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 1xny_1_B DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYDVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.346 176.300 0.077 0.000 2.045 10 D CA 0.000 54.037 54.000 0.062 0.000 0.868 10 D CB 0.000 40.835 40.800 0.059 0.000 0.688 11 I N 3.251 123.882 120.570 0.102 0.000 2.916 11 I HA -0.042 4.128 4.170 -0.000 0.000 0.267 11 I C 1.048 177.154 176.117 -0.018 0.000 1.263 11 I CA 1.394 62.715 61.300 0.035 0.000 1.471 11 I CB -0.240 37.763 38.000 0.006 0.000 1.089 11 I HN 0.419 nan 8.210 nan 0.000 0.468 12 H N -0.684 118.381 119.070 -0.008 0.000 2.524 12 H HA 0.239 4.794 4.556 -0.000 0.000 0.280 12 H C 0.606 175.930 175.328 -0.006 0.000 1.018 12 H CA 0.547 56.591 56.048 -0.007 0.000 1.165 12 H CB -0.357 29.401 29.762 -0.006 0.000 1.411 12 H HN 0.349 nan 8.280 nan 0.000 0.569 13 T N -4.903 109.696 114.554 0.075 0.000 2.930 13 T HA 0.209 4.559 4.350 -0.000 0.000 0.290 13 T C 1.379 176.087 174.700 0.014 0.000 1.052 13 T CA -0.622 61.503 62.100 0.043 0.000 1.017 13 T CB 1.862 70.754 68.868 0.038 0.000 1.137 13 T HN -0.049 nan 8.240 nan 0.000 0.511 14 T N 1.313 115.873 114.554 0.010 0.000 2.708 14 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 14 T C 2.405 177.105 174.700 0.000 0.000 1.037 14 T CA 1.548 63.648 62.100 0.001 0.000 1.146 14 T CB -0.863 68.006 68.868 0.002 0.000 0.865 14 T HN 0.834 nan 8.240 nan 0.000 0.435 15 A N 1.310 124.133 122.820 0.005 0.000 1.978 15 A HA 0.078 4.398 4.320 -0.000 0.000 0.220 15 A C 2.582 180.168 177.584 0.004 0.000 1.170 15 A CA 1.869 53.908 52.037 0.004 0.000 0.636 15 A CB -1.268 17.736 19.000 0.007 0.000 0.810 15 A HN 0.526 nan 8.150 nan 0.000 0.448 16 G N -0.511 108.293 108.800 0.007 0.000 2.421 16 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.217 16 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.217 16 G C 1.645 176.540 174.900 -0.009 0.000 1.143 16 G CA 0.936 46.039 45.100 0.005 0.000 0.784 16 G HN 0.587 nan 8.290 nan 0.000 0.541 17 K N -0.012 120.378 120.400 -0.016 0.000 2.057 17 K HA 0.129 4.449 4.320 -0.000 0.000 0.206 17 K C 2.412 178.997 176.600 -0.025 0.000 1.050 17 K CA 0.584 56.853 56.287 -0.030 0.000 0.935 17 K CB -0.239 32.241 32.500 -0.033 0.000 0.715 17 K HN 0.250 nan 8.250 nan 0.000 0.439 18 L N 0.500 121.715 121.223 -0.013 0.000 2.056 18 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 18 L C 2.624 179.490 176.870 -0.006 0.000 1.078 18 L CA 1.081 55.916 54.840 -0.007 0.000 0.749 18 L CB -0.701 41.357 42.059 -0.002 0.000 0.901 18 L HN 0.196 nan 8.230 nan 0.000 0.433 19 A N 0.272 123.089 122.820 -0.005 0.000 1.933 19 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 19 A C 1.957 179.536 177.584 -0.008 0.000 1.175 19 A CA 2.073 54.109 52.037 -0.001 0.000 0.628 19 A CB -0.637 18.364 19.000 0.001 0.000 0.814 19 A HN 0.471 nan 8.150 nan 0.000 0.444 20 D N -0.574 119.814 120.400 -0.020 0.000 2.117 20 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 20 D C 1.757 178.022 176.300 -0.059 0.000 0.987 20 D CA 1.387 55.365 54.000 -0.037 0.000 0.829 20 D CB -0.191 40.578 40.800 -0.051 0.000 0.961 20 D HN 0.257 nan 8.370 nan 0.000 0.460 21 L N 0.754 121.944 121.223 -0.054 0.000 2.046 21 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 21 L C 2.211 179.080 176.870 -0.001 0.000 1.077 21 L CA 1.679 56.486 54.840 -0.054 0.000 0.747 21 L CB -0.537 41.519 42.059 -0.005 0.000 0.896 21 L HN -0.036 nan 8.230 nan 0.000 0.432 22 R N -0.804 119.704 120.500 0.014 0.000 2.105 22 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 22 R C 2.474 178.799 176.300 0.043 0.000 1.135 22 R CA 1.615 57.736 56.100 0.034 0.000 0.967 22 R CB -0.457 29.858 30.300 0.025 0.000 0.861 22 R HN 0.432 nan 8.270 nan 0.000 0.442 23 R N 1.169 121.681 120.500 0.021 0.000 2.066 23 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 23 R C 2.109 178.440 176.300 0.053 0.000 1.131 23 R CA 1.421 57.541 56.100 0.034 0.000 0.955 23 R CB -0.014 30.296 30.300 0.016 0.000 0.851 23 R HN 0.151 nan 8.270 nan 0.000 0.432 24 R N 0.378 120.867 120.500 -0.019 0.000 2.081 24 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 24 R C 2.435 178.794 176.300 0.098 0.000 1.131 24 R CA 1.652 57.692 56.100 -0.101 0.000 0.960 24 R CB -0.548 29.373 30.300 -0.632 0.000 0.856 24 R HN 0.329 nan 8.270 nan 0.000 0.436 25 I N 1.039 121.733 120.570 0.207 0.000 2.361 25 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 25 I C 2.115 178.337 176.117 0.175 0.000 1.133 25 I CA 1.496 62.954 61.300 0.263 0.000 1.413 25 I CB 0.065 38.164 38.000 0.165 0.000 1.073 25 I HN 0.134 nan 8.210 nan 0.000 0.424 26 E N 1.264 121.567 120.200 0.172 0.000 2.072 26 E HA -0.228 4.122 4.350 -0.000 0.000 0.190 26 E C 1.983 178.760 176.600 0.295 0.000 0.982 26 E CA 1.589 58.122 56.400 0.223 0.000 0.803 26 E CB -0.073 29.722 29.700 0.158 0.000 0.755 26 E HN 0.556 nan 8.360 nan 0.000 0.453 27 E N -0.141 120.210 120.200 0.252 0.000 2.106 27 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 27 E C 2.005 178.809 176.600 0.339 0.000 0.984 27 E CA 0.826 57.396 56.400 0.283 0.000 0.806 27 E CB -0.148 29.735 29.700 0.304 0.000 0.750 27 E HN 0.344 nan 8.360 nan 0.000 0.458 28 A N 1.458 124.499 122.820 0.368 0.000 1.873 28 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 28 A C 2.459 180.116 177.584 0.122 0.000 1.186 28 A CA 1.944 54.170 52.037 0.314 0.000 0.616 28 A CB -1.027 18.107 19.000 0.222 0.000 0.823 28 A HN 0.366 nan 8.150 nan 0.000 0.442 29 T N -3.624 110.949 114.554 0.031 0.000 3.113 29 T HA -0.048 4.302 4.350 -0.000 0.000 0.263 29 T C 0.739 175.216 174.700 -0.371 0.000 1.143 29 T CA 1.213 63.212 62.100 -0.168 0.000 1.090 29 T CB -0.397 68.329 68.868 -0.238 0.000 0.922 29 T HN 0.577 nan 8.240 nan 0.000 0.521 30 H N -0.224 118.888 119.070 0.070 0.000 2.587 30 H HA 0.647 5.203 4.556 -0.000 0.000 0.245 30 H C 1.638 176.991 175.328 0.041 0.000 1.238 30 H CA -0.087 55.988 56.048 0.046 0.000 0.963 30 H CB 0.333 30.120 29.762 0.042 0.000 1.904 30 H HN 0.392 nan 8.280 nan 0.000 0.584 31 A N 0.987 123.868 122.820 0.102 0.000 1.892 31 A HA -0.056 4.263 4.320 -0.000 0.000 0.218 31 A C 1.792 179.382 177.584 0.010 0.000 1.188 31 A CA 1.320 53.396 52.037 0.065 0.000 0.631 31 A CB -0.721 18.311 19.000 0.054 0.000 0.822 31 A HN 0.431 nan 8.150 nan 0.000 0.447 32 G N -0.097 108.705 108.800 0.004 0.000 2.483 32 G HA2 0.404 4.364 3.960 -0.000 0.000 0.248 32 G HA3 0.404 4.364 3.960 -0.000 0.000 0.248 32 G C 0.361 175.257 174.900 -0.007 0.000 1.248 32 G CA 0.397 45.481 45.100 -0.027 0.000 0.838 32 G HN 0.903 nan 8.290 nan 0.000 0.566 33 S N 0.718 116.399 115.700 -0.032 0.000 2.576 33 S HA 0.399 4.869 4.470 -0.000 0.000 0.276 33 S C 1.695 176.290 174.600 -0.007 0.000 1.339 33 S CA 0.181 58.369 58.200 -0.020 0.000 1.039 33 S CB 1.518 64.698 63.200 -0.034 0.000 0.902 33 S HN 1.301 nan 8.310 nan 0.000 0.516 34 A N 2.710 125.531 122.820 0.001 0.000 1.948 34 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 34 A C 2.305 179.890 177.584 0.001 0.000 1.177 34 A CA 1.783 53.824 52.037 0.006 0.000 0.636 34 A CB -0.801 18.201 19.000 0.004 0.000 0.815 34 A HN 0.955 nan 8.150 nan 0.000 0.449 35 R N -0.718 119.781 120.500 -0.001 0.000 2.115 35 R HA -0.020 4.320 4.340 -0.000 0.000 0.230 35 R C 2.311 178.612 176.300 0.002 0.000 1.111 35 R CA 1.177 57.279 56.100 0.004 0.000 0.976 35 R CB -0.338 29.964 30.300 0.003 0.000 0.870 35 R HN 0.472 nan 8.270 nan 0.000 0.445 36 A N 0.171 122.986 122.820 -0.009 0.000 1.877 36 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 36 A C 2.180 179.755 177.584 -0.014 0.000 1.186 36 A CA 1.518 53.553 52.037 -0.004 0.000 0.620 36 A CB -0.499 18.486 19.000 -0.026 0.000 0.822 36 A HN 0.203 nan 8.150 nan 0.000 0.443 37 V N 0.055 119.936 119.914 -0.055 0.000 2.407 37 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 37 V C 2.467 178.436 176.094 -0.209 0.000 1.055 37 V CA 2.249 64.447 62.300 -0.169 0.000 1.049 37 V CB -0.763 30.966 31.823 -0.157 0.000 0.662 37 V HN 0.752 nan 8.190 nan 0.000 0.455 38 E N 0.381 120.548 120.200 -0.056 0.000 2.051 38 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 38 E C 2.294 178.919 176.600 0.041 0.000 0.991 38 E CA 1.343 57.758 56.400 0.026 0.000 0.799 38 E CB -0.030 29.694 29.700 0.039 0.000 0.748 38 E HN 0.572 nan 8.360 nan 0.000 0.449 39 K N 0.128 120.547 120.400 0.031 0.000 2.057 39 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 