 0.109 62.095 62.100 -0.190 0.000 0.954 283 T CB 1.314 70.094 68.868 -0.147 0.000 0.950 283 T HN 1.116 nan 8.240 nan 0.000 0.450 284 G N 1.924 110.507 108.800 -0.363 0.000 2.827 284 G HA2 0.469 4.429 3.960 -0.001 0.000 0.296 284 G HA3 0.469 4.429 3.960 -0.001 0.000 0.296 284 G C -1.235 173.113 174.900 -0.919 0.000 1.362 284 G CA -0.888 43.799 45.100 -0.688 0.000 0.809 284 G HN 0.473 nan 8.290 nan 0.000 0.522 285 N N 0.831 119.063 118.700 -0.781 0.000 2.719 285 N HA 0.356 5.096 4.740 -0.001 0.000 0.243 285 N C -1.285 174.001 175.510 -0.373 0.000 1.104 285 N CA 0.149 52.941 53.050 -0.430 0.000 0.981 285 N CB 0.268 38.647 38.487 -0.179 0.000 1.290 285 N HN 0.259 nan 8.380 nan 0.000 0.513 286 F N -0.028 119.992 119.950 0.116 0.000 2.480 286 F HA 0.324 4.850 4.527 -0.001 0.000 0.329 286 F C 1.091 177.002 175.800 0.185 0.000 1.091 286 F CA -1.207 56.884 58.000 0.151 0.000 0.972 286 F CB 1.627 40.721 39.000 0.155 0.000 1.150 286 F HN -0.024 nan 8.300 nan 0.000 0.467 287 Q N 1.945 121.998 119.800 0.421 0.000 2.297 287 Q HA 0.146 4.486 4.340 -0.001 0.000 0.267 287 Q C -1.081 175.204 176.000 0.473 0.000 1.006 287 Q CA 0.325 56.370 55.803 0.404 0.000 0.896 287 Q CB 0.686 29.666 28.738 0.403 0.000 1.186 287 Q HN 0.543 nan 8.270 nan 0.000 0.392 288 H N 2.391 121.671 119.070 0.350 0.000 2.851 288 H HA 0.589 5.145 4.556 -0.001 0.000 0.372 288 H C -1.685 173.888 175.328 0.408 0.000 1.158 288 H CA -0.730 55.466 56.048 0.247 0.000 1.159 288 H CB 0.965 30.816 29.762 0.148 0.000 1.757 288 H HN 0.688 nan 8.280 nan 0.000 0.546 289 W N 1.928 122.900 121.300 -0.546 0.000 2.961 289 W HA 0.682 5.341 4.660 -0.001 0.000 0.368 289 W C -1.797 174.436 176.519 -0.477 0.000 1.213 289 W CA -1.097 56.011 57.345 -0.396 0.000 1.173 289 W CB 0.981 30.359 29.460 -0.136 0.000 1.487 289 W HN 0.632 nan 8.180 nan 0.000 0.585 290 S N 1.154 116.835 115.700 -0.031 0.000 2.733 290 S HA 0.172 4.642 4.470 -0.001 0.000 0.294 290 S C -1.457 173.139 174.600 -0.007 0.000 1.149 290 S CA -0.534 57.617 58.200 -0.081 0.000 1.034 290 S CB 0.600 63.801 63.200 0.001 0.000 1.015 290 S HN 0.528 nan 8.310 nan 0.000 0.486 291 D N 4.639 124.890 120.400 -0.248 0.000 2.383 291 D HA 0.267 4.907 4.640 -0.001 0.000 0.245 291 D C 1.139 177.321 176.300 -0.197 0.000 1.263 291 D CA -0.068 53.721 54.000 -0.352 0.000 0.936 291 D CB 1.211 41.365 40.800 -1.077 0.000 1.053 291 D HN 0.671 nan 8.370 nan 0.000 0.507 292 A N 3.895 126.677 122.820 -0.062 0.000 2.119 292 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 292 A C 1.935 179.506 177.584 -0.020 0.000 1.153 292 A CA 1.093 53.124 52.037 -0.011 0.000 0.692 292 A CB -0.105 18.891 19.000 -0.007 0.000 0.799 292 A HN 0.605 nan 8.150 nan 0.000 0.458 293 Q N 0.903 120.673 119.800 -0.051 0.000 1.990 293 Q HA -0.077 4.263 4.340 -0.001 0.000 0.200 293 Q C 0.897 176.888 176.000 -0.016 0.000 0.980 293 Q CA 1.970 57.756 55.803 -0.028 0.000 0.832 293 Q CB -0.133 28.591 28.738 -0.023 0.000 0.897 293 Q HN 0.577 nan 8.270 nan 0.000 0.427 294 N N 0.333 119.006 118.700 -0.044 0.000 2.273 294 N HA 0.110 4.850 4.740 -0.001 0.000 0.231 294 N C -0.928 174.618 175.510 0.059 0.000 1.134 294 N CA 0.495 53.572 53.050 0.044 0.000 0.856 294 N CB 0.317 38.918 38.487 0.190 0.000 1.068 294 N HN 0.364 nan 8.380 nan 0.000 0.510 295 N N 0.287 118.979 118.700 -0.013 0.000 2.735 295 N HA -0.209 4.531 4.740 -0.001 0.000 0.248 295 N C -0.820 174.392 175.510 -0.496 0.000 1.083 295 N CA 0.779 53.836 53.050 0.012 0.000 0.703 295 N CB -1.738 36.795 38.487 0.077 0.000 1.005 295 N HN 0.487 nan 8.380 nan 0.000 0.550 296 F N -2.524 117.011 119.950 -0.691 0.000 2.675 296 F HA 0.888 5.415 4.527 -0.001 0.000 0.324 296 F C -0.533 174.986 175.800 -0.468 0.000 1.106 296 F CA -0.795 56.703 58.000 -0.836 0.000 0.970 296 F CB 1.315 40.038 39.000 -0.462 0.000 1.385 296 F HN -0.026 nan 8.300 nan 0.000 0.489 297 S N 0.394 116.031 115.700 -0.104 0.000 2.535 297 S HA 0.793 5.262 4.470 -0.001 0.000 0.272 297 S C -1.889 172.590 174.600 -0.201 0.000 1.149 297 S CA -0.727 57.355 58.200 -0.196 0.000 0.888 297 S CB 1.239 64.459 63.200 0.033 0.000 1.110 297 S HN 0.849 nan 8.310 nan 0.000 0.463 298 V N 1.400 120.911 119.914 -0.671 0.000 2.864 298 V HA 0.820 4.940 4.120 -0.001 0.000 0.314 298 V C -0.518 175.277 176.094 -0.499 0.000 1.073 298 V CA -0.554 61.359 62.300 -0.645 0.000 0.956 298 V CB 2.315 33.494 31.823 -1.074 0.000 1.023 298 V HN 1.080 nan 8.190 nan 0.000 0.435 299 T N 1.806 116.282 114.554 -0.131 0.000 2.949 299 T HA 0.338 4.688 4.350 -0.001 0.000 0.300 299 T C -0.649 174.092 174.700 0.068 0.000 0.988 299 T CA -0.313 61.837 62.100 0.083 0.000 0.993 299 T CB 0.875 69.823 68.868 0.134 0.000 0.984 299 T HN 0.706 nan 8.240 nan 0.000 0.442 300 C N 3.749 123.146 119.300 0.160 0.000 2.307 300 C HA 0.819 5.279 4.460 -0.001 0.000 0.340 300 C C 0.626 175.689 174.990 0.122 0.000 1.275 300 C CA -0.949 58.179 59.018 0.183 0.000 1.811 300 C CB -0.443 27.475 27.740 0.297 0.000 2.372 300 C HN 0.807 nan 8.230 nan 0.000 0.531 301 V N 1.979 121.892 119.914 -0.001 0.000 2.709 301 V HA 0.723 4.843 4.120 -0.001 0.000 0.308 301 V C -3.041 173.074 176.094 0.036 0.000 1.062 301 V CA -2.316 59.904 62.300 -0.133 0.000 0.901 301 V CB 1.741 33.162 31.823 -0.669 0.000 1.003 301 V HN 0.678 