39 K C 2.328 178.963 176.600 0.059 0.000 1.049 39 K CA 1.585 57.905 56.287 0.055 0.000 0.931 39 K CB -0.146 32.397 32.500 0.072 0.000 0.714 39 K HN 0.041 nan 8.250 nan 0.000 0.440 40 Q N 0.643 120.465 119.800 0.037 0.000 2.030 40 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 40 Q C 1.685 177.724 176.000 0.066 0.000 0.986 40 Q CA 1.834 57.651 55.803 0.023 0.000 0.843 40 Q CB -0.218 28.504 28.738 -0.026 0.000 0.904 40 Q HN 0.511 nan 8.270 nan 0.000 0.420 41 H N -1.115 117.973 119.070 0.030 0.000 2.387 41 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 41 H C 1.787 177.122 175.328 0.011 0.000 1.090 41 H CA 0.534 56.593 56.048 0.017 0.000 1.332 41 H CB 0.049 29.823 29.762 0.021 0.000 1.386 41 H HN 0.460 nan 8.280 nan 0.000 0.516 42 A N 1.247 124.153 122.820 0.143 0.000 1.972 42 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 42 A C 1.920 179.536 177.584 0.053 0.000 1.169 42 A CA 1.350 53.434 52.037 0.080 0.000 0.635 42 A CB -0.168 18.870 19.000 0.062 0.000 0.810 42 A HN 0.334 nan 8.150 nan 0.000 0.446 43 K N -1.220 119.208 120.400 0.047 0.000 2.487 43 K HA 0.234 4.554 4.320 -0.000 0.000 0.192 43 K C 1.037 177.647 176.600 0.017 0.000 1.027 43 K CA 0.449 56.747 56.287 0.018 0.000 1.054 43 K CB -0.092 32.401 32.500 -0.013 0.000 0.824 43 K HN 0.636 nan 8.250 nan 0.000 0.510 44 G N 1.843 110.665 108.800 0.037 0.000 2.159 44 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.256 44 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.256 44 G C -0.309 174.610 174.900 0.031 0.000 0.977 44 G CA 0.091 45.206 45.100 0.026 0.000 0.652 44 G HN 0.283 nan 8.290 nan 0.000 0.531 45 K N -0.414 120.015 120.400 0.048 0.000 2.110 45 K HA 0.700 5.020 4.320 -0.000 0.000 0.263 45 K C 0.071 176.752 176.600 0.135 0.000 0.975 45 K CA -0.978 55.334 56.287 0.042 0.000 0.895 45 K CB 1.441 33.928 32.500 -0.022 0.000 1.060 45 K HN 0.020 nan 8.250 nan 0.000 0.448 46 L N 1.033 122.318 121.223 0.103 0.000 2.431 46 L HA 0.294 4.634 4.340 -0.000 0.000 0.260 46 L C 0.741 177.672 176.870 0.102 0.000 1.098 46 L CA -0.092 54.842 54.840 0.156 0.000 0.800 46 L CB 1.141 43.246 42.059 0.076 0.000 1.210 46 L HN 0.820 nan 8.230 nan 0.000 0.465 47 T N -2.016 112.600 114.554 0.104 0.000 2.849 47 T HA 0.477 4.827 4.350 -0.000 0.000 0.284 47 T C 1.192 175.902 174.700 0.015 0.000 1.004 47 T CA -0.133 61.985 62.100 0.030 0.000 1.021 47 T CB 0.929 69.799 68.868 0.003 0.000 1.013 47 T HN 0.624 nan 8.240 nan 0.000 0.527 48 A N 1.527 124.352 122.820 0.010 0.000 1.892 48 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 48 A C 2.539 180.083 177.584 -0.067 0.000 1.188 48 A CA 1.583 53.613 52.037 -0.012 0.000 0.631 48 A CB -0.781 18.223 19.000 0.006 0.000 0.822 48 A HN 0.917 nan 8.150 nan 0.000 0.447 49 R N -0.608 119.849 120.500 -0.070 0.000 2.148 49 R HA -0.055 4.285 4.340 -0.000 0.000 0.223 49 R C 1.997 178.229 176.300 -0.115 0.000 1.088 49 R CA 1.281 57.309 56.100 -0.119 0.000 0.985 49 R CB -0.203 30.041 30.300 -0.093 0.000 0.880 49 R HN 0.691 nan 8.270 nan 0.000 0.451 50 E N 0.261 120.430 120.200 -0.052 0.000 2.152 50 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 50 E C 1.962 178.527 176.600 -0.059 0.000 0.983 50 E CA 0.722 57.102 56.400 -0.033 0.000 0.818 50 E CB 0.091 29.811 29.700 0.033 0.000 0.758 50 E HN 0.251 nan 8.360 nan 0.000 0.467 51 R N 0.464 120.925 120.500 -0.065 0.000 2.092 51 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 51 R C 2.322 178.545 176.300 -0.129 0.000 1.119 51 R CA 0.952 57.007 56.100 -0.076 0.000 0.970 51 R CB -0.162 30.102 30.300 -0.061 0.000 0.864 51 R HN 0.172 nan 8.270 nan 0.000 0.440 52 I N 0.869 121.317 120.570 -0.204 0.000 2.252 52 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 52 I C 1.497 177.446 176.117 -0.280 0.000 1.102 52 I CA 1.180 62.288 61.300 -0.321 0.000 1.385 52 I CB -0.297 37.342 38.000 -0.602 0.000 1.064 52 I HN 0.144 nan 8.210 nan 0.000 0.414 53 D N 0.757 121.023 120.400 -0.224 0.000 2.149 53 D HA -0.158 4.482 4.640 -0.000 0.000 0.198 53 D C 2.156 178.399 176.300 -0.096 0.000 0.990 53 D CA 1.289 55.203 54.000 -0.145 0.000 0.839 53 D CB -0.100 40.642 40.800 -0.096 0.000 0.948 53 D HN 0.190 nan 8.370 nan 0.000 0.460 54 L N 0.373 121.545 121.223 -0.085 0.000 2.056 54 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 54 L C 2.323 179.158 176.870 -0.059 0.000 1.078 54 L CA 0.877 55.683 54.840 -0.058 0.000 0.749 54 L CB -0.799 41.234 42.059 -0.044 0.000 0.901 54 L HN 0.058 nan 8.230 nan 0.000 0.433 55 L N -1.119 120.058 121.223 -0.078 0.000 2.005 55 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 55 L C 0.960 177.792 176.870 -0.062 0.000 1.072 55 L CA 1.410 56.208 54.840 -0.070 0.000 0.744 55 L CB -0.232 41.775 42.059 -0.087 0.000 0.895 55 L HN -0.035 nan 8.230 nan 0.000 0.433 56 L N 0.573 121.750 121.223 -0.076 0.000 2.439 56 L HA 0.183 4.523 4.340 -0.000 0.000 0.261 56 L C -0.142 176.715 176.870 -0.023 0.000 1.153 56 L CA -0.863 53.954 54.840 -0.039 0.000 0.808 56 L CB 0.146 42.185 42.059 -0.034 0.000 1.126 56 L HN 0.111 nan 8.230 nan 0.000 0.460 57 D N 1.293 121.693 120.400 -0.001 0.000 2.414 57 D HA 0.001 4.641 4.640 -0.000 0.000 0.242 57 D C 0.127 176.432 176.300 0.008 0.000 1.129 57 D CA 0.001 54.001 54.000 0.000 0.000 0.885 57 D CB 0.775 41.580 40.800 0.009 0.000 1.198 57 D HN 0.458 nan 8.370 nan 0.000 0.437 58 E N 0.167 120.367 120.200 0.001 0.000 2.608 58 E HA 0.088 4.438 4.350 -0.000 0.000 0.259 58 E C 1.092 177.701 176.600 0.016 0.000 0.951 58 E CA 0.646 57.049 56.400 0.005 0.000 0.945 58 E CB 0.081 29.781 29.700 -0.001 0.000 0.916 58 E HN 0.655 nan 8.360 nan 0.000 0.477 59 G N 2.936 111.751 108.800 0.025 0.000 2.189 59 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.267 59 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.267 59 G C 0.890 175.805 174.900 0.025 0.000 0.975 59 G CA 0.977 46.090 45.100 0.023 0.000 0.644 59 G HN 0.818 nan 8.290 nan 0.000 0.537 60 S N -0.994 114.733 115.700 0.045 0.000 2.501 60 S HA 0.403 4.873 4.470 -0.000 0.000 0.220 60 S C 0.895 175.521 174.600 0.044 0.000 0.997 60 S CA 0.352 58.581 58.200 0.049 0.000 0.919 60 S CB 0.103 63.343 63.200 0.067 0.000 0.778 60 S HN 0.990 nan 8.310 nan 0.000 0.523 61 F N 3.178 123.055 119.950 -0.121 0.000 2.538 61 F HA 0.481 5.008 4.527 -0.000 0.000 0.371 61 F C -0.525 175.102 175.800 -0.288 0.000 1.087 61 F CA -1.012 56.871 58.000 -0.195 0.000 1.250 61 F CB 0.797 39.707 39.000 -0.150 0.000 1.110 61 F HN -0.077 nan 8.300 nan 0.000 0.570 62 V N 6.832 126.078 119.914 -1.113 0.000 2.380 62 V HA 0.193 4.313 4.120 -0.000 0.000 0.286 62 V C -0.232 175.004 176.094 -1.429 0.000 1.015 62 V CA -0.986 60.606 62.300 -1.181 0.000 0.834 62 V CB 1.286 32.355 31.823 -1.257 0.000 1.009 62 V HN 0.745 nan 8.190 nan 0.000 0.428 63 E N 4.386 123.790 120.200 -1.326 0.000 2.313 63 E HA 0.540 4.890 4.350 -0.000 0.000 0.276 63 E C -1.175 175.123 176.600 -0.503 0.000 1.031 63 E CA -0.387 55.468 56.400 -0.909 0.000 0.857 63 E CB 1.014 30.343 29.700 -0.618 0.000 1.040 63 E HN 0.566 nan 8.360 nan 0.000 0.408 64 L N 3.411 124.442 121.223 -0.320 0.000 2.334 64 L HA 0.282 4.622 4.340 -0.000 0.000 0.273 64 L C -0.275 176.498 176.870 -0.161 0.000 1.013 64 L CA -0.869 53.846 54.840 -0.209 0.000 0.816 64 L CB 1.539 43.515 42.059 -0.139 0.000 1.278 64 L HN 0.674 nan 8.230 nan 0.000 0.431 65 D N 1.121 121.438 120.400 -0.138 0.000 2.708 65 D HA -0.224 4.416 4.640 -0.000 0.000 0.236 65 D C 1.030 177.245 176.300 -0.141 0.000 1.146 65 D CA 1.172 55.114 54.000 -0.097 0.000 0.662 65 D CB -0.510 40.266 40.800 -0.041 0.000 1.059 65 D HN 0.763 nan 8.370 nan 0.000 0.428 66 E N -1.029 118.983 120.200 -0.313 0.000 2.153 66 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 66 E C 1.035 177.414 176.600 -0.368 0.000 0.988 66 E CA 0.830 56.964 56.400 -0.443 0.000 0.811 66 E CB 0.090 29.316 29.700 -0.791 0.000 0.746 66 E HN 0.261 nan 8.360 nan 0.000 0.466 67 F N 0.246 120.134 119.950 -0.103 0.000 2.684 67 F HA 0.394 4.921 4.527 -0.000 0.000 0.298 67 F C 0.453 176.330 175.800 0.129 0.000 1.120 67 F CA -0.563 57.376 58.000 -0.102 0.000 1.332 67 F CB -0.193 38.635 39.000 -0.286 0.000 0.986 67 F HN -0.086 nan 8.300 nan 0.000 0.524 68 A N 1.329 124.285 122.820 0.227 0.000 2.445 68 A HA 0.665 4.985 4.320 -0.000 0.000 0.242 68 A C 0.543 178.259 177.584 0.219 0.000 1.075 68 A CA -0.159 51.985 52.037 0.178 0.000 0.777 68 A CB 0.450 19.509 19.000 0.098 0.000 1.013 68 A HN 0.389 nan 8.150 nan 0.000 0.493 69 R N 0.862 121.456 120.500 0.156 0.000 2.668 69 R HA 0.293 4.633 4.340 -0.000 0.000 0.272 69 R C -0.680 175.665 176.300 0.074 0.000 1.019 69 R CA -0.788 55.375 56.100 0.104 0.000 0.894 69 R CB 1.499 31.815 30.300 0.026 0.000 1.228 69 R HN 1.053 nan 8.270 nan 0.000 0.460 70 H N 1.201 120.326 119.070 0.091 0.000 2.679 70 H HA 0.216 4.772 4.556 -0.000 0.000 0.369 70 H C -0.420 174.926 175.328 0.030 0.000 1.178 70 H CA -0.094 55.985 56.048 0.052 0.000 1.419 70 H CB 1.310 31.091 29.762 0.032 0.000 1.458 70 H HN 0.520 nan 8.280 nan 0.000 0.605 71 R N 1.674 122.268 120.500 0.157 0.000 2.700 71 R HA 0.148 4.488 4.340 -0.000 0.000 0.377 71 R C -0.058 176.324 176.300 0.137 0.000 1.130 71 R CA -0.274 55.870 56.100 0.074 0.000 1.055 71 R CB 0.598 30.923 30.300 0.041 0.000 1.387 71 R HN 0.477 nan 8.270 nan 0.000 0.580 72 S N 0.424 116.334 115.700 0.349 0.000 2.578 72 S HA 0.220 4.690 4.470 -0.000 0.000 0.283 72 S C 1.013 175.707 174.600 0.158 0.000 1.195 72 S CA -0.371 57.938 58.200 0.181 0.000 1.050 72 S CB 1.228 64.448 63.200 0.033 0.000 1.012 72 S HN 0.361 nan 8.310 nan 0.000 0.511 73 T N 0.420 115.005 114.554 0.051 0.000 3.170 73 T HA 0.322 4.672 4.350 -0.000 0.000 0.288 73 T C -0.078 174.603 174.700 -0.031 0.000 0.992 73 T CA -0.482 61.633 62.100 0.025 0.000 0.909 73 T CB -0.858 68.008 68.868 -0.003 0.000 1.133 73 T HN 0.599 nan 8.240 nan 0.000 0.530 74 N N 1.788 120.460 118.700 -0.047 0.000 2.497 74 N HA 0.379 5.119 4.740 -0.000 0.000 0.271 74 N C -0.911 174.591 175.510 -0.014 0.000 1.142 74 N CA -0.716 52.253 53.050 -0.136 0.000 0.965 74 N CB -0.004 38.441 38.487 -0.070 0.000 1.077 74 N HN 0.125 nan 8.380 nan 0.000 0.462 75 F N 1.218 121.151 119.950 -0.027 0.000 2.943 75 F HA -0.212 4.315 4.527 -0.000 0.000 0.258 75 F C 1.550 177.343 175.800 -0.011 0.000 0.995 75 F CA 0.748 58.735 58.000 -0.023 0.000 0.896 75 F CB -2.188 36.789 39.000 -0.037 0.000 0.821 75 F HN 0.851 nan 8.300 nan 0.000 0.828 76 G N -0.080 108.776 108.800 0.093 0.000 2.296 76 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.282 76 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.282 76 G C 1.161 176.128 174.900 0.112 0.000 1.014 76 G CA 0.429 45.582 45.100 0.088 0.000 0.812 76 G HN 0.658 nan 8.290 nan 0.000 0.508 77 L N 0.399 121.685 121.223 0.104 0.000 2.141 77 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 77 L C 2.739 179.773 176.870 0.273 0.000 1.094 77 L CA 2.084 56.976 54.840 0.086 0.000 0.763 77 L CB -0.235 41.754 42.059 -0.116 0.000 0.908 77 L HN 0.574 nan 8.230 nan 0.000 0.437 78 D N -0.183 120.376 120.400 0.265 0.000 2.403 78 D HA -0.176 4.464 4.640 -0.000 0.000 0.227 78 D C 1.694 178.069 176.300 0.125 0.000 0.995 78 D CA 0.936 55.067 54.000 0.218 0.000 0.928 78 D CB 0.088 40.945 40.800 0.095 0.000 0.887 78 D HN 0.344 nan 8.370 nan 0.000 0.529 79 A N 0.297 123.201 122.820 0.139 0.000 2.015 79 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 79 A C 0.836 178.479 177.584 0.099 0.000 1.163 79 A CA 0.575 52.669 52.037 0.095 0.000 0.646 79 A CB -0.078 18.977 19.000 0.091 0.000 0.806 79 A HN 0.183 nan 8.150 nan 0.000 0.448 80 N N 0.041 118.855 118.700 0.192 0.000 2.519 80 N HA 0.308 5.048 4.740 -0.000 0.000 0.286 80 N C -1.297 174.394 175.510 0.303 0.000 1.079 80 N CA -0.267 52.887 53.050 0.174 0.000 0.878 80 N CB 1.451 40.025 38.487 0.145 0.000 1.375 80 N HN 0.251 nan 8.380 nan 0.000 0.514 81 R N 1.926 122.466 120.500 0.066 0.000 2.587 81 R HA 0.290 4.630 4.340 -0.000 0.000 0.283 81 R C -2.378 173.880 176.300 -0.070 0.000 1.472 81 R CA -1.288 54.799 56.100 -0.021 0.000 1.578 81 R CB 1.263 31.393 30.300 -0.284 0.000 1.130 81 R HN 0.348 nan 8.270 nan 0.000 0.602 82 P HA -0.059 nan 4.420 nan 0.000 0.271 82 P C -0.465 176.853 177.300 0.031 0.000 1.216 82 P CA 0.059 63.119 63.100 -0.066 0.000 0.771 82 P CB 0.621 32.276 31.700 -0.075 0.000 0.864 83 Y N 0.927 121.282 120.300 0.092 0.000 2.702 83 Y HA 0.167 4.717 4.550 -0.000 0.000 0.336 83 Y C 2.136 178.092 175.900 0.094 0.000 1.235 83 Y CA 1.202 59.383 58.100 0.135 0.000 1.492 83 Y CB 0.033 38.628 38.460 0.225 0.000 1.308 83 Y HN 0.800 nan 8.280 nan 0.000 0.589 84 G N 1.760 110.716 108.800 0.260 0.000 2.299 84 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.237 84 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.237 84 G C 0.380 175.337 174.900 0.094 0.000 1.027 84 G CA 0.371 45.539 45.100 0.115 0.000 0.619 84 G HN 0.866 nan 8.290 nan 0.000 0.513 85 D N -1.073 119.427 120.400 0.167 0.000 2.708 85 D HA 0.208 4.848 4.640 -0.000 0.000 0.236 85 D C 1.795 178.238 176.300 0.238 0.000 1.146 85 D CA 3.093 57.240 54.000 0.244 0.000 0.662 85 D CB -1.281 39.668 40.800 0.248 0.000 1.059 85 D HN 2.233 nan 8.370 nan 0.000 0.428 86 G N -2.151 106.740 108.800 0.151 0.000 2.157 86 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.248 86 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.248 86 G C 0.241 175.035 174.900 -0.176 0.000 0.979 86 G CA 0.371 45.552 45.100 0.135 0.000 0.650 86 G HN 1.385 nan 8.290 nan 0.000 0.529 87 V N -0.018 119.713 119.914 -0.305 0.000 2.817 87 V HA 0.620 4.740 4.120 -0.000 0.000 0.303 87 V C -0.544 175.466 176.094 -0.141 0.000 1.151 87 V CA -0.509 61.577 62.300 -0.356 0.000 0.929 87 V CB 2.251 33.579 31.823 -0.825 0.000 1.030 87 V HN 0.654 nan 8.190 nan 0.000 0.427 88 V N 6.117 126.006 119.914 -0.042 0.000 2.407 88 V HA 0.730 4.850 4.120 -0.000 0.000 0.278 88 V C 0.450 176.595 176.094 0.086 0.000 1.037 88 V CA 0.228 62.541 62.300 0.021 0.000 0.900 88 V CB 1.442 33.273 31.823 0.014 0.000 0.983 88 V HN 1.067 nan 8.190 nan 0.000 0.459 89 T N 1.371 115.993 114.554 0.113 0.000 2.906 89 T HA 0.978 5.328 4.350 -0.000 0.000 0.295 89 T C -0.078 174.717 174.700 0.158 0.000 1.075 89 T CA -0.113 62.077 62.100 0.149 0.000 1.005 89 T CB 2.318 71.231 68.868 0.075 0.000 1.136 89 T HN 1.319 nan 8.240 nan 0.000 0.498 90 G N 0.250 109.146 108.800 0.160 0.000 2.336 90 G HA2 0.488 4.448 3.960 -0.000 0.000 0.286 90 G HA3 0.488 4.448 3.960 -0.000 0.000 0.286 90 G C -2.085 172.845 174.900 0.050 0.000 1.269 90 G CA -0.329 44.754 45.100 -0.029 0.000 0.873 90 G HN 1.463 nan 8.290 nan 0.000 0.494 91 Y N -1.605 118.633 120.300 -0.102 0.000 2.615 91 Y HA 0.926 5.476 4.550 -0.000 0.000 0.341 91 Y C 0.349 176.288 175.900 0.065 0.000 1.089 91 Y CA -0.536 57.533 58.100 -0.052 0.000 1.049 91 Y CB 1.470 39.751 38.460 -0.300 0.000 1.296 91 Y HN 1.765 nan 8.280 nan 0.000 0.470 92 G N -0.060 108.934 108.800 0.323 0.000 2.510 92 G HA2 0.519 4.479 3.960 -0.000 0.000 0.277 92 G HA3 0.519 4.479 3.960 -0.000 0.000 0.277 92 G C -1.459 173.565 174.900 0.206 0.000 1.223 92 G CA -0.376 44.859 45.100 0.226 0.000 0.887 92 G HN 1.238 nan 8.290 nan 0.000 0.485 93 T N -2.425 112.204 114.554 0.126 0.000 2.900 93 T HA 0.683 5.033 4.350 -0.000 0.000 0.295 93 T C -1.281 173.445 174.700 0.043 0.000 1.044 93 T CA -0.714 61.438 62.100 0.086 0.000 0.995 93 T CB 1.992 70.903 68.868 0.072 0.000 1.072 93 T HN 0.935 nan 8.240 nan 0.000 0.473 94 V N 3.043 122.970 119.914 0.021 0.000 2.376 94 V HA 0.377 4.497 4.120 -0.000 0.000 0.287 94 V C -0.353 175.728 176.094 -0.021 0.000 1.015 94 V CA -0.540 61.754 62.300 -0.010 0.000 0.834 94 V CB 0.833 32.641 31.823 -0.026 0.000 1.001 94 V HN 1.146 nan 8.190 nan 0.000 0.428 95 D N 4.369 124.755 120.400 -0.023 0.000 2.800 95 D HA -0.189 4.451 4.640 -0.000 0.000 0.232 95 D C 1.309 177.609 176.300 -0.000 0.000 1.137 95 D CA 1.582 55.568 54.000 -0.022 0.000 0.718 95 D CB -1.006 39.769 40.800 -0.042 0.000 1.084 95 D HN 1.382 nan 8.370 nan 0.000 0.432 96 G N -0.304 108.501 108.800 0.008 0.000 2.162 96 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.260 96 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.260 96 G C 0.305 175.218 174.900 0.021 0.000 0.976 96 G CA 0.653 45.764 45.100 0.020 0.000 0.655 96 G HN 0.523 nan 8.290 nan 0.000 0.533 97 R N 0.962 121.470 120.500 0.014 0.000 2.589 97 R HA 0.504 4.844 4.340 -0.000 0.000 0.293 97 R C -2.472 173.848 176.300 0.034 0.000 0.963 97 R CA -2.023 54.082 56.100 0.010 0.000 0.905 97 R CB 1.897 32.185 30.300 -0.020 0.000 1.144 97 R HN 0.109 nan 8.270 nan 0.000 0.459 98 P HA 0.018 nan 4.420 nan 0.000 0.267 98 P C -0.721 176.638 177.300 0.099 0.000 1.205 98 P CA 0.107 63.262 63.100 0.092 0.000 0.765 98 P CB 0.921 32.662 31.700 0.069 0.000 0.828 