nan 8.190 nan 0.000 0.425 302 P HA 0.471 nan 4.420 nan 0.000 0.279 302 P C -0.695 176.667 177.300 0.103 0.000 1.239 302 P CA -0.108 63.084 63.100 0.153 0.000 0.789 302 P CB 0.761 32.579 31.700 0.197 0.000 0.933 303 L N 3.178 124.459 121.223 0.096 0.000 2.504 303 L HA 0.528 4.868 4.340 -0.001 0.000 0.249 303 L C 0.981 177.897 176.870 0.076 0.000 1.120 303 L CA -0.092 54.794 54.840 0.077 0.000 0.997 303 L CB -0.274 41.850 42.059 0.109 0.000 1.349 303 L HN 0.701 nan 8.230 nan 0.000 0.439 304 G N 1.796 110.641 108.800 0.074 0.000 2.760 304 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.246 304 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.246 304 G C 0.406 175.355 174.900 0.080 0.000 1.359 304 G CA 0.151 45.291 45.100 0.068 0.000 0.861 304 G HN 0.804 nan 8.290 nan 0.000 0.541 305 E N -0.564 119.677 120.200 0.069 0.000 2.502 305 E HA 0.225 4.574 4.350 -0.001 0.000 0.194 305 E C 1.976 178.617 176.600 0.067 0.000 1.062 305 E CA 0.787 57.229 56.400 0.071 0.000 0.867 305 E CB 0.267 30.002 29.700 0.058 0.000 0.888 305 E HN 0.513 nan 8.360 nan 0.000 0.510 306 R N 0.361 120.898 120.500 0.063 0.000 2.197 306 R HA 0.323 4.663 4.340 -0.001 0.000 0.188 306 R C 0.498 176.834 176.300 0.060 0.000 1.015 306 R CA 0.486 56.617 56.100 0.050 0.000 1.132 306 R CB 0.335 30.654 30.300 0.031 0.000 1.134 306 R HN 0.119 nan 8.270 nan 0.000 0.560 307 A N 1.391 124.257 122.820 0.076 0.000 2.425 307 A HA 0.345 4.665 4.320 -0.001 0.000 0.249 307 A C -0.468 177.202 177.584 0.143 0.000 1.084 307 A CA 0.586 52.688 52.037 0.108 0.000 0.781 307 A CB 0.528 19.608 19.000 0.133 0.000 1.019 307 A HN 0.167 nan 8.150 nan 0.000 0.490 308 T N 2.343 117.010 114.554 0.188 0.000 2.881 308 T HA 0.437 4.787 4.350 -0.001 0.000 0.290 308 T C -0.891 173.936 174.700 0.211 0.000 1.000 308 T CA -0.318 61.908 62.100 0.209 0.000 0.978 308 T CB 1.104 70.137 68.868 0.275 0.000 0.997 308 T HN 0.581 nan 8.240 nan 0.000 0.443 309 L N 4.480 125.791 121.223 0.146 0.000 2.265 309 L HA 0.604 4.944 4.340 -0.001 0.000 0.288 309 L C -1.320 175.643 176.870 0.155 0.000 1.058 309 L CA -0.431 54.493 54.840 0.140 0.000 0.809 309 L CB 0.191 42.280 42.059 0.049 0.000 1.179 309 L HN 0.495 nan 8.230 nan 0.000 0.429 310 L N 6.303 127.660 121.223 0.223 0.000 2.307 310 L HA 0.512 4.852 4.340 -0.001 0.000 0.282 310 L C -0.650 176.374 176.870 0.257 0.000 1.051 310 L CA 0.039 55.020 54.840 0.234 0.000 0.804 310 L CB 1.423 43.660 42.059 0.295 0.000 1.197 310 L HN 0.491 nan 8.230 nan 0.000 0.431 311 L N 5.056 126.387 121.223 0.181 0.000 2.372 311 L HA 0.539 4.879 4.340 -0.001 0.000 0.273 311 L C -1.014 175.935 176.870 0.132 0.000 0.989 311 L CA -0.407 54.549 54.840 0.193 0.000 0.841 311 L CB 1.510 43.600 42.059 0.052 0.000 1.225 311 L HN 0.414 nan 8.230 nan 0.000 0.414 312 I N 2.947 123.617 120.570 0.166 0.000 2.354 312 I HA 0.348 4.517 4.170 -0.001 0.000 0.292 312 I C -0.141 176.023 176.117 0.079 0.000 0.989 312 I CA -0.112 61.206 61.300 0.030 0.000 1.188 312 I CB 1.576 39.458 38.000 -0.197 0.000 1.342 312 I HN 0.513 nan 8.210 nan 0.000 0.457 313 Q N 7.542 127.380 119.800 0.064 0.000 2.331 313 Q HA 0.463 4.803 4.340 -0.001 0.000 0.267 313 Q C -2.465 173.541 176.000 0.011 0.000 1.006 313 Q CA -1.868 53.984 55.803 0.083 0.000 0.818 313 Q CB 2.567 31.365 28.738 0.101 0.000 1.276 313 Q HN 0.321 nan 8.270 nan 0.000 0.450 314 P HA 0.080 nan 4.420 nan 0.000 0.276 314 P C -0.359 176.931 177.300 -0.017 0.000 1.244 314 P CA -0.059 62.995 63.100 -0.078 0.000 0.801 314 P CB 1.003 32.676 31.700 -0.045 0.000 1.006 315 H N -0.925 118.166 119.070 0.036 0.000 2.482 315 H HA 0.067 4.623 4.556 -0.001 0.000 0.286 315 H C 0.431 175.743 175.328 -0.027 0.000 1.017 315 H CA 0.266 56.314 56.048 0.000 0.000 1.322 315 H CB 0.185 29.945 29.762 -0.005 0.000 1.426 315 H HN 0.432 nan 8.280 nan 0.000 0.546 316 C N -0.472 118.877 119.300 0.082 0.000 2.779 316 C HA 0.334 4.793 4.460 -0.001 0.000 0.314 316 C C 1.543 176.544 174.990 0.019 0.000 1.231 316 C CA -1.069 57.959 59.018 0.016 0.000 1.652 316 C CB 0.835 28.580 27.740 0.009 0.000 2.198 316 C HN 0.188 nan 8.230 nan 0.000 0.483 317 I N 1.754 122.332 120.570 0.013 0.000 2.406 317 I HA -0.122 4.047 4.170 -0.001 0.000 0.249 317 I C 2.581 178.763 176.117 0.109 0.000 1.122 317 I CA 1.847 63.202 61.300 0.092 0.000 1.431 317 I CB -0.553 37.577 38.000 0.217 0.000 1.087 317 I HN 0.860 nan 8.210 nan 0.000 0.424 318 S N -0.243 115.514 115.700 0.094 0.000 2.469 318 S HA -0.194 4.275 4.470 -0.001 0.000 0.238 318 S C 1.639 176.262 174.600 0.039 0.000 0.998 318 S CA 1.298 59.541 58.200 0.072 0.000 0.957 318 S CB -0.482 62.756 63.200 0.063 0.000 0.764 318 S HN 0.427 nan 8.310 nan 0.000 0.514 319 D N 0.391 120.808 120.400 0.029 0.000 2.340 319 D HA 0.160 4.799 4.640 -0.001 0.000 0.220 319 D C 1.381 177.671 176.300 -0.018 0.000 1.039 319 D CA -0.083 53.920 54.000 0.006 0.000 0.866 319 D CB -0.187 40.617 40.800 0.007 0.000 0.913 319 D HN 0.333 nan 8.370 nan 0.000 0.523 320 L N 0.625 121.846 121.223 -0.003 0.000 1.961 320 L HA -0.149 4.191 4.340 -0.001 0.000 0.210 320 L C 1.511 178.348 176.870 -0.054 0.000 1.072 320 L CA 1.926 56.751 54.840 -0.024 0.000 0.749 320 L CB -0.689 41.384 42.059 0.024 0.000 0.889 320 L HN -0.107 nan 8.230 nan 0.000 0.432 321 D