99 V N 2.409 122.416 119.914 0.154 0.000 2.851 99 V HA 0.579 4.699 4.120 -0.000 0.000 0.307 99 V C -0.096 176.130 176.094 0.219 0.000 1.129 99 V CA -0.926 61.460 62.300 0.143 0.000 0.932 99 V CB 2.116 33.987 31.823 0.079 0.000 1.024 99 V HN 0.737 nan 8.190 nan 0.000 0.426 100 A N 3.072 126.026 122.820 0.224 0.000 2.312 100 A HA 0.952 5.272 4.320 -0.000 0.000 0.326 100 A C -0.801 176.888 177.584 0.175 0.000 1.172 100 A CA -0.612 51.580 52.037 0.257 0.000 0.821 100 A CB 1.732 20.934 19.000 0.337 0.000 1.166 100 A HN 1.273 nan 8.150 nan 0.000 0.493 101 V N 2.610 122.624 119.914 0.167 0.000 3.087 101 V HA 0.841 4.961 4.120 -0.000 0.000 0.306 101 V C -1.843 174.345 176.094 0.157 0.000 1.187 101 V CA -0.804 61.544 62.300 0.080 0.000 0.999 101 V CB 2.051 33.865 31.823 -0.014 0.000 1.049 101 V HN 1.296 nan 8.190 nan 0.000 0.431 102 F N 2.697 122.668 119.950 0.035 0.000 2.578 102 F HA 0.887 5.414 4.527 0.000 0.000 0.311 102 F C -0.607 175.188 175.800 -0.009 0.000 1.094 102 F CA -0.713 57.293 58.000 0.010 0.000 0.923 102 F CB 2.088 41.098 39.000 0.017 0.000 1.230 102 F HN 0.447 nan 8.300 nan 0.000 0.450 103 S N 2.443 118.231 115.700 0.147 0.000 2.789 103 S HA 0.313 4.783 4.470 -0.000 0.000 0.286 103 S C -1.100 173.567 174.600 0.112 0.000 1.153 103 S CA -0.582 57.647 58.200 0.048 0.000 1.084 103 S CB 0.770 63.937 63.200 -0.055 0.000 1.036 103 S HN 0.775 nan 8.310 nan 0.000 0.484 104 Q N 2.480 122.400 119.800 0.201 0.000 2.311 104 Q HA 0.130 4.470 4.340 -0.000 0.000 0.272 104 Q C -0.653 175.447 176.000 0.166 0.000 1.012 104 Q CA 0.022 55.943 55.803 0.197 0.000 0.891 104 Q CB 0.537 29.499 28.738 0.374 0.000 1.201 104 Q HN 0.489 nan 8.270 nan 0.000 0.391 105 D N 2.320 122.801 120.400 0.134 0.000 2.456 105 D HA 0.035 4.675 4.640 -0.000 0.000 0.219 105 D C -0.164 176.252 176.300 0.193 0.000 1.126 105 D CA -0.373 53.706 54.000 0.132 0.000 0.890 105 D CB 0.259 41.095 40.800 0.059 0.000 1.025 105 D HN 0.487 nan 8.370 nan 0.000 0.511 106 F N 2.566 122.562 119.950 0.077 0.000 2.269 106 F HA -0.187 4.340 4.527 0.000 0.000 0.301 106 F C 2.345 178.173 175.800 0.045 0.000 1.082 106 F CA 1.771 59.815 58.000 0.075 0.000 1.360 106 F CB -0.042 38.989 39.000 0.052 0.000 1.041 106 F HN 0.394 nan 8.300 nan 0.000 0.512 107 T N -2.361 112.233 114.554 0.066 0.000 3.072 107 T HA 0.037 4.387 4.350 -0.000 0.000 0.266 107 T C 0.601 175.226 174.700 -0.126 0.000 1.127 107 T CA 0.549 62.626 62.100 -0.038 0.000 1.107 107 T CB -0.849 68.018 68.868 -0.001 0.000 0.910 107 T HN -0.081 nan 8.240 nan 0.000 0.513 108 V N 2.555 122.406 119.914 -0.105 0.000 2.334 108 V HA 0.423 4.543 4.120 -0.000 0.000 0.281 108 V C -0.224 175.826 176.094 -0.074 0.000 1.016 108 V CA -0.957 61.240 62.300 -0.172 0.000 0.832 108 V CB -0.254 31.525 31.823 -0.072 0.000 0.999 108 V HN 0.452 nan 8.190 nan 0.000 0.439 109 F N 3.323 123.225 119.950 -0.082 0.000 3.093 109 F HA -0.237 4.290 4.527 -0.000 0.000 0.287 109 F C 1.694 177.379 175.800 -0.191 0.000 0.882 109 F CA 1.248 59.185 58.000 -0.105 0.000 1.063 109 F CB -1.738 37.226 39.000 -0.060 0.000 1.097 109 F HN 0.909 nan 8.300 nan 0.000 0.604 110 G N -1.025 107.635 108.800 -0.233 0.000 2.203 110 G HA2 0.116 4.076 3.960 -0.000 0.000 0.263 110 G HA3 0.116 4.076 3.960 -0.000 0.000 0.263 110 G C 1.664 176.320 174.900 -0.407 0.000 1.012 110 G CA 1.145 45.867 45.100 -0.629 0.000 0.749 110 G HN 2.192 nan 8.290 nan 0.000 0.512 111 G N -1.483 107.272 108.800 -0.075 0.000 2.168 111 G HA2 0.132 4.091 3.960 -0.000 0.000 0.263 111 G HA3 0.132 4.091 3.960 -0.000 0.000 0.263 111 G C 0.889 175.876 174.900 0.145 0.000 0.977 111 G CA 1.178 46.396 45.100 0.196 0.000 0.659 111 G HN 2.359 nan 8.290 nan 0.000 0.533 112 A N 0.807 123.640 122.820 0.022 0.000 2.548 112 A HA 0.472 4.792 4.320 -0.000 0.000 0.247 112 A C 0.978 178.298 177.584 -0.440 0.000 1.067 112 A CA 0.258 52.218 52.037 -0.128 0.000 0.757 112 A CB 0.312 19.249 19.000 -0.105 0.000 0.996 112 A HN 1.482 nan 8.150 nan 0.000 0.504 113 L N 4.160 124.982 121.223 -0.668 0.000 2.418 113 L HA 0.495 4.835 4.340 -0.000 0.000 0.274 113 L C 0.467 176.895 176.870 -0.735 0.000 1.135 113 L CA 1.017 55.137 54.840 -1.201 0.000 0.870 113 L CB -0.081 41.394 42.059 -0.974 0.000 1.154 113 L HN 0.761 nan 8.230 nan 0.000 0.462 114 G N 3.707 112.149 108.800 -0.596 0.000 2.932 114 G HA2 0.266 4.226 3.960 -0.000 0.000 0.283 114 G HA3 0.266 4.226 3.960 -0.000 0.000 0.283 114 G C 0.283 175.074 174.900 -0.181 0.000 1.336 114 G CA -0.051 44.872 45.100 -0.294 0.000 1.056 114 G HN 0.787 nan 8.290 nan 0.000 0.522 115 E N -1.184 118.947 120.200 -0.115 0.000 2.012 115 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 115 E C 2.522 179.116 176.600 -0.009 0.000 1.007 115 E CA 1.706 58.064 56.400 -0.071 0.000 0.816 115 E CB -0.173 29.503 29.700 -0.041 0.000 0.762 115 E HN 0.168 nan 8.360 nan 0.000 0.451 116 V N 0.678 120.621 119.914 0.048 0.000 2.343 116 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 116 V C 2.183 178.337 176.094 0.100 0.000 1.051 116 V CA 2.037 64.382 62.300 0.075 0.000 1.036 116 V CB -0.816 31.076 31.823 0.114 0.000 0.654 116 V HN 0.413 nan 8.190 nan 0.000 0.451 117 Y N 2.057 122.334 120.300 -0.038 0.000 2.053 117 Y HA -0.252 4.298 4.550 -0.000 0.000 0.277 117 Y C 2.390 178.213 175.900 -0.127 0.000 1.159 117 Y CA 1.900 59.965 58.100 -0.058 0.000 1.125 117 Y CB -1.042 37.376 38.460 -0.071 0.000 0.969 117 Y HN 0.198 nan 8.280 nan 0.000 0.492 118 G N -0.888 107.996 108.800 0.139 0.000 2.422 118 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 118 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 118 G C 1.470 176.333 174.900 -0.061 0.000 1.146 118 G CA 0.846 45.924 45.100 -0.036 0.000 0.769 118 G HN 0.528 nan 8.290 nan 0.000 0.547 119 Q N -0.001 119.778 119.800 -0.034 0.000 2.170 119 Q HA -0.049 4.291 4.340 -0.000 0.000 0.203 119 Q C 2.547 178.530 176.000 -0.028 0.000 0.976 119 Q CA 1.094 56.880 55.803 -0.029 0.000 0.858 119 Q CB -0.079 28.654 28.738 -0.009 0.000 0.907 119 Q HN 0.438 nan 8.270 nan 0.000 0.433 120 K N 0.410 120.791 120.400 -0.033 0.000 2.057 120 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 120 K C 2.004 178.562 176.600 -0.070 0.000 1.050 120 K CA 1.035 57.295 56.287 -0.046 0.000 0.935 120 K CB -0.060 32.398 32.500 -0.070 0.000 0.715 120 K HN 0.200 nan 8.250 nan 0.000 0.439 121 I N 0.826 121.306 120.570 -0.149 0.000 2.286 121 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 121 I C 2.206 178.251 176.117 -0.120 0.000 1.115 121 I CA 0.969 62.109 61.300 -0.268 0.000 1.392 121 I CB -0.243 37.442 38.000 -0.525 0.000 1.065 121 I HN -0.057 nan 8.210 nan 0.000 0.418 122 V N 1.099 120.965 119.914 -0.080 0.000 2.343 122 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 122 V C 2.547 178.657 176.094 0.028 0.000 1.051 122 V CA 2.062 64.347 62.300 -0.025 0.000 1.036 122 V CB -0.709 31.095 31.823 -0.031 0.000 0.654 122 V HN 0.440 nan 8.190 nan 0.000 0.451 123 K N 0.043 120.460 120.400 0.028 0.000 2.063 123 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 123 K C 1.984 178.658 176.600 0.124 0.000 1.048 123 K CA 1.912 58.239 56.287 0.067 0.000 0.928 123 K CB -0.198 32.328 32.500 0.042 0.000 0.713 123 K HN 0.360 nan 8.250 nan 0.000 0.442 124 V N 1.359 121.342 119.914 0.115 0.000 2.358 124 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 124 V C 2.364 178.604 176.094 0.243 0.000 1.047 124 V CA 1.869 64.281 62.300 0.187 0.000 1.035 124 V CB -0.397 31.555 31.823 0.215 0.000 0.658 124 V HN 0.386 nan 8.190 nan 0.000 0.452 125 M N -0.300 119.409 119.600 0.182 0.000 2.175 125 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 125 M C 1.975 178.369 176.300 0.155 0.000 1.063 125 M CA 1.679 57.083 55.300 0.173 0.000 1.119 125 M CB -0.599 32.077 32.600 0.127 0.000 1.377 125 M HN 0.314 nan 8.290 nan 0.000 0.415 126 D N 0.215 120.698 120.400 0.139 0.000 2.117 126 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 126 D C 1.699 178.079 176.300 0.133 0.000 0.982 126 D CA 1.209 55.278 54.000 0.115 0.000 0.828 126 D CB -0.403 40.455 40.800 0.096 0.000 0.967 126 D HN 0.273 nan 8.370 nan 0.000 0.464 127 F N 1.805 121.779 119.950 0.039 0.000 2.095 127 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 127 F C 2.217 178.026 175.800 0.016 0.000 1.104 127 F CA 1.774 59.785 58.000 0.018 0.000 1.232 127 F CB -0.160 38.857 39.000 0.029 0.000 0.987 127 F HN -0.063 nan 8.300 nan 0.000 