N -0.447 119.937 120.400 -0.026 0.000 2.154 321 D HA -0.288 4.352 4.640 -0.001 0.000 0.190 321 D C 2.309 178.573 176.300 -0.061 0.000 1.003 321 D CA 1.790 55.771 54.000 -0.033 0.000 0.849 321 D CB -0.327 40.462 40.800 -0.019 0.000 0.942 321 D HN 0.329 nan 8.370 nan 0.000 0.446 322 R N 0.501 120.965 120.500 -0.059 0.000 2.103 322 R HA -0.147 4.192 4.340 -0.001 0.000 0.242 322 R C 2.153 178.375 176.300 -0.130 0.000 1.142 322 R CA 1.224 57.281 56.100 -0.072 0.000 0.960 322 R CB -0.190 30.081 30.300 -0.048 0.000 0.858 322 R HN 0.110 nan 8.270 nan 0.000 0.439 323 V N 0.768 120.576 119.914 -0.178 0.000 2.307 323 V HA -0.212 3.908 4.120 -0.001 0.000 0.245 323 V C 2.321 178.154 176.094 -0.437 0.000 1.045 323 V CA 2.126 64.222 62.300 -0.340 0.000 1.024 323 V CB -0.663 30.921 31.823 -0.399 0.000 0.651 323 V HN 0.464 nan 8.190 nan 0.000 0.449 324 E N 0.670 120.678 120.200 -0.319 0.000 2.070 324 E HA -0.288 4.061 4.350 -0.001 0.000 0.197 324 E C 2.205 178.707 176.600 -0.163 0.000 1.004 324 E CA 1.744 57.974 56.400 -0.282 0.000 0.805 324 E CB -0.290 29.380 29.700 -0.050 0.000 0.744 324 E HN 0.554 nan 8.360 nan 0.000 0.451 325 A N 0.680 123.445 122.820 -0.092 0.000 1.972 325 A HA -0.149 4.171 4.320 -0.001 0.000 0.219 325 A C 2.092 179.620 177.584 -0.093 0.000 1.169 325 A CA 1.241 53.254 52.037 -0.041 0.000 0.635 325 A CB -0.510 18.468 19.000 -0.038 0.000 0.810 325 A HN 0.394 nan 8.150 nan 0.000 0.446 326 L N -0.352 120.762 121.223 -0.182 0.000 2.109 326 L HA -0.018 4.321 4.340 -0.001 0.000 0.207 326 L C 2.167 178.853 176.870 -0.305 0.000 1.086 326 L CA 1.786 56.500 54.840 -0.210 0.000 0.760 326 L CB -0.224 41.703 42.059 -0.221 0.000 0.910 326 L HN 0.247 nan 8.230 nan 0.000 0.437 327 I N -2.017 118.250 120.570 -0.505 0.000 3.645 327 I HA 0.099 4.269 4.170 -0.001 0.000 0.300 327 I C 1.299 177.312 176.117 -0.174 0.000 1.260 327 I CA 0.219 61.111 61.300 -0.680 0.000 1.365 327 I CB -0.983 36.241 38.000 -1.294 0.000 1.077 327 I HN 0.161 nan 8.210 nan 0.000 0.439 328 F N 0.556 120.475 119.950 -0.051 0.000 2.850 328 F HA 0.355 4.881 4.527 -0.000 0.000 0.306 328 F C 1.276 177.002 175.800 -0.124 0.000 1.162 328 F CA -0.478 57.571 58.000 0.082 0.000 1.327 328 F CB 0.212 39.323 39.000 0.184 0.000 0.953 328 F HN 0.166 nan 8.300 nan 0.000 0.507 332 L N 0.507 121.728 121.223 -0.002 0.000 2.072 332 L HA 0.176 4.516 4.340 -0.001 0.000 0.205 332 L C 0.594 177.437 176.870 -0.046 0.000 1.079 332 L CA 0.723 55.575 54.840 0.020 0.000 0.752 332 L CB -0.135 41.927 42.059 0.006 0.000 0.906 332 L HN 0.046 nan 8.230 nan 0.000 0.436 333 L N 0.432 121.590 121.223 -0.109 0.000 3.472 333 L HA -0.213 4.126 4.340 -0.001 0.000 0.485 333 L C 1.398 177.933 176.870 -0.559 0.000 1.312 333 L CA 0.143 54.717 54.840 -0.443 0.000 0.869 333 L CB -1.997 39.808 42.059 -0.423 0.000 1.687 333 L HN 0.453 nan 8.230 nan 0.000 0.853 334 T N -3.811 110.572 114.554 -0.285 0.000 2.904 334 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 334 T C 1.545 176.135 174.700 -0.183 0.000 1.059 334 T CA 1.029 63.019 62.100 -0.183 0.000 1.137 334 T CB -0.281 68.563 68.868 -0.041 0.000 0.879 334 T HN 0.706 nan 8.240 nan 0.000 0.467 335 W N 1.559 122.870 121.300 0.018 0.000 2.480 335 W HA 0.149 4.809 4.660 -0.001 0.000 0.257 335 W C 0.878 177.427 176.519 0.050 0.000 1.235 335 W CA -0.614 56.764 57.345 0.056 0.000 1.218 335 W CB -0.996 28.565 29.460 0.168 0.000 1.131 335 W HN 0.230 nan 8.180 nan 0.000 0.606 336 I N 3.459 123.741 120.570 -0.480 0.000 2.800 336 I HA -0.047 4.122 4.170 -0.001 0.000 0.309 336 I C 0.318 176.222 176.117 -0.355 0.000 1.182 336 I CA 0.566 61.657 61.300 -0.348 0.000 1.794 336 I CB -0.151 37.518 38.000 -0.552 0.000 1.548 336 I HN -0.049 nan 8.210 nan 0.000 0.850 337 E N 5.588 125.391 120.200 -0.663 0.000 2.390 337 E HA 0.054 4.403 4.350 -0.001 0.000 0.261 337 E C 0.063 176.286 176.600 -0.629 0.000 1.076 337 E CA -0.293 55.664 56.400 -0.739 0.000 0.905 337 E CB 0.637 29.732 29.700 -1.009 0.000 0.984 337 E HN 0.446 nan 8.360 nan 0.000 0.427 338 N N 3.002 121.502 118.700 -0.333 0.000 2.918 338 N HA 0.194 4.934 4.740 -0.001 0.000 0.270 338 N C -2.497 172.965 175.510 -0.081 0.000 1.536 338 N CA -1.334 51.630 53.050 -0.144 0.000 0.877 338 N CB 0.581 39.019 38.487 -0.083 0.000 1.190 338 N HN 0.333 nan 8.380 nan 0.000 0.492 339 P HA 0.503 nan 4.420 nan 0.000 0.279 339 P C -2.909 174.432 177.300 0.067 0.000 1.276 339 P CA -1.367 61.741 63.100 0.013 0.000 0.801 339 P CB 0.019 31.753 31.700 0.057 0.000 1.127 340 P HA 0.195 nan 4.420 nan 0.000 0.271 340 P C -2.152 175.209 177.300 0.102 0.000 1.216 340 P CA -0.880 62.262 63.100 0.070 0.000 0.771 340 P CB -1.034 30.696 31.700 0.050 0.000 0.864 341 P HA 0.176 nan 4.420 nan 0.000 0.271 341 P C -0.549 176.798 177.300 0.079 0.000 1.218 341 P CA -0.065 63.107 63.100 0.120 0.000 0.780 341 P CB 0.913 32.673 31.700 0.100 0.000 0.901 342 R N 0.506 121.059 120.500 0.088 0.000 2.837 342 R HA 0.757 5.097 4.340 -0.001 0.000 0.271 342 R C -0.718 175.582 176.300 0.000 0.000 0.993 342 R CA -1.279 54.853 56.100 0.052 0.000 0.931 342 R CB 1.074 31.430 30.300 0.094 0.000 1.206 342 R HN 0.302 nan 8.270 nan 0.000 0.474 343 A N 3.334 126.138 122.820 -0.027 0.000 2.639 343 A HA 0.236 4.556 4.320 -0.001 0.000 0.295 343 A C -0.038 177.524 177.584 -0.036 0.000 1.443 343 A CA -0.199 51.797 52.037 -0.068 0.000 1.117 343 A CB -0.545 18.419 19.000 -0.058 0.000 1.098 343 A HN 0.460 nan 8.150 nan 0.000 0.552 344 I N 1.876 122.438 120.570 -0.013 0.000 2.359 344 I HA 0.297 4.466 4.170 -0.001 0.000 0.294 344 I C 0.790 176.956 176.117 0.082 0.000 0.987 344 I CA -0.295 61.044 61.300 0.065 0.000 1.225 344 I CB 1.591 39.714 38.000 0.206 0.000 1.366 344 I HN 0.684 nan 8.210 nan 0.000 0.466 345 R N 5.815 126.327 120.500 0.021 0.000 2.825 345 R HA 0.304 4.643 4.340 -0.001 0.000 0.261 345 R C -0.807 175.500 176.300 0.012 0.000 1.341 345 R CA -0.691 55.402 56.100 -0.012 0.000 1.353 345 R CB 0.131 30.401 30.300 -0.051 0.000 1.191 345 R HN 0.449 nan 8.270 nan 0.000 0.590 346 L N 2.922 124.204 121.223 0.099 0.000 2.410 346 L HA 0.310 4.650 4.340 -0.001 0.000 0.273 346 L C -0.943 176.003 176.870 0.128 0.000 1.152 346 L CA 0.986 55.910 54.840 0.140 0.000 0.855 346 L CB 1.543 43.776 42.059 0.291 0.000 1.129 346 L HN 0.495 nan 8.230 nan 0.000 0.463 347 T N 7.080 121.676 114.554 0.070 0.000 2.991 347 T HA 0.638 4.988 4.350 -0.001 0.000 0.303 347 T C -0.711 173.998 174.700 0.016 0.000 1.015 347 T CA -0.495 61.639 62.100 0.056 0.000 1.007 347 T CB 1.071 69.931 68.868 -0.014 0.000 1.034 347 T HN 0.736 nan 8.240 nan 0.000 0.446 348 L N 0.651 121.890 121.223 0.027 0.000 2.491 348 L HA 0.917 5.256 4.340 -0.001 0.000 0.254 348 L C -3.281 173.596 176.870 0.011 0.000 1.048 348 L CA -3.109 51.708 54.840 -0.038 0.000 0.855 348 L CB 1.713 43.680 42.059 -0.154 0.000 1.466 348 L HN 0.225 nan 8.230 nan 0.000 0.409 349 P HA 0.080 nan 4.420 nan 0.000 0.275 349 P C -1.393 175.897 177.300 -0.017 0.000 1.228 349 P CA -0.065 63.044 63.100 0.015 0.000 0.786 349 P CB 0.508 32.180 31.700 -0.046 0.000 0.927 350 Q N 2.945 122.741 119.800 -0.006 0.000 2.381 350 Q HA 0.124 4.463 4.340 -0.001 0.000 0.243 350 Q C -0.653 175.316 176.000 -0.052 0.000 1.154 350 Q CA -0.205 55.584 55.803 -0.022 0.000 0.899 350 Q CB -0.505 28.233 28.738 0.000 0.000 1.396 350 Q HN 0.455 nan 8.270 nan 0.000 0.485 351 L N 3.978 125.153 121.223 -0.080 0.000 2.462 351 L HA 0.082 4.422 4.340 -0.001 0.000 0.272 351 L C 0.562 177.373 176.870 -0.098 0.000 1.166 351 L CA 0.660 55.432 54.840 -0.114 0.000 0.880 351 L CB 0.400 42.353 42.059 -0.175 0.000 1.142 351 L HN 0.579 nan 8.230 nan 0.000 0.473 352 E N 4.881 125.028 120.200 -0.088 0.000 3.303 352 E HA 0.321 4.671 4.350 -0.001 0.000 0.215 352 E C -0.611 175.950 176.600 -0.064 0.000 1.181 352 E CA -0.295 56.069 56.400 -0.060 0.000 0.998 352 E CB 0.826 30.507 29.700 -0.033 0.000 1.312 352 E HN 0.505 nan 8.360 nan 0.000 0.412 353 I N 1.660 122.174 120.570 -0.094 0.000 2.575 353 I HA 0.214 4.384 4.170 -0.001 0.000 0.285 353 I C 0.607 176.715 176.117 -0.014 0.000 1.085 353 I CA 0.175 61.431 61.300 -0.073 0.000 1.403 353 I CB 0.629 38.559 38.000 -0.117 0.000 1.409 353 I HN 0.105 nan 8.210 nan 0.000 0.557 354 R N 3.246 123.760 120.500 0.023 0.000 2.854 354 R HA 0.824 5.164 4.340 -0.001 0.000 0.271 354 R C -0.629 175.729 176.300 0.098 0.000 0.994 354 R CA -0.971 55.167 56.100 0.063 0.000 0.945 354 R CB 2.307 32.645 30.300 0.063 0.000 1.194 354 R HN 0.823 nan 8.270 nan 0.000 0.476 355 G N -0.292 108.581 108.800 0.122 0.000 2.768 355 G HA2 0.426 4.386 3.960 -0.001 0.000 0.297 355 G HA3 0.426 4.386 3.960 -0.001 0.000 0.297 355 G C -1.650 173.306 174.900 0.093 0.000 1.430 355 G CA -0.336 44.869 45.100 0.174 0.000 1.030 355 G HN 0.390 nan 8.290 nan 0.000 0.553 356 S N 0.774 116.539 115.700 0.108 0.000 2.603 356 S HA 0.839 5.308 4.470 -0.001 0.000 0.274 356 S C -1.252 173.384 174.600 0.061 0.000 1.168 356 S CA -0.726 57.440 58.200 -0.057 0.000 0.963 356 S CB 0.620 63.839 63.200 0.033 0.000 1.078 356 S HN 1.648 nan 8.310 nan 0.000 0.477 357 Y N 1.014 121.342 120.300 0.048 0.000 2.677 357 Y HA 0.645 5.195 4.550 -0.001 0.000 0.334 357 Y C -0.909 175.009 175.900 0.030 0.000 1.196 357 Y CA -1.273 56.847 58.100 0.033 0.000 1.059 357 Y CB 0.507 38.981 38.460 0.023 0.000 1.315 357 Y HN 0.541 nan 8.280 nan 0.000 0.455 358 N N 1.347 120.169 118.700 0.203 0.000 2.426 358 N HA 0.230 4.970 4.740 -0.001 0.000 0.257 358 N C 0.022 175.615 175.510 0.138 0.000 1.002 358 N CA -0.521 52.601 53.050 0.120 0.000 0.942 358 N CB 1.386 39.918 38.487 0.076 0.000 1.112 358 N HN 0.825 nan 8.380 nan 0.000 0.499 359 L N 3.187 124.479 121.223 0.114 0.000 2.187 359 L HA -0.115 4.224 4.340 -0.001 0.000 0.213 359 L C 2.026 178.899 176.870 0.005 0.000 1.100 359 L CA 1.531 56.419 54.840 0.079 0.000 0.765 359 L CB -0.483 41.598 42.059 0.036 0.000 0.904 359 L HN 0.696 nan 8.230 nan 0.000 0.437 360 Q N -0.935 118.853 119.800 -0.019 0.000 2.226 360 Q HA -0.199 4.140 4.340 -0.001 0.000 0.204 360 Q C 1.541 177.528 176.000 -0.020 0.000 0.975 360 Q CA 1.370 57.147 55.803 -0.044 0.000 0.866 360 Q CB -0.074 28.634 28.738 -0.050 0.000 0.915 360 Q HN 0.560 nan 8.270 nan 0.000 0.440 361 D N 0.427 120.829 120.400 0.004 0.000 2.137 361 D HA -0.074 4.566 4.640 -0.001 0.000 0.202 361 D C 1.983 178.274 176.300 -0.016 0.000 0.970 361 D CA 0.766 54.766 54.000 -0.000 0.000 0.837 361 D CB -0.012 40.797 40.800 0.016 0.000 0.981 361 D HN 0.229 nan 8.370 nan 0.000 0.475 362 L N 0.586 121.800 121.223 -0.014 0.000 