0.475 128 A N 0.149 123.107 122.820 0.229 0.000 1.902 128 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 128 A C 2.093 179.683 177.584 0.010 0.000 1.181 128 A CA 1.757 53.869 52.037 0.126 0.000 0.623 128 A CB -1.211 17.912 19.000 0.205 0.000 0.818 128 A HN 0.486 nan 8.150 nan 0.000 0.443 129 L N -0.051 121.195 121.223 0.038 0.000 2.027 129 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 129 L C 2.384 179.231 176.870 -0.038 0.000 1.074 129 L CA 2.533 57.389 54.840 0.027 0.000 0.745 129 L CB -0.514 41.581 42.059 0.061 0.000 0.898 129 L HN 0.478 nan 8.230 nan 0.000 0.433 130 K N -1.095 119.255 120.400 -0.083 0.000 2.009 130 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 130 K C 1.776 178.256 176.600 -0.201 0.000 1.049 130 K CA 2.166 58.373 56.287 -0.133 0.000 0.929 130 K CB -0.289 32.115 32.500 -0.160 0.000 0.714 130 K HN 0.579 nan 8.250 nan 0.000 0.440 131 T N -3.090 111.259 114.554 -0.341 0.000 3.081 131 T HA 0.163 4.513 4.350 -0.000 0.000 0.255 131 T C 0.985 175.574 174.700 -0.184 0.000 1.113 131 T CA 0.442 62.339 62.100 -0.338 0.000 1.082 131 T CB 0.119 68.628 68.868 -0.599 0.000 0.939 131 T HN 0.417 nan 8.240 nan 0.000 0.506 132 G N 1.377 110.106 108.800 -0.118 0.000 2.326 132 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.286 132 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.286 132 G C 0.140 175.026 174.900 -0.023 0.000 1.096 132 G CA -0.120 44.956 45.100 -0.041 0.000 1.003 132 G HN 1.413 nan 8.290 nan 0.000 0.503 133 C N -1.964 117.331 119.300 -0.007 0.000 2.848 133 C HA 0.979 5.439 4.460 -0.000 0.000 0.317 133 C C -2.129 172.895 174.990 0.056 0.000 1.260 133 C CA -2.648 56.384 59.018 0.024 0.000 1.656 133 C CB 1.872 29.640 27.740 0.048 0.000 2.174 133 C HN 0.281 nan 8.230 nan 0.000 0.479 134 P HA 0.299 nan 4.420 nan 0.000 0.270 134 P C -0.882 176.470 177.300 0.086 0.000 1.223 134 P CA -0.039 63.080 63.100 0.032 0.000 0.785 134 P CB 0.432 32.122 31.700 -0.017 0.000 0.923 135 V N 3.114 123.085 119.914 0.095 0.000 2.378 135 V HA 0.235 4.355 4.120 -0.000 0.000 0.288 135 V C -0.092 176.045 176.094 0.071 0.000 1.016 135 V CA -0.563 61.814 62.300 0.128 0.000 0.840 135 V CB 1.910 33.846 31.823 0.189 0.000 0.994 135 V HN 0.191 nan 8.190 nan 0.000 0.431 136 V N 4.221 124.140 119.914 0.008 0.000 2.328 136 V HA 0.639 4.759 4.120 -0.000 0.000 0.278 136 V C 0.789 176.697 176.094 -0.310 0.000 1.021 136 V CA -0.289 61.961 62.300 -0.083 0.000 0.838 136 V CB 1.587 33.365 31.823 -0.074 0.000 0.999 136 V HN 0.935 nan 8.190 nan 0.000 0.447 137 G N 5.432 113.999 108.800 -0.389 0.000 2.335 137 G HA2 0.661 4.621 3.960 -0.000 0.000 0.314 137 G HA3 0.661 4.621 3.960 -0.000 0.000 0.314 137 G C -0.581 173.958 174.900 -0.601 0.000 1.129 137 G CA -0.458 44.017 45.100 -1.041 0.000 0.912 137 G HN 0.666 nan 8.290 nan 0.000 0.443 138 I N 2.485 122.654 120.570 -0.669 0.000 2.306 138 I HA 0.166 4.336 4.170 -0.000 0.000 0.288 138 I C -0.570 175.529 176.117 -0.029 0.000 1.036 138 I CA -0.742 60.423 61.300 -0.224 0.000 1.221 138 I CB 1.102 39.000 38.000 -0.170 0.000 1.385 138 I HN 0.340 nan 8.210 nan 0.000 0.472 139 N N 4.979 123.717 118.700 0.064 0.000 2.456 139 N HA 0.450 5.190 4.740 -0.000 0.000 0.288 139 N C -0.770 174.823 175.510 0.138 0.000 1.059 139 N CA -0.480 52.676 53.050 0.176 0.000 0.946 139 N CB 1.158 39.757 38.487 0.186 0.000 1.150 139 N HN 0.431 nan 8.380 nan 0.000 0.479 140 D N 0.428 120.947 120.400 0.197 0.000 2.881 140 D HA 0.110 4.750 4.640 -0.000 0.000 0.238 140 D C -1.688 174.813 176.300 0.334 0.000 1.368 140 D CA -0.107 54.004 54.000 0.184 0.000 0.871 140 D CB 0.180 41.066 40.800 0.142 0.000 1.516 140 D HN 0.317 nan 8.370 nan 0.000 0.544 141 S N 0.277 116.157 115.700 0.300 0.000 2.547 141 S HA 0.623 5.093 4.470 -0.000 0.000 0.281 141 S C 1.214 175.968 174.600 0.258 0.000 1.118 141 S CA -0.047 58.339 58.200 0.311 0.000 0.947 141 S CB 1.401 64.738 63.200 0.229 0.000 1.053 141 S HN 0.266 nan 8.310 nan 0.000 0.482 142 G N 2.114 111.076 108.800 0.270 0.000 2.598 142 G HA2 0.454 4.414 3.960 -0.000 0.000 0.215 142 G HA3 0.454 4.414 3.960 -0.000 0.000 0.215 142 G C 0.892 175.855 174.900 0.104 0.000 1.131 142 G CA 0.520 45.748 45.100 0.213 0.000 0.785 142 G HN 1.538 nan 8.290 nan 0.000 0.539 143 G N -1.294 107.549 108.800 0.073 0.000 2.247 143 G HA2 0.488 4.448 3.960 -0.000 0.000 0.229 143 G HA3 0.488 4.448 3.960 -0.000 0.000 0.229 143 G C -0.562 174.373 174.900 0.059 0.000 1.345 143 G CA -0.183 44.950 45.100 0.055 0.000 1.100 143 G HN 1.046 nan 8.290 nan 0.000 0.473 144 A N -0.149 122.721 122.820 0.083 0.000 2.327 144 A HA 0.742 5.062 4.320 -0.000 0.000 0.283 144 A C 0.713 178.255 177.584 -0.071 0.000 1.127 144 A CA 0.055 52.120 52.037 0.047 0.000 0.810 144 A CB 0.572 19.678 19.000 0.177 0.000 1.066 144 A HN 0.856 nan 8.150 nan 0.000 0.492 145 R N 2.612 123.010 120.500 -0.171 0.000 2.441 145 R HA 0.099 4.439 4.340 -0.000 0.000 0.300 145 R C 0.909 177.114 176.300 -0.158 0.000 1.284 145 R CA -0.315 55.662 56.100 -0.206 0.000 1.069 145 R CB -0.375 29.733 30.300 -0.320 0.000 1.087 145 R HN 0.797 nan 8.270 nan 0.000 0.519 146 I N 3.584 124.085 120.570 -0.115 0.000 2.181 146 I HA -0.377 3.793 4.170 -0.000 0.000 0.247 146 I C 1.483 177.557 176.117 -0.072 0.000 1.081 146 I CA 1.891 63.138 61.300 -0.089 0.000 1.340 146 I CB 0.069 38.002 38.000 -0.111 0.000 1.036 146 I HN 0.637 nan 8.210 nan 0.000 0.417 147 Q N 0.578 120.317 119.800 -0.101 0.000 2.133 147 Q HA -0.248 4.092 4.340 -0.000 0.000 0.208 147 Q C 2.035 178.063 176.000 0.048 0.000 0.991 147 Q CA 2.316 58.138 55.803 0.033 0.000 0.867 147 Q CB -0.398 28.307 28.738 -0.055 0.000 0.911 147 Q HN 0.641 nan 8.270 nan 0.000 0.417 148 E N -0.151 120.002 120.200 -0.079 0.000 2.511 148 E HA 0.075 4.425 4.350 -0.000 0.000 0.196 148 E C 0.950 177.530 176.600 -0.033 0.000 1.066 148 E CA 0.060 56.413 56.400 -0.078 0.000 0.871 148 E CB -0.171 29.441 29.700 -0.148 0.000 0.863 148 E HN 0.413 nan 8.360 nan 0.000 0.520 149 G N 1.207 110.009 108.800 0.003 0.000 2.594 149 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.297 149 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.297 149 G C 1.156 176.056 174.900 0.001 0.000 1.273 149 G CA 0.949 46.061 45.100 0.020 0.000 0.974 149 G HN 0.464 nan 8.290 nan 0.000 0.552 150 V N -1.607 118.312 119.914 0.009 0.000 2.828 150 V HA 0.144 4.264 4.120 -0.000 0.000 0.260 150 V C 3.050 179.137 176.094 -0.012 0.000 1.101 150 V CA 2.731 65.036 62.300 0.009 0.000 1.123 150 V CB -1.510 30.320 31.823 0.012 0.000 0.704 150 V HN 2.178 nan 8.190 nan 0.000 0.493 151 A N 1.676 124.478 122.820 -0.031 0.000 2.024 151 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 151 A C 2.579 180.105 177.584 -0.097 0.000 1.164 151 A CA 2.340 54.343 52.037 -0.055 0.000 0.643 151 A CB -0.869 18.097 19.000 -0.057 0.000 0.806 151 A HN 0.981 nan 8.150 nan 0.000 0.451 152 S N 0.011 115.648 115.700 -0.106 0.000 2.387 152 S HA -0.024 4.446 4.470 -0.000 0.000 0.226 152 S C 1.817 176.335 174.600 -0.136 0.000 1.026 152 S CA 1.192 59.274 58.200 -0.196 0.000 0.972 152 S CB -0.687 62.415 63.200 -0.163 0.000 0.814 152 S HN 0.470 nan 8.310 nan 0.000 0.477 153 L N 1.412 122.652 121.223 0.028 0.000 2.141 153 L HA 0.071 4.411 4.340 -0.000 0.000 0.209 153 L C 2.955 179.845 176.870 0.034 0.000 1.094 153 L CA 1.077 55.995 54.840 0.130 0.000 0.763 153 L CB -1.306 40.813 42.059 0.101 0.000 0.908 153 L HN 0.518 nan 8.230 nan 0.000 0.437 154 G N 0.007 108.789 108.800 -0.030 0.000 2.421 154 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 154 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 154 G C 1.817 176.652 174.900 -0.107 0.000 1.171 154 G CA 0.818 45.887 45.100 -0.051 0.000 0.775 154 G HN 0.441 nan 8.290 nan 0.000 0.543 155 A N 0.102 122.818 122.820 -0.173 0.000 1.902 155 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 155 A C 2.238 179.636 177.584 -0.310 0.000 1.181 155 A CA 1.635 53.527 52.037 -0.242 0.000 0.623 155 A CB -0.692 18.118 19.000 -0.317 0.000 0.818 155 A HN 0.363 nan 8.150 nan 0.000 0.443 156 Y N 0.167 120.255 120.300 -0.354 0.000 2.128 156 Y HA -0.133 4.417 4.550 -0.000 0.000 0.284 156 Y C 2.844 178.100 175.900 -1.073 0.000 1.154 156 Y CA 0.959 58.635 58.100 -0.706 0.000 1.149 156 Y CB -1.185 36.928 38.460 -0.578 0.000 0.976 156 Y HN 0.307 nan 8.280 nan 0.000 0.505 157 G N -0.369 108.203 108.800 -0.379 0.000 2.440 157 