2.046 362 L HA -0.140 4.199 4.340 -0.001 0.000 0.208 362 L C 2.607 179.457 176.870 -0.033 0.000 1.077 362 L CA 0.755 55.571 54.840 -0.040 0.000 0.747 362 L CB -0.486 41.547 42.059 -0.043 0.000 0.896 362 L HN 0.029 nan 8.230 nan 0.000 0.432 363 L N -0.231 120.977 121.223 -0.026 0.000 2.093 363 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 363 L C 2.908 179.764 176.870 -0.023 0.000 1.085 363 L CA 1.055 55.879 54.840 -0.026 0.000 0.755 363 L CB -0.695 41.341 42.059 -0.038 0.000 0.904 363 L HN 0.225 nan 8.230 nan 0.000 0.435 364 A N -0.175 122.630 122.820 -0.024 0.000 1.933 364 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 364 A C 2.171 179.743 177.584 -0.020 0.000 1.175 364 A CA 1.800 53.825 52.037 -0.020 0.000 0.628 364 A CB -0.427 18.561 19.000 -0.019 0.000 0.814 364 A HN 0.355 nan 8.150 nan 0.000 0.444 365 E N 0.030 120.214 120.200 -0.026 0.000 2.118 365 E HA -0.189 4.160 4.350 -0.001 0.000 0.195 365 E C 1.173 177.759 176.600 -0.023 0.000 0.992 365 E CA 1.307 57.689 56.400 -0.030 0.000 0.804 365 E CB -0.161 29.512 29.700 -0.045 0.000 0.741 365 E HN 0.485 nan 8.360 nan 0.000 0.458 366 D N -0.254 120.134 120.400 -0.020 0.000 2.336 366 D HA -0.010 4.629 4.640 -0.001 0.000 0.229 366 D C -0.413 175.887 176.300 -0.001 0.000 1.061 366 D CA 0.223 54.218 54.000 -0.008 0.000 0.875 366 D CB -0.045 40.753 40.800 -0.004 0.000 0.904 366 D HN 0.111 nan 8.370 nan 0.000 0.525 367 K N -0.657 119.740 120.400 -0.006 0.000 3.167 367 K HA -0.176 4.144 4.320 -0.001 0.000 0.272 367 K C -0.215 176.385 176.600 -0.000 0.000 1.137 367 K CA 0.296 56.582 56.287 -0.002 0.000 0.800 367 K CB -1.782 30.720 32.500 0.002 0.000 1.253 367 K HN 0.241 nan 8.250 nan 0.000 0.497 368 L N -0.691 120.529 121.223 -0.005 0.000 3.083 368 L HA 0.181 4.521 4.340 -0.001 0.000 0.286 368 L C -1.265 175.595 176.870 -0.016 0.000 1.307 368 L CA -1.459 53.378 54.840 -0.006 0.000 0.897 368 L CB 0.488 42.546 42.059 -0.002 0.000 1.306 368 L HN -0.060 nan 8.230 nan 0.000 0.569 369 P HA -0.205 nan 4.420 nan 0.000 0.216 369 P C 1.148 178.430 177.300 -0.029 0.000 1.154 369 P CA 1.661 64.748 63.100 -0.022 0.000 0.865 369 P CB -0.107 31.584 31.700 -0.016 0.000 0.789 370 T N -4.099 110.440 114.554 -0.024 0.000 3.264 370 T HA 0.252 4.602 4.350 -0.001 0.000 0.257 370 T C 1.348 176.028 174.700 -0.033 0.000 0.976 370 T CA -0.426 61.657 62.100 -0.028 0.000 0.908 370 T CB -0.928 67.930 68.868 -0.017 0.000 1.082 370 T HN -0.065 nan 8.240 nan 0.000 0.567 371 L N 0.250 121.448 121.223 -0.042 0.000 2.023 371 L HA 0.354 4.694 4.340 -0.001 0.000 0.205 371 L C 1.426 178.248 176.870 -0.080 0.000 1.073 371 L CA 1.317 56.129 54.840 -0.046 0.000 0.745 371 L CB 0.087 42.119 42.059 -0.044 0.000 0.900 371 L HN 0.377 nan 8.230 nan 0.000 0.435 372 L N -0.398 120.746 121.223 -0.131 0.000 3.017 372 L HA 0.315 4.655 4.340 -0.001 0.000 0.255 372 L C 0.984 177.764 176.870 -0.150 0.000 1.247 372 L CA -0.404 54.310 54.840 -0.210 0.000 1.038 372 L CB 0.190 42.005 42.059 -0.408 0.000 1.380 372 L HN 0.189 nan 8.230 nan 0.000 0.548 373 G N -0.245 108.503 108.800 -0.087 0.000 2.546 373 G HA2 0.307 4.266 3.960 -0.001 0.000 0.239 373 G HA3 0.307 4.266 3.960 -0.001 0.000 0.239 373 G C 1.043 175.920 174.900 -0.040 0.000 1.476 373 G CA 0.363 45.429 45.100 -0.057 0.000 1.064 373 G HN 0.191 nan 8.290 nan 0.000 0.561 374 A N -1.425 121.380 122.820 -0.025 0.000 2.119 374 A HA 0.162 4.482 4.320 -0.001 0.000 0.216 374 A C 1.910 179.490 177.584 -0.008 0.000 1.152 374 A CA 1.346 53.375 52.037 -0.014 0.000 0.708 374 A CB -0.168 18.826 19.000 -0.010 0.000 0.805 374 A HN 0.624 nan 8.150 nan 0.000 0.460 375 E N -0.038 120.156 120.200 -0.010 0.000 2.478 375 E HA 0.253 4.603 4.350 -0.001 0.000 0.194 375 E C 0.729 177.327 176.600 -0.003 0.000 1.045 375 E CA 0.035 56.432 56.400 -0.004 0.000 0.868 375 E CB 0.065 29.762 29.700 -0.004 0.000 0.885 375 E HN 0.591 nan 8.360 nan 0.000 0.505 376 A N 2.079 124.894 122.820 -0.009 0.000 2.540 376 A HA -0.039 4.281 4.320 -0.001 0.000 0.239 376 A C 0.320 177.909 177.584 0.009 0.000 1.061 376 A CA -0.032 52.002 52.037 -0.005 0.000 0.758 376 A CB 0.088 19.076 19.000 -0.020 0.000 0.991 376 A HN 0.072 nan 8.150 nan 0.000 0.502 377 N N 2.556 121.263 118.700 0.012 0.000 2.719 377 N HA 0.244 4.983 4.740 -0.001 0.000 0.243 377 N C -0.574 174.942 175.510 0.010 0.000 1.104 377 N CA 0.017 53.073 53.050 0.010 0.000 0.981 377 N CB -0.079 38.412 38.487 0.006 0.000 1.290 377 N HN 0.587 nan 8.380 nan 0.000 0.513 378 L N 2.509 123.740 121.223 0.014 0.000 3.108 378 L HA 0.286 4.625 4.340 -0.001 0.000 0.251 378 L C 1.246 178.089 176.870 -0.044 0.000 1.315 378 L CA -0.264 54.575 54.840 -0.003 0.000 1.048 378 L CB 0.002 42.090 42.059 0.049 0.000 1.432 378 L HN 0.306 nan 8.230 nan 0.000 0.543 379 N N 0.580 119.260 118.700 -0.032 0.000 2.520 379 N HA -0.085 4.655 4.740 -0.001 0.000 0.185 379 N C 0.952 176.423 175.510 -0.065 0.000 1.068 379 N CA 0.724 53.752 53.050 -0.035 0.000 0.911 379 N CB 0.165 38.639 38.487 -0.021 0.000 0.961 379 N HN 0.415 nan 8.380 nan 0.000 0.446 380 N N 0.688 119.335 118.700 -0.087 0.000 2.461 380 N HA 0.114 4.854 4.740 -0.001 0.000 0.188 380 N C 1.533 176.924 175.510 -0.199 0.000 1.134 380 N CA 0.045 53.045 53.050 -0.083 0.000 0.878 380 N CB 0.298 38.764 38.487 -0.035 0.000 0.972 380 N HN 0.382 nan 8.380 nan 0.000 0.456 381 I N -0.906 119.447 120.570 -0.363 0.000 2.429 381 I HA 0.071 4.241 4.170 -0.001 0.000 0.247 381 I C 1.388 177.356 176.117 -0.249 0.000 1.099 381 I CA 0.475 61.364 61.300 -0.686 0.000 1.422 381 I CB 0.030 37.604 38.000 -0.711 0.000 1.112 381 I HN 0.034 nan 8.210 nan 0.000 0.430 382 G N -0.935 107.785 108.800 -0.134 0.000 2.921 382 G HA2 0.127 4.087 3.960 -0.001 0.000 0.291 382 G HA3 0.127 4.087 3.960 -0.001 0.000 0.291 382 G C -0.544 174.182 174.900 -0.290 0.000 1.370 382 G CA -0.177 44.743 45.100 -0.299 0.000 0.847 382 G HN -0.094 nan 8.290 nan 0.000 0.532 383 D N -0.700 119.437 120.400 -0.437 0.000 2.269 383 D HA 0.079 4.719 4.640 -0.001 0.000 0.208 383 D C 1.442 177.627 176.300 -0.191 0.000 0.963 383 D CA 1.399 55.240 54.000 -0.265 0.000 0.864 383 D CB 0.224 40.865 40.800 -0.264 0.000 0.936 383 D HN 0.528 nan 8.370 nan 0.000 0.505 384 T N -2.657 111.769 114.554 -0.213 0.000 2.907 384 T HA 0.361 4.711 4.350 -0.001 0.000 0.290 384 T C -0.292 174.477 174.700 0.115 0.000 1.066 384 T CA -1.063 61.025 62.100 -0.020 0.000 1.012 384 T CB 1.457 70.353 68.868 0.045 0.000 1.184 384 T HN -0.198 nan 8.240 nan 0.000 0.522 385 N N 3.007 121.774 118.700 0.111 0.000 2.405 385 N HA 0.315 5.055 4.740 -0.001 0.000 0.260 385 N C -2.111 173.499 175.510 0.166 0.000 1.152 385 N CA -1.444 51.673 53.050 0.113 0.000 0.948 385 N CB 0.256 38.776 38.487 0.055 0.000 1.111 385 N HN 0.449 nan 8.380 nan 0.000 0.485 386 P HA 0.056 nan 4.420 nan 0.000 0.270 386 P C -0.718 176.568 177.300 -0.024 0.000 1.223 386 P CA -0.228 62.865 63.100 -0.011 0.000 0.785 386 P CB 0.594 32.224 31.700 -0.116 0.000 0.923 387 R N 2.227 122.679 120.500 -0.080 0.000 2.247 387 R HA 0.323 4.662 4.340 -0.001 0.000 0.329 387 R C -1.186 175.090 176.300 -0.040 0.000 1.014 387 R CA -0.766 55.310 56.100 -0.040 0.000 0.907 387 R CB -0.724 29.557 30.300 -0.031 0.000 1.146 387 R HN 0.167 nan 8.270 nan 0.000 0.499 388 V N 5.236 125.147 119.914 -0.006 0.000 2.439 388 V HA 0.231 4.350 4.120 -0.001 0.000 0.271 388 V C 1.352 177.453 176.094 0.011 0.000 1.040 388 V CA 0.675 62.992 62.300 0.030 0.000 1.002 388 V CB 1.047 32.891 31.823 0.036 0.000 1.000 388 V HN 0.963 nan 8.190 nan 0.000 0.477 389 G N 4.549 113.369 108.800 0.033 0.000 2.545 389 G HA2 0.138 4.097 3.960 -0.001 0.000 0.212 389 G HA3 0.138 4.097 3.960 -0.001 0.000 0.212 389 G C 0.372 175.296 174.900 0.039 0.000 1.144 389 G CA 0.498 45.614 45.100 0.027 0.000 0.813 389 G HN 0.771 nan 8.290 nan 0.000 0.531 390 E N -1.154 119.091 120.200 0.075 0.000 2.375 390 E HA 0.456 4.806 4.350 -0.001 0.000 0.280 390 E C -1.994 174.686 176.600 0.133 0.000 0.972 390 E CA -0.848 55.600 56.400 0.079 0.000 0.782 390 E CB 1.935 31.686 29.700 0.084 0.000 1.229 390 E HN -0.124 nan 8.360 nan 0.000 0.439 391 V N 3.315 123.285 119.914 0.092 0.000 2.250 391 V HA 0.237 4.357 4.120 -0.001 0.000 0.268 391 V C -0.531 175.637 176.094 0.123 0.000 1.043 391 V CA -0.648 61.743 62.300 0.152 0.000 0.814 391 V CB 0.537 32.353 31.823 -0.012 0.000 1.072 391 V HN 0.644 nan 8.190 nan 0.000 0.451 392 L N 4.575 125.873 121.223 0.124 0.000 2.326 392 L HA 0.479 4.819 4.340 -0.001 0.000 0.278 392 L C 0.152 176.975 176.870 -0.077 0.000 1.092 392 L CA 0.553 55.390 54.840 -0.005 0.000 0.810 392 L CB 0.824 42.852 42.059 -0.051 0.000 1.153 392 L HN 0.561 nan 8.230 nan 0.000 0.439 393 N N 2.828 121.397 118.700 -0.217 0.000 2.407 393 N HA 0.368 5.108 4.740 -0.001 0.000 0.277 393 N C -1.436 173.832 175.510 -0.403 0.000 0.995 393 N CA -0.422 52.458 53.050 -0.283 0.000 0.903 393 N CB 1.598 39.907 38.487 -0.296 0.000 1.218 393 N HN 0.533 nan 8.380 nan 0.000 0.487 394 S N 3.200 118.769 115.700 -0.219 0.000 2.647 394 S HA 0.559 5.029 4.470 -0.001 0.000 0.300 394 S C -0.843 173.825 174.600 0.112 0.000 1.129 394 S CA -0.568 57.589 58.200 -0.072 0.000 1.029 394 S CB 0.478 63.679 63.200 0.002 0.000 1.007 394 S HN 0.380 nan 8.310 nan 0.000 0.484 395 I N 3.810 124.451 120.570 0.118 0.000 2.693 395 I HA 0.632 4.802 4.170 -0.001 0.000 0.303 395 I C -1.176 175.026 176.117 0.142 0.000 1.025 395 I CA -1.163 60.242 61.300 0.176 0.000 1.086 395 I CB 2.051 40.182 38.000 0.218 0.000 1.268 395 I HN 0.460 nan 8.210 nan 0.000 0.440 396 L N 5.858 127.150 121.223 0.115 0.000 2.491 396 L HA 0.530 4.870 4.340 -0.001 0.000 0.267 396 L C -1.781 175.103 176.870 0.023 0.000 0.971 396 L CA -0.123 54.767 54.840 0.084 0.000 0.857 396 L CB 1.566 43.696 42.059 0.118 0.000 1.226 396 L HN 0.537 nan 8.230 nan 0.000 0.408 397 L N 4.352 125.534 121.223 -0.070 0.000 2.307 397 L HA 0.638 4.977 4.340 -0.001 0.000 0.284 397 L C -0.780 176.024 176.870 -0.109 0.000 1.023 397 L CA -0.194 54.545 54.840 -0.168 0.000 0.810 397 L CB 1.370 43.211 42.059 -0.363 0.000 1.231 397 L HN 0.663 nan 8.230 nan 0.000 0.423 398 E N 5.197 125.355 120.200 -0.071 0.000 2.241 398 E HA 0.382 4.731 4.350 -0.001 0.000 0.263 398 E C -1.568 175.000 176.600 -0.053 0.000 0.882 398 E CA -0.807 55.552 56.400 -0.067 0.000 0.769 398 E CB 2.870 32.535 29.700 -0.058 0.000 1.185 398 E HN 0.256 nan 8.360 nan 0.000 0.415 399 L N 3.189 124.368 121.223 -0.073 0.000 2.333 399 L HA 0.472 4.812 4.340 -0.001 0.000 0.280 399 L C -0.942 175.884 176.870 -0.073 0.000 