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 157 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 157 G C 1.614 176.437 174.900 -0.127 0.000 1.154 157 G CA 1.062 46.060 45.100 -0.170 0.000 0.767 157 G HN 0.289 nan 8.290 nan 0.000 0.552 158 E N 0.367 120.480 120.200 -0.144 0.000 2.106 158 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 158 E C 2.603 179.146 176.600 -0.095 0.000 0.984 158 E CA 0.493 56.834 56.400 -0.099 0.000 0.806 158 E CB -0.150 29.494 29.700 -0.093 0.000 0.750 158 E HN 0.540 nan 8.360 nan 0.000 0.458 159 I N 0.413 120.887 120.570 -0.160 0.000 2.252 159 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 159 I C 2.124 178.287 176.117 0.078 0.000 1.102 159 I CA 0.742 61.994 61.300 -0.080 0.000 1.385 159 I CB -0.302 37.620 38.000 -0.129 0.000 1.064 159 I HN -0.037 nan 8.210 nan 0.000 0.414 160 F N 1.011 120.996 119.950 0.058 0.000 2.095 160 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 160 F C 2.669 178.466 175.800 -0.004 0.000 1.104 160 F CA 1.301 59.327 58.000 0.045 0.000 1.232 160 F CB -1.228 37.795 39.000 0.039 0.000 0.987 160 F HN 0.026 nan 8.300 nan 0.000 0.475 161 R N 0.461 121.040 120.500 0.132 0.000 2.083 161 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 161 R C 2.423 178.634 176.300 -0.149 0.000 1.137 161 R CA 1.307 57.367 56.100 -0.067 0.000 0.951 161 R CB -0.051 30.154 30.300 -0.159 0.000 0.851 161 R HN 0.091 nan 8.270 nan 0.000 0.434 162 R N 0.626 121.092 120.500 -0.057 0.000 2.081 162 R HA -0.088 4.252 4.340 -0.000 0.000 0.235 162 R C 1.948 178.304 176.300 0.094 0.000 1.131 162 R CA 1.757 57.858 56.100 0.003 0.000 0.960 162 R CB -1.186 29.137 30.300 0.037 0.000 0.856 162 R HN 0.465 nan 8.270 nan 0.000 0.436 163 N N -0.297 118.481 118.700 0.131 0.000 2.094 163 N HA -0.144 4.596 4.740 -0.000 0.000 0.191 163 N C 1.547 177.142 175.510 0.143 0.000 1.023 163 N CA 2.141 55.288 53.050 0.161 0.000 0.857 163 N CB -0.149 38.458 38.487 0.200 0.000 1.013 163 N HN 0.206 nan 8.380 nan 0.000 0.426 164 T N -0.398 114.236 114.554 0.133 0.000 2.701 164 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 164 T C 1.426 176.257 174.700 0.219 0.000 1.040 164 T CA 1.016 63.202 62.100 0.144 0.000 1.147 164 T CB -0.490 68.464 68.868 0.143 0.000 0.865 164 T HN 0.410 nan 8.240 nan 0.000 0.426 165 H N 0.624 119.725 119.070 0.051 0.000 2.421 165 H HA 0.079 4.635 4.556 -0.000 0.000 0.298 165 H C 2.337 177.694 175.328 0.049 0.000 1.087 165 H CA 0.770 56.844 56.048 0.043 0.000 1.330 165 H CB 0.032 29.821 29.762 0.045 0.000 1.388 165 H HN 0.356 nan 8.280 nan 0.000 0.526 166 A N 0.743 123.682 122.820 0.198 0.000 2.208 166 A HA 0.000 4.320 4.320 -0.000 0.000 0.209 166 A C 1.277 178.948 177.584 0.145 0.000 1.161 166 A CA -0.029 52.101 52.037 0.156 0.000 0.782 166 A CB 0.056 19.152 19.000 0.160 0.000 0.816 166 A HN 0.173 nan 8.150 nan 0.000 0.477 167 S N 0.126 115.897 115.700 0.119 0.000 2.509 167 S HA 0.384 4.854 4.470 -0.000 0.000 0.287 167 S C 1.350 175.957 174.600 0.010 0.000 1.248 167 S CA 0.813 59.065 58.200 0.086 0.000 1.089 167 S CB -0.327 62.905 63.200 0.053 0.000 0.900 167 S HN 1.791 nan 8.310 nan 0.000 0.496 168 G N 2.983 111.763 108.800 -0.033 0.000 2.148 168 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.254 168 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.254 168 G C 0.502 175.200 174.900 -0.337 0.000 0.981 168 G CA 0.320 45.188 45.100 -0.387 0.000 0.670 168 G HN 0.833 nan 8.290 nan 0.000 0.528 169 V N 0.167 120.088 119.914 0.012 0.000 2.854 169 V HA 0.437 4.557 4.120 -0.000 0.000 0.236 169 V C 1.175 177.466 176.094 0.327 0.000 1.157 169 V CA 1.634 63.995 62.300 0.102 0.000 1.187 169 V CB 0.167 32.041 31.823 0.086 0.000 0.949 169 V HN 0.729 nan 8.190 nan 0.000 0.488 170 I N -1.916 118.879 120.570 0.375 0.000 2.647 170 I HA 0.624 4.794 4.170 -0.000 0.000 0.295 170 I C -3.124 173.150 176.117 0.262 0.000 1.078 170 I CA -2.695 58.786 61.300 0.302 0.000 1.048 170 I CB 2.145 40.238 38.000 0.155 0.000 1.239 170 I HN -0.058 nan 8.210 nan 0.000 0.421 171 P HA 0.125 nan 4.420 nan 0.000 0.265 171 P C -1.347 175.968 177.300 0.026 0.000 1.193 171 P CA 0.170 63.126 63.100 -0.239 0.000 0.765 171 P CB 0.408 31.867 31.700 -0.403 0.000 0.823 172 Q N 2.611 122.470 119.800 0.099 0.000 2.320 172 Q HA 0.503 4.843 4.340 -0.000 0.000 0.268 172 Q C -0.682 175.403 176.000 0.141 0.000 1.023 172 Q CA -0.329 55.552 55.803 0.131 0.000 0.744 172 Q CB 1.586 30.420 28.738 0.160 0.000 1.246 172 Q HN 0.419 nan 8.270 nan 0.000 0.462 173 I N 1.287 121.934 120.570 0.127 0.000 2.404 173 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 173 I C -0.249 175.930 176.117 0.105 0.000 0.992 173 I CA -0.601 60.791 61.300 0.152 0.000 1.149 173 I CB 2.069 40.148 38.000 0.132 0.000 1.315 173 I HN 0.408 nan 8.210 nan 0.000 0.446 174 S N 6.882 122.660 115.700 0.131 0.000 2.438 174 S HA 0.468 4.938 4.470 -0.000 0.000 0.316 174 S C -0.404 174.247 174.600 0.085 0.000 1.084 174 S CA -0.512 57.745 58.200 0.096 0.000 1.107 174 S CB 1.021 64.299 63.200 0.129 0.000 0.981 174 S HN 0.412 nan 8.310 nan 0.000 0.466 175 L N 5.100 126.339 121.223 0.026 0.000 2.264 175 L HA 0.478 4.818 4.340 -0.000 0.000 0.287 175 L C -1.107 175.777 176.870 0.022 0.000 1.039 175 L CA -0.546 54.312 54.840 0.030 0.000 0.829 175 L CB 0.732 42.788 42.059 -0.005 0.000 1.211 175 L HN 0.374 nan 8.230 nan 0.000 0.427 176 V N 6.025 125.960 119.914 0.035 0.000 2.318 176 V HA 0.125 4.245 4.120 -0.000 0.000 0.271 176 V C 0.659 176.756 176.094 0.005 0.000 1.030 176 V CA -0.373 61.943 62.300 0.027 0.000 0.844 176 V CB 1.255 33.092 31.823 0.022 0.000 1.015 176 V HN 0.645 nan 8.190 nan 0.000 0.460 177 V N 1.728 121.644 119.914 0.004 0.000 2.988 177 V HA 0.882 5.002 4.120 -0.000 0.000 0.356 177 V C 0.534 176.609 176.094 -0.033 0.000 1.380 177 V CA 0.458 62.748 62.300 -0.017 0.000 1.184 177 V CB -0.040 31.776 31.823 -0.011 0.000 1.204 177 V HN 0.844 nan 8.190 nan 0.000 0.530 178 G N -0.027 108.761 108.800 -0.019 0.000 2.570 178 G HA2 0.581 4.541 3.960 -0.000 0.000 0.310 178 G HA3 0.581 4.541 3.960 -0.000 0.000 0.310 178 G C -3.571 171.343 174.900 0.024 0.000 1.266 178 G CA -1.023 44.047 45.100 -0.050 0.000 0.825 178 G HN 0.105 nan 8.290 nan 0.000 0.483 179 P HA 0.450 nan 4.420 nan 0.000 0.274 179 P C -0.736 176.593 177.300 0.048 0.000 1.231 179 P CA -0.182 62.971 63.100 0.088 0.000 0.790 179 P CB 1.427 33.191 31.700 0.107 0.000 0.951 180 C N 3.258 122.522 119.300 -0.061 0.000 3.171 180 C HA 0.762 5.222 4.460 -0.000 0.000 0.336 180 C C -0.508 174.240 174.990 -0.404 0.000 1.035 180 C CA 0.014 58.959 59.018 -0.122 0.000 1.361 180 C CB -1.097 26.603 27.740 -0.067 0.000 1.804 180 C HN 0.653 nan 8.230 nan 0.000 0.535 181 A N 3.856 126.410 122.820 -0.443 0.000 2.354 181 A HA 0.999 5.319 4.320 -0.000 0.000 0.321 181 A C 0.618 177.982 177.584 -0.367 0.000 1.125 181 A CA 0.624 52.234 52.037 -0.712 0.000 0.799 181 A CB 0.902 19.484 19.000 -0.696 0.000 1.293 181 A HN 2.652 nan 8.150 nan 0.000 0.452 182 G N 0.020 108.633 108.800 -0.310 0.000 2.598 182 G HA2 0.149 4.109 3.960 -0.000 0.000 0.244 182 G HA3 0.149 4.109 3.960 -0.000 0.000 0.244 182 G C 1.127 175.845 174.900 -0.304 0.000 1.302 182 G CA 0.426 45.401 45.100 -0.208 0.000 0.903 182 G HN 2.058 nan 8.290 nan 0.000 0.575 183 G N -0.120 108.517 108.800 -0.271 0.000 2.501 183 G HA2 0.261 4.221 3.960 -0.000 0.000 0.220 183 G HA3 0.261 4.221 3.960 -0.000 0.000 0.220 183 G C 2.077 176.841 174.900 -0.226 0.000 1.114 183 G CA 2.563 47.552 45.100 -0.186 0.000 0.757 183 G HN 1.991 nan 8.290 nan 0.000 0.559 184 A N 0.824 123.374 122.820 -0.450 0.000 1.986 184 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 184 A C 2.709 180.263 177.584 -0.049 0.000 1.171 184 A CA 2.387 54.299 52.037 -0.209 0.000 0.640 184 A CB -0.771 18.184 19.000 -0.074 0.000 0.811 184 A HN 0.982 nan 8.150 nan 0.000 0.451 185 V N -3.927 115.832 119.914 -0.259 0.000 2.568 185 V HA -0.264 3.856 4.120 -0.000 0.000 0.253 185 V C 2.162 178.122 176.094 -0.223 0.000 1.072 185 V CA 1.915 64.043 62.300 -0.287 0.000 1.084 185 V CB -1.490 30.063 31.823 -0.451 0.000 0.676 185 V HN 0.523 nan 8.190 nan 0.000 0.469 186 Y N 1.117 121.336 120.300 -0.135 0.000 2.421 186 Y HA -0.010 4.540 4.550 -0.000 0.000 0.292 186 Y C 3.059 178.858 175.900 -0.169 0.000 1.136 186 Y CA 1.034 58.963 58.100 -0.285 0.000 1.255 186 Y CB -0.897 37.152 38.460 -0.686 0.000 0.991 186 Y HN 0.383 