1.004 399 L CA -0.244 54.550 54.840 -0.076 0.000 0.820 399 L CB 1.124 43.116 42.059 -0.112 0.000 1.247 399 L HN 0.421 nan 8.230 nan 0.000 0.416 400 K N 2.551 122.908 120.400 -0.071 0.000 2.508 400 K HA 0.820 5.139 4.320 -0.001 0.000 0.260 400 K C -1.066 175.518 176.600 -0.027 0.000 0.949 400 K CA -0.891 55.370 56.287 -0.042 0.000 0.834 400 K CB 2.017 34.494 32.500 -0.038 0.000 1.365 400 K HN 0.618 nan 8.250 nan 0.000 0.437 401 A N 0.640 123.471 122.820 0.018 0.000 2.450 401 A HA 0.353 4.673 4.320 -0.001 0.000 0.255 401 A C 1.006 178.624 177.584 0.058 0.000 1.096 401 A CA 0.230 52.310 52.037 0.072 0.000 0.778 401 A CB 0.107 19.167 19.000 0.099 0.000 1.031 401 A HN 0.917 nan 8.150 nan 0.000 0.494 402 G N 1.475 110.326 108.800 0.085 0.000 2.880 402 G HA2 0.322 4.281 3.960 -0.001 0.000 0.209 402 G HA3 0.322 4.281 3.960 -0.001 0.000 0.209 402 G C 0.419 175.355 174.900 0.061 0.000 1.157 402 G CA 0.391 45.527 45.100 0.061 0.000 0.779 402 G HN 0.773 nan 8.290 nan 0.000 0.539 403 E N -1.626 118.618 120.200 0.073 0.000 2.446 403 E HA 0.621 4.970 4.350 -0.001 0.000 0.269 403 E C -1.114 175.514 176.600 0.047 0.000 0.977 403 E CA -0.753 55.679 56.400 0.054 0.000 0.854 403 E CB 1.968 31.701 29.700 0.055 0.000 1.545 403 E HN 0.083 nan 8.360 nan 0.000 0.448 418 E N 1.686 121.872 120.200 -0.025 0.000 2.283 418 E HA 0.679 5.029 4.350 -0.001 0.000 0.271 418 E C -0.629 175.954 176.600 -0.029 0.000 1.031 418 E CA -0.894 55.490 56.400 -0.027 0.000 0.868 418 E CB 1.957 31.643 29.700 -0.023 0.000 1.094 418 E HN 0.380 nan 8.360 nan 0.000 0.401 419 A N 2.864 125.663 122.820 -0.034 0.000 2.365 419 A HA 0.423 4.742 4.320 -0.001 0.000 0.318 419 A C -0.725 176.839 177.584 -0.033 0.000 1.091 419 A CA -0.918 51.098 52.037 -0.035 0.000 0.763 419 A CB 1.167 20.138 19.000 -0.047 0.000 1.248 419 A HN 0.649 nan 8.150 nan 0.000 0.442 420 L N 1.463 122.668 121.223 -0.030 0.000 2.514 420 L HA 0.188 4.528 4.340 -0.001 0.000 0.280 420 L C -0.635 176.200 176.870 -0.058 0.000 1.223 420 L CA 0.675 55.490 54.840 -0.042 0.000 0.864 420 L CB 0.144 42.176 42.059 -0.045 0.000 1.118 420 L HN 0.600 nan 8.230 nan 0.000 0.494 421 D N 4.503 124.864 120.400 -0.065 0.000 2.233 421 D HA 0.365 5.005 4.640 -0.001 0.000 0.240 421 D C -0.904 175.340 176.300 -0.093 0.000 1.074 421 D CA -0.062 53.898 54.000 -0.067 0.000 0.838 421 D CB 1.901 42.668 40.800 -0.055 0.000 1.124 421 D HN 0.325 nan 8.370 nan 0.000 0.475 422 V N 2.488 122.346 119.914 -0.092 0.000 2.443 422 V HA 0.374 4.494 4.120 -0.001 0.000 0.293 422 V C -0.062 175.993 176.094 -0.065 0.000 1.021 422 V CA -0.425 61.813 62.300 -0.105 0.000 0.848 422 V CB 1.986 33.713 31.823 -0.161 0.000 0.998 422 V HN 0.497 nan 8.190 nan 0.000 0.424 423 T N 6.110 120.628 114.554 -0.060 0.000 2.881 423 T HA 0.505 4.854 4.350 -0.001 0.000 0.291 423 T C -0.519 174.147 174.700 -0.057 0.000 0.990 423 T CA -0.380 61.688 62.100 -0.053 0.000 0.976 423 T CB 1.346 70.187 68.868 -0.045 0.000 0.970 423 T HN 0.247 nan 8.240 nan 0.000 0.438 424 L N 3.977 125.151 121.223 -0.083 0.000 2.389 424 L HA 0.288 4.627 4.340 -0.001 0.000 0.265 424 L C 1.330 178.290 176.870 0.150 0.000 1.167 424 L CA 0.144 54.926 54.840 -0.097 0.000 1.045 424 L CB -0.029 41.732 42.059 -0.497 0.000 1.351 424 L HN 0.800 nan 8.230 nan 0.000 0.419 425 S N -1.893 113.843 115.700 0.059 0.000 2.593 425 S HA 0.372 4.842 4.470 -0.001 0.000 0.236 425 S C 0.485 174.766 174.600 -0.532 0.000 0.991 425 S CA -0.099 58.101 58.200 -0.000 0.000 0.963 425 S CB 0.080 63.286 63.200 0.010 0.000 0.865 425 S HN 0.450 nan 8.310 nan 0.000 0.488 426 S N -0.042 115.352 115.700 -0.509 0.000 2.638 426 S HA 0.752 5.221 4.470 -0.001 0.000 0.274 426 S C -3.539 171.051 174.600 -0.017 0.000 1.157 426 S CA -1.693 56.211 58.200 -0.494 0.000 0.826 426 S CB 0.705 63.824 63.200 -0.136 0.000 1.139 426 S HN 0.003 nan 8.310 nan 0.000 0.474 427 P HA 0.458 nan 4.420 nan 0.000 0.268 427 P C -0.937 176.614 177.300 0.419 0.000 1.205 427 P CA -0.104 63.251 63.100 0.425 0.000 0.771 427 P CB -0.089 31.771 31.700 0.267 0.000 0.858 428 F N 0.245 120.345 119.950 0.250 0.000 2.631 428 F HA 0.614 5.140 4.527 -0.001 0.000 0.308 428 F C -1.639 174.294 175.800 0.221 0.000 1.097 428 F CA -1.509 56.599 58.000 0.181 0.000 0.952 428 F CB 0.842 39.952 39.000 0.183 0.000 1.307 428 F HN -0.036 nan 8.300 nan 0.000 0.450 429 L N 2.942 124.317 121.223 0.253 0.000 2.379 429 L HA 0.663 5.002 4.340 -0.001 0.000 0.269 429 L C -0.621 176.546 176.870 0.495 0.000 1.084 429 L CA -0.859 54.130 54.840 0.249 0.000 0.802 429 L CB 1.371 43.427 42.059 -0.006 0.000 1.175 429 L HN 0.815 nan 8.230 nan 0.000 0.448 430 F N 0.322 120.458 119.950 0.311 0.000 2.662 430 F HA 0.924 5.451 4.527 -0.001 0.000 0.312 430 F C -1.083 174.874 175.800 0.261 0.000 1.113 430 F CA -1.149 57.030 58.000 0.299 0.000 0.951 430 F CB 1.807 40.963 39.000 0.261 0.000 1.344 430 F HN 0.474 nan 8.300 nan 0.000 0.462 431 A N 2.610 125.528 122.820 0.163 0.000 2.512 431 A HA 0.669 4.989 4.320 -0.001 0.000 0.294 431 A C -1.723 175.974 177.584 0.189 0.000 1.054 431 A CA -0.566 51.469 52.037 -0.004 0.000 0.756 431 A CB 0.855 19.896 19.000 0.068 0.000 1.293 431 A HN 0.835 nan 8.150 nan 0.000 0.395 432 I N 2.764 123.443 120.570 0.181 0.000 2.331 432 I HA 0.396 4.566 4.170 -0.001 0.000 0.292 432 I C -0.570 175.704 176.117 0.262 0.000 0.998 432 I CA -0.425 61.006 61.300 0.218 0.000 1.267 432 I CB 1.141 39.228 38.000 0.145 0.000 1.386 432 I HN 0.769 nan 8.210 nan 0.000 0.476 433 Y N 6.512 126.896 120.300 0.140 0.000 2.536 433 Y HA 0.441 4.990 4.550 -0.001 0.000 0.347 433 Y C -0.795 175.204 175.900 0.165 0.000 1.000 433 Y CA -0.822 57.344 58.100 0.111 0.000 1.051 433 Y CB 1.780 40.281 38.460 0.069 0.000 1.259 433 Y HN 0.459 nan 8.280 nan 0.000 0.468 434 E N 4.246 123.974 120.200 -0.787 0.000 2.165 434 E HA 0.173 4.523 4.350 -0.001 0.000 0.266 434 E C -0.477 175.581 176.600 -0.903 0.000 0.889 434 E CA -0.309 55.779 56.400 -0.520 0.000 0.756 434 E CB 1.929 31.570 29.700 -0.099 0.000 1.131 434 E HN 1.002 nan 8.360 nan 0.000 0.411 435 Q N 2.100 121.667 119.800 -0.388 0.000 2.224 435 Q HA -0.129 4.210 4.340 -0.001 0.000 0.203 435 Q C 0.408 176.372 176.000 -0.060 0.000 0.970 435 Q CA 1.472 57.208 55.803 -0.112 0.000 0.865 435 Q CB 0.310 29.096 28.738 0.080 0.000 0.922 435 Q HN 0.476 nan 8.270 nan 0.000 0.445 436 D N -0.309 120.039 120.400 -0.086 0.000 2.255 436 D HA -0.087 4.553 4.640 -0.001 0.000 0.224 436 D C 2.027 178.303 176.300 -0.041 0.000 0.997 436 D CA 1.491 55.472 54.000 -0.032 0.000 0.906 436 D CB -0.072 40.720 40.800 -0.014 0.000 1.047 436 D HN 0.137 nan 8.370 nan 0.000 0.458 437 S N -0.565 115.093 115.700 -0.070 0.000 2.423 437 S HA 0.073 4.542 4.470 -0.001 0.000 0.231 437 S C 1.905 176.456 174.600 -0.082 0.000 1.014 437 S CA 0.948 59.108 58.200 -0.066 0.000 0.965 437 S CB -0.293 62.864 63.200 -0.071 0.000 0.785 437 S HN 0.439 nan 8.310 nan 0.000 0.495 438 G N 0.491 109.194 108.800 -0.161 0.000 2.136 438 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.242 438 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.242 438 G C 0.051 174.897 174.900 -0.090 0.000 0.989 438 G CA 0.190 45.259 45.100 -0.052 0.000 0.682 438 G HN 0.608 nan 8.290 nan 0.000 0.522 439 T N 1.356 115.721 114.554 -0.316 0.000 2.761 439 T HA 0.477 4.827 4.350 -0.001 0.000 0.296 439 T C 0.869 175.313 174.700 -0.428 0.000 0.934 439 T CA -0.182 61.678 62.100 -0.400 0.000 1.091 439 T CB 1.084 69.597 68.868 -0.592 0.000 0.896 439 T HN 0.302 nan 8.240 nan 0.000 0.515 440 L N 4.945 126.009 121.223 -0.264 0.000 2.385 440 L HA 0.152 4.492 4.340 -0.001 0.000 0.281 440 L C 1.584 178.211 176.870 -0.404 0.000 1.106 440 L CA -0.341 54.366 54.840 -0.222 0.000 0.856 440 L CB 0.335 42.216 42.059 -0.296 0.000 1.186 440 L HN 0.793 nan 8.230 nan 0.000 0.453 441 H N 3.716 122.662 119.070 -0.207 0.000 2.465 441 H HA 0.183 4.739 4.556 -0.001 0.000 0.289 441 H C -0.393 174.491 175.328 -0.740 0.000 1.022 441 H CA 0.777 56.596 56.048 -0.382 0.000 1.340 441 H CB 0.526 30.150 29.762 -0.230 0.000 1.437 441 H HN 0.307 nan 8.280 nan 0.000 0.539 442 F N 0.298 120.181 119.950 -0.112 0.000 2.619 442 F HA 0.350 4.877 4.527 -0.001 0.000 0.308 442 F C -1.091 174.444 175.800 -0.442 0.000 1.097 442 F CA -1.241 56.620 58.000 -0.232 0.000 0.953 442 F CB 1.923 40.818 39.000 -0.175 0.000 1.287 442 F HN -0.225 nan 8.300 nan 0.000 0.446 443 L N 0.569 121.519 121.223 -0.455 0.000 2.482 443 L HA 1.111 5.450 4.340 -0.001 0.000 0.263 443 L C -0.659 175.585 176.870 -1.044 0.000 0.957 443 L CA -0.530 53.726 54.840 -0.973 0.000 0.836 443 L CB 1.621 42.872 42.059 -1.348 0.000 1.324 443 L HN 0.748 nan 8.230 nan 0.000 0.406 444 G N 1.055 109.117 108.800 -1.229 0.000 2.619 444 G HA2 0.720 4.680 3.960 -0.001 0.000 0.305 444 G HA3 0.720 4.680 3.960 -0.001 0.000 0.305 444 G C -2.111 172.768 174.900 -0.035 0.000 1.330 444 G CA -1.015 43.793 45.100 -0.485 0.000 0.789 444 G HN 0.754 nan 8.290 nan 0.000 0.487 445 R N -0.592 120.068 120.500 0.266 0.000 2.574 445 R HA 0.604 4.944 4.340 -0.001 0.000 0.288 445 R C -1.688 174.656 176.300 0.073 0.000 1.004 445 R CA -0.526 55.692 56.100 0.197 0.000 0.895 445 R CB 2.279 32.693 30.300 0.190 0.000 1.191 445 R HN 0.347 nan 8.270 nan 0.000 0.444 446 V N 5.432 125.217 119.914 -0.216 0.000 2.257 446 V HA 0.190 4.310 4.120 -0.001 0.000 0.269 446 V C 0.494 176.502 176.094 -0.144 0.000 1.040 446 V CA -0.430 61.672 62.300 -0.330 0.000 0.813 446 V CB 0.961 32.307 31.823 -0.794 0.000 1.065 446 V HN 0.902 nan 8.190 nan 0.000 0.457 447 N N 2.781 121.484 118.700 0.005 0.000 2.173 447 N HA -0.016 4.724 4.740 -0.001 0.000 0.184 447 N C 0.690 176.334 175.510 0.223 0.000 1.025 447 N CA 0.543 53.672 53.050 0.133 0.000 0.852 447 N CB 0.177 38.711 38.487 0.079 0.000 0.998 447 N HN 0.529 nan 8.380 nan 0.000 0.427 448 N N 0.159 118.893 118.700 0.056 0.000 2.295 448 N HA 0.329 5.069 4.740 -0.001 0.000 0.293 448 N C -3.093 172.336 175.510 -0.134 0.000 1.040 448 N CA -1.907 51.144 53.050 0.001 0.000 0.840 448 N CB 2.096 40.600 38.487 0.029 0.000 1.468 448 N HN -0.127 nan 8.380 nan 0.000 0.478 449 P HA 0.264 nan 4.420 nan 0.000 0.304 449 P C -0.443 176.784 177.300 -0.121 0.000 1.385 449 P CA -0.224 62.750 63.100 -0.210 0.000 0.896 449 P CB 1.254 32.763 31.700 -0.319 0.000 0.958 450 Q N 0.000 119.757 119.800 -0.072 0.000 2.315 450 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 450 Q CA 0.000 55.779 55.803 -0.041 0.000 1.022 450 Q CB 0.000 28.716 28.738 -0.037 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481