nan 8.280 nan 0.000 0.552 187 S N -0.029 115.832 115.700 0.268 0.000 2.345 187 S HA -0.057 4.413 4.470 -0.000 0.000 0.219 187 S C -0.481 174.254 174.600 0.225 0.000 1.031 187 S CA 1.008 59.431 58.200 0.371 0.000 0.984 187 S CB -1.008 62.483 63.200 0.486 0.000 0.874 187 S HN 0.183 nan 8.310 nan 0.000 0.451 188 P HA 0.062 nan 4.420 nan 0.000 0.218 188 P C 1.400 178.761 177.300 0.101 0.000 1.149 188 P CA 1.386 64.569 63.100 0.138 0.000 0.817 188 P CB -0.206 31.551 31.700 0.096 0.000 0.785 189 A N -0.461 122.401 122.820 0.070 0.000 1.940 189 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 189 A C 2.130 179.749 177.584 0.059 0.000 1.176 189 A CA 1.588 53.657 52.037 0.054 0.000 0.631 189 A CB -1.599 17.445 19.000 0.073 0.000 0.814 189 A HN 0.154 nan 8.150 nan 0.000 0.446 190 I N 0.353 120.963 120.570 0.067 0.000 2.617 190 I HA -0.084 4.086 4.170 -0.000 0.000 0.256 190 I C 1.518 177.680 176.117 0.075 0.000 1.167 190 I CA 0.730 62.064 61.300 0.057 0.000 1.469 190 I CB -0.749 37.288 38.000 0.063 0.000 1.098 190 I HN 0.432 nan 8.210 nan 0.000 0.436 191 T N -1.351 113.265 114.554 0.104 0.000 2.791 191 T HA -0.050 4.300 4.350 -0.000 0.000 0.323 191 T C 0.907 175.626 174.700 0.031 0.000 1.082 191 T CA -0.344 61.818 62.100 0.103 0.000 1.084 191 T CB 0.791 69.740 68.868 0.136 0.000 0.992 191 T HN 0.118 nan 8.240 nan 0.000 0.547 192 D N 0.285 120.677 120.400 -0.013 0.000 2.117 192 D HA 0.038 4.678 4.640 -0.000 0.000 0.198 192 D C 0.057 175.923 176.300 -0.724 0.000 0.982 192 D CA 1.377 55.209 54.000 -0.279 0.000 0.828 192 D CB -0.052 40.651 40.800 -0.161 0.000 0.967 192 D HN 0.522 nan 8.370 nan 0.000 0.464 193 F N -0.319 119.584 119.950 -0.079 0.000 2.569 193 F HA 0.310 4.837 4.527 -0.000 0.000 0.312 193 F C -0.111 175.703 175.800 0.024 0.000 1.109 193 F CA -0.734 57.105 58.000 -0.268 0.000 0.919 193 F CB 2.372 41.314 39.000 -0.098 0.000 1.211 193 F HN -0.486 nan 8.300 nan 0.000 0.446 194 T N 2.762 117.554 114.554 0.396 0.000 2.809 194 T HA 0.501 4.851 4.350 -0.000 0.000 0.284 194 T C -1.307 173.570 174.700 0.294 0.000 0.992 194 T CA -0.573 61.715 62.100 0.315 0.000 0.957 194 T CB 1.568 70.583 68.868 0.245 0.000 0.942 194 T HN 0.457 nan 8.240 nan 0.000 0.439 195 V N 6.155 126.188 119.914 0.197 0.000 2.384 195 V HA 0.678 4.798 4.120 -0.000 0.000 0.287 195 V C -0.698 175.432 176.094 0.060 0.000 1.020 195 V CA -0.671 61.710 62.300 0.135 0.000 0.850 195 V CB 1.101 33.027 31.823 0.172 0.000 0.987 195 V HN 0.882 nan 8.190 nan 0.000 0.436 196 M N 5.524 125.122 119.600 -0.003 0.000 2.762 196 M HA 0.637 5.117 4.480 -0.000 0.000 0.306 196 M C -1.100 175.154 176.300 -0.078 0.000 1.223 196 M CA -0.990 54.288 55.300 -0.037 0.000 0.896 196 M CB 2.272 34.846 32.600 -0.043 0.000 1.684 196 M HN 0.384 nan 8.290 nan 0.000 0.491 197 V N 0.722 120.588 119.914 -0.080 0.000 2.409 197 V HA 0.174 4.294 4.120 -0.000 0.000 0.291 197 V C -0.676 175.350 176.094 -0.114 0.000 1.020 197 V CA -0.807 61.441 62.300 -0.086 0.000 0.848 197 V CB 1.583 33.373 31.823 -0.055 0.000 0.990 197 V HN 0.762 nan 8.190 nan 0.000 0.430 198 D N 4.642 124.974 120.400 -0.112 0.000 2.493 198 D HA 0.045 4.685 4.640 -0.000 0.000 0.240 198 D C 0.962 177.208 176.300 -0.090 0.000 1.142 198 D CA 0.838 54.775 54.000 -0.106 0.000 0.872 198 D CB 0.581 41.328 40.800 -0.089 0.000 1.173 198 D HN 0.587 nan 8.370 nan 0.000 0.467 199 Q N 1.779 121.517 119.800 -0.103 0.000 2.348 199 Q HA -0.212 4.128 4.340 -0.000 0.000 0.221 199 Q C 0.667 176.644 176.000 -0.038 0.000 0.735 199 Q CA 1.752 57.528 55.803 -0.045 0.000 1.351 199 Q CB -2.351 26.385 28.738 -0.003 0.000 1.640 199 Q HN 0.659 nan 8.270 nan 0.000 0.667 200 T N -1.657 112.830 114.554 -0.112 0.000 2.975 200 T HA 0.152 4.502 4.350 -0.000 0.000 0.261 200 T C 0.482 175.119 174.700 -0.105 0.000 0.984 200 T CA 0.646 62.705 62.100 -0.069 0.000 0.911 200 T CB 0.630 69.463 68.868 -0.057 0.000 1.127 200 T HN 0.398 nan 8.240 nan 0.000 0.514 201 S N 1.133 116.675 115.700 -0.263 0.000 2.569 201 S HA 0.794 5.264 4.470 -0.000 0.000 0.280 201 S C -1.634 172.675 174.600 -0.486 0.000 1.111 201 S CA -0.875 57.201 58.200 -0.206 0.000 0.887 201 S CB 1.905 65.044 63.200 -0.102 0.000 1.095 201 S HN 0.344 nan 8.310 nan 0.000 0.476 202 H N 0.136 119.266 119.070 0.101 0.000 2.996 202 H HA 0.663 5.219 4.556 -0.000 0.000 0.368 202 H C -1.027 174.439 175.328 0.229 0.000 1.185 202 H CA -0.627 55.558 56.048 0.229 0.000 1.160 202 H CB 1.664 31.614 29.762 0.313 0.000 1.820 202 H HN 0.610 nan 8.280 nan 0.000 0.547 203 M N 3.148 123.003 119.600 0.425 0.000 2.393 203 M HA 0.554 5.034 4.480 -0.000 0.000 0.299 203 M C -1.684 174.853 176.300 0.395 0.000 1.103 203 M CA -0.769 54.619 55.300 0.146 0.000 0.910 203 M CB 2.123 34.619 32.600 -0.174 0.000 1.659 203 M HN 0.619 nan 8.290 nan 0.000 0.445 204 F N -0.025 119.987 119.950 0.103 0.000 2.690 204 F HA 0.512 5.039 4.527 -0.000 0.000 0.311 204 F C -0.680 175.115 175.800 -0.007 0.000 1.111 204 F CA -1.003 57.052 58.000 0.091 0.000 1.003 204 F CB 0.567 39.657 39.000 0.150 0.000 1.283 204 F HN 0.504 nan 8.300 nan 0.000 0.442 205 I N 0.408 121.028 120.570 0.084 0.000 2.480 205 I HA 0.048 4.218 4.170 -0.000 0.000 0.251 205 I C 0.285 176.474 176.117 0.120 0.000 1.124 205 I CA 1.026 62.304 61.300 -0.038 0.000 1.444 205 I CB 0.020 37.976 38.000 -0.073 0.000 1.098 205 I HN 0.671 nan 8.210 nan 0.000 0.428 206 T N 0.706 115.415 114.554 0.259 0.000 2.861 206 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 206 T C 0.140 174.995 174.700 0.259 0.000 1.003 206 T CA -0.569 61.667 62.100 0.228 0.000 0.977 206 T CB 1.933 70.861 68.868 0.099 0.000 0.996 206 T HN 0.250 nan 8.240 nan 0.000 0.448 207 G N 2.268 111.182 108.800 0.189 0.000 2.606 207 G HA2 0.362 4.322 3.960 -0.000 0.000 0.252 207 G HA3 0.362 4.322 3.960 -0.000 0.000 0.252 207 G C -1.656 173.078 174.900 -0.276 0.000 1.206 207 G CA -1.309 43.720 45.100 -0.119 0.000 0.861 207 G HN 0.411 nan 8.290 nan 0.000 0.561 208 P HA -0.067 nan 4.420 nan 0.000 0.218 208 P C 0.843 177.981 177.300 -0.270 0.000 1.148 208 P CA 1.405 64.228 63.100 -0.462 0.000 0.822 208 P CB 0.195 31.451 31.700 -0.739 0.000 0.784 209 D N -1.000 119.266 120.400 -0.222 0.000 2.117 209 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 209 D C 1.871 178.125 176.300 -0.077 0.000 0.982 209 D CA 0.911 54.839 54.000 -0.119 0.000 0.828 209 D CB -0.937 39.821 40.800 -0.070 0.000 0.967 209 D HN -0.037 nan 8.370 nan 0.000 0.464 210 V N 1.862 121.741 119.914 -0.059 0.000 2.295 210 V HA -0.217 3.902 4.120 -0.000 0.000 0.246 210 V C 2.457 178.529 176.094 -0.037 0.000 1.049 210 V CA 1.601 63.884 62.300 -0.029 0.000 1.024 210 V CB -0.800 31.024 31.823 0.000 0.000 0.648 210 V HN 0.342 nan 8.190 nan 0.000 0.447 211 I N -2.013 118.524 120.570 -0.055 0.000 2.454 211 I HA -0.136 4.034 4.170 -0.000 0.000 0.254 211 I C 2.450 178.533 176.117 -0.056 0.000 1.156 211 I CA 1.633 62.902 61.300 -0.051 0.000 1.433 211 I CB -0.600 37.361 38.000 -0.065 0.000 1.082 211 I HN 0.136 nan 8.210 nan 0.000 0.432 212 K N 1.963 122.319 120.400 -0.073 0.000 2.031 212 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 212 K C 2.114 178.686 176.600 -0.046 0.000 1.049 212 K CA 2.228 58.475 56.287 -0.067 0.000 0.939 212 K CB -0.466 31.983 32.500 -0.085 0.000 0.717 212 K HN 0.578 nan 8.250 nan 0.000 0.438 213 T N -1.770 112.760 114.554 -0.040 0.000 3.148 213 T HA 0.037 4.387 4.350 -0.000 0.000 0.253 213 T C 1.537 176.225 174.700 -0.020 0.000 1.134 213 T CA 0.498 62.582 62.100 -0.027 0.000 1.051 213 T CB 0.523 69.378 68.868 -0.022 0.000 0.959 213 T HN -0.017 nan 8.240 nan 0.000 0.525 214 V N 0.082 119.983 119.914 -0.021 0.000 3.473 214 V HA 0.192 4.312 4.120 -0.000 0.000 0.253 214 V C 1.842 177.927 176.094 -0.015 0.000 1.340 214 V CA 1.025 63.316 62.300 -0.014 0.000 1.103 214 V CB 0.649 32.466 31.823 -0.010 0.000 0.881 214 V HN 0.550 nan 8.190 nan 0.000 0.451 215 T N -0.916 113.626 114.554 -0.021 0.000 2.969 215 T HA 0.349 4.699 4.350 -0.000 0.000 0.250 215 T C 1.355 176.041 174.700 -0.023 0.000 1.021 215 T CA 0.739 62.827 62.100 -0.020 0.000 1.003 215 T CB 0.825 69.680 68.868 -0.022 0.000 1.040 215 T HN 0.905 nan 8.240 nan 0.000 0.492 216 G N 2.229 111.012 108.800 -0.028 0.000 2.176 216 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.253 216 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.253 216 G C -0.217 174.661 174.900 -0.036 0.000 0.979 216 G CA -0.224 44.858 45.100 -0.029 0.000 0.641 216 G HN 0.547 nan 8.290 nan 0.000 0.530 217 E N 1.295 121.470 120.200 -0.041 0.000 2.290 217 E HA 0.349 4.699 4.350 -0.000 0.000 0.277 217 E C -0.770 175.790 176.600 -0.067 0.000 1.035 217 E CA -0.314 56.057 56.400 -0.049 0.000 0.873 217 E CB 0.822 30.493 29.700 -0.048 0.000 1.029 217 E HN 0.231 nan 8.360 nan 0.000 0.419 218 D N 2.594 122.955 120.400 -0.065 0.000 2.280 218 D HA 0.333 4.973 4.640 -0.000 0.000 0.236 218 D C -1.085 175.160 176.300 -0.092 0.000 1.082 218 D CA -0.130 53.822 54.000 -0.080 0.000 0.834 218 D CB 1.937 42.699 40.800 -0.063 0.000 1.100 218 D HN 0.093 nan 8.370 nan 0.000 0.486 219 V N 1.474 121.309 119.914 -0.132 0.000 3.048 219 V HA 0.677 4.797 4.120 -0.000 0.000 0.303 219 V C -0.310 175.658 176.094 -0.210 0.000 1.214 219 V CA -0.525 61.690 62.300 -0.142 0.000 0.984 219 V CB 2.218 33.959 31.823 -0.136 0.000 1.054 219 V HN 0.540 nan 8.190 nan 0.000 0.430 220 G N 2.509 111.209 108.800 -0.167 0.000 2.477 220 G HA2 0.463 4.423 3.960 -0.000 0.000 0.304 220 G HA3 0.463 4.423 3.960 -0.000 0.000 0.304 220 G C 0.115 174.887 174.900 -0.214 0.000 1.175 220 G CA -0.279 44.709 45.100 -0.187 0.000 0.907 220 G HN 0.664 nan 8.290 nan 0.000 0.509 221 F N -0.290 119.548 119.950 -0.187 0.000 2.126 221 F HA -0.077 4.450 4.527 -0.000 0.000 0.299 221 F C 2.630 178.401 175.800 -0.050 0.000 1.096 221 F CA 1.842 59.687 58.000 -0.258 0.000 1.255 221 F CB -0.062 38.672 39.000 -0.443 0.000 0.997 221 F HN 0.526 nan 8.300 nan 0.000 0.479 222 E N 0.578 120.906 120.200 0.214 0.000 2.051 222 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 222 E C 2.086 178.761 176.600 0.126 0.000 0.991 222 E CA 1.767 58.328 56.400 0.269 0.000 0.799 222 E CB -0.326 29.485 29.700 0.186 0.000 0.748 222 E HN 0.523 nan 8.360 nan 0.000 0.449 223 E N -0.794 119.431 120.200 0.041 0.000 2.107 223 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 223 E C 2.065 178.640 176.600 -0.041 0.000 0.982 223 E CA 0.807 57.200 56.400 -0.012 0.000 0.809 223 E CB -0.187 29.494 29.700 -0.032 0.000 0.756 223 E HN 0.279 nan 8.360 nan 0.000 0.459 224 L N -0.015 121.178 121.223 -0.050 0.000 1.976 224 L HA 0.013 4.353 4.340 -0.000 0.000 0.209 224 L C 1.570 178.422 176.870 -0.030 0.000 1.071 224 L CA 2.425 57.226 54.840 -0.065 0.000 0.746 224 L CB -0.287 41.684 42.059 -0.147 0.000 0.890 224 L HN 0.187 nan 8.230 nan 0.000 0.432 225 G N -1.146 107.710 108.800 0.093 0.000 4.921 225 G HA2 0.447 4.407 3.960 -0.000 0.000 0.248 225 G HA3 0.447 4.407 3.960 -0.000 0.000 0.248 225 G C 0.265 175.318 174.900 0.254 0.000 1.026 225 G CA 0.073 45.259 45.100 0.144 0.000 0.825 225 G HN 0.635 nan 8.290 nan 0.000 0.538 226 G N -0.582 108.291 108.800 0.123 0.000 2.599 226 G HA2 0.499 4.459 3.960 -0.000 0.000 0.264 226 G HA3 0.499 4.459 3.960 -0.000 0.000 0.264 226 G C 1.328 176.219 174.900 -0.014 0.000 1.200 226 G CA 0.352 45.484 45.100 0.053 0.000 0.896 226 G HN 0.575 nan 8.290 nan 0.000 0.536 227 A N 0.207 122.973 122.820 -0.090 0.000 1.892 227 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 227 A C 2.344 179.899 177.584 -0.048 0.000 1.188 227 A CA 2.077 54.078 52.037 -0.059 0.000 0.631 227 A CB -0.501 18.429 19.000 -0.116 0.000 0.822 227 A HN 0.690 nan 8.150 nan 0.000 0.447 228 R N -1.076 119.387 120.500 -0.061 0.000 2.081 228 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 228 R C 2.227 178.497 176.300 -0.050 0.000 1.131 228 R CA 2.005 58.074 56.100 -0.051 0.000 0.960 228 R CB -0.648 29.627 30.300 -0.042 0.000 0.856 228 R HN 0.498 nan 8.270 nan 0.000 0.436 229 T N 0.339 114.841 114.554 -0.087 0.000 2.652 229 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 229 T C 1.476 176.067 174.700 -0.183 0.000 1.039 229 T CA 1.492 63.498 62.100 -0.157 0.000 1.153 229 T CB -0.378 68.328 68.868 -0.269 0.000 0.863 229 T HN 0.409 nan 8.240 nan 0.000 0.428 230 H N 0.507 119.558 119.070 -0.032 0.000 2.546 230 H HA 0.142 4.698 4.556 -0.000 0.000 0.277 230 H C 1.789 177.041 175.328 -0.127 0.000 1.004 230 H CA 0.727 56.729 56.048 -0.076 0.000 1.231 230 H CB -0.147 29.578 29.762 -0.061 0.000 1.382 230 H HN 0.364 nan 8.280 nan 0.000 0.580 231 N N -0.482 118.219 118.700 0.002 0.000 2.405 231 N HA -0.071 4.669 4.740 -0.000 0.000 0.175 231 N C 1.476 177.011 175.510 0.041 0.000 1.051 231 N CA 0.797 53.829 53.050 -0.029 0.000 0.899 231 N CB 0.516 38.974 38.487 -0.049 0.000 1.000 231 N HN 0.188 nan 8.380 nan 0.000 0.451 232 S N -3.111 112.633 115.700 0.074 0.000 2.604 232 S HA 0.237 4.707 4.470 -0.000 0.000 0.235 232 S C 1.253 176.008 174.600 0.260 0.000 1.043 232 S CA -0.164 58.146 58.200 0.183 0.000 0.997 232 S CB 0.461 63.716 63.200 0.092 0.000 0.956 232 S HN -0.015 nan 8.310 nan 0.000 0.535 233 T N 2.317 116.960 114.554 0.149 0.000 3.205 233 T HA 0.141 4.491 4.350 -0.000 0.000 0.238 233 T C 2.090 176.877 174.700 0.145 0.000 0.974 233 T CA 0.955 63.145 62.100 0.149 0.000 1.246 233 T CB -0.383 68.509 68.868 0.039 0.000 1.007 233 T HN 0.536 nan 8.240 nan 0.000 0.414 234 S N 1.168 116.873 115.700 0.009 0.000 2.453 234 S HA 0.217 4.687 4.470 -0.000 0.000 0.231 234 S C 1.948 176.396 174.600 -0.253 0.000 1.005 234 S CA 0.992 59.183 58.200 -0.015 0.000 0.949 234 S CB -0.803 62.471 63.200 0.123 0.000 0.774 234 S HN 0.942 nan 8.310 nan 0.000 0.510 235 G N 0.612 109.028 108.800 -0.640 0.000 2.198 235 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 235 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 235 G C 0.671 175.140 174.900 -0.718 0.000 1.025 235 G CA 0.785 44.989 45.100 -1.494 0.000 0.769 235 G HN 1.499 nan 8.290 nan 0.000 0.507 236 V N -3.847 115.846 119.914 -0.368 0.000 3.125 236 V HA 0.746 4.866 4.120 -0.000 0.000 0.249 236 V C 1.379 177.317 176.094 -0.260 0.000 1.113 236 V CA 1.417 63.564 62.300 -0.255 0.000 1.106 236 V CB 0.082 31.800 31.823 -0.175 0.000 0.768 236 V HN 1.642 nan 8.190 nan 0.000 0.468 237 A N -0.226 122.461 122.820 -0.222 0.000 2.295 237 A HA 0.704 5.024 4.320 -0.000 0.000 0.318 237 A C 0.271 177.730 177.584 -0.209 0.000 1.134 237 A CA -0.216 51.755 52.037 -0.110 0.000 0.827 237 A CB 0.617 19.606 19.000 -0.017 0.000 1.136 237 A HN 0.573 nan 8.150 nan 0.000 0.493 238 H N -0.972 118.154 119.070 0.092 0.000 2.648 238 H HA 0.270 4.826 4.556 -0.000 0.000 0.265 238 H C -0.226 175.162 175.328 0.099 0.000 0.961 238 H CA 1.135 57.280 56.048 0.161 0.000 1.185 238 H CB 0.320 30.315 29.762 0.387 0.000 1.449 238 H HN 0.804 nan 8.280 nan 0.000 0.523 239 H N -0.205 118.835 119.070 -0.050 0.000 3.121 239 H HA 0.318 4.874 4.556 -0.000 0.000 0.337 239 H C -1.644 173.547 175.328 -0.229 0.000 1.198 239 H CA -0.879 54.991 56.048 -0.297 0.000 1.274 239 H CB 1.028 30.241 29.762 -0.915 0.000 1.954 239 H HN 0.072 nan 8.280 nan 0.000 0.531 240 M N 4.576 123.617 119.600 -0.931 0.000 2.085 240 M HA 0.733 5.213 4.480 -0.000 0.000 0.309 240 M C -1.308 174.532 176.300 -0.767 0.000 0.947 240 M CA -0.653 54.286 55.300 -0.603 0.000 0.918 240 M CB 0.794 33.196 32.600 -0.329 0.000 1.504 240 M HN 0.721 nan 8.290 nan 0.000 0.420 241 A N 3.167 125.725 122.820 -0.435 0.000 2.293 241 A HA 0.664 4.984 4.320 -0.000 0.000 0.302 241 A C 0.993 178.516 177.584 -0.101 0.000 1.119 241 A CA -0.189 51.750 52.037 -0.164 0.000 0.823 241 A CB 0.774 19.796 19.000 0.036 0.000 1.097 241 A HN 1.060 nan 8.150 nan 0.000 0.491 242 G N 0.016 108.792 108.800 -0.041 0.000 2.484 242 G HA2 0.257 4.217 3.960 -0.000 0.000 0.218 242 G HA3 0.257 4.217 3.960 -0.000 0.000 0.218 242 G C 0.161 175.049 174.900 -0.020 0.000 1.130 242 G CA 1.230 46.311 45.100 -0.032 0.000 0.784 242 G HN 0.997 nan 8.290 nan 0.000 0.543 243 D N -3.336 117.062 120.400 -0.004 0.000 2.665 243 D HA 0.243 4.883 4.640 -0.000 0.000 0.287 243 D C 0.574 176.881 176.300 0.012 0.000 1.266 243 D CA -0.738 53.262 54.000 -0.001 0.000 0.830 243 D CB 0.362 41.164 40.800 0.003 0.000 1.356 243 D HN -0.048 nan 8.370 nan 0.000 0.437 244 E N -0.297 119.908 120.200 0.008 0.000 2.106 244 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 244 E C 1.488 178.103 176.600 0.025 0.000 0.984 244 E CA 0.738 57.147 56.400 0.014 0.000 0.806 244 E CB 0.034 29.738 29.700 0.006 0.000 0.750 244 E HN 0.423 nan 8.360 nan 0.000 0.458 245 K N 1.022 121.434 120.400 0.021 0.000 2.032 245 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 245 K C 1.561 178.190 176.600 0.049 0.000 1.048 245 K CA 1.879 58.181 56.287 0.024 0.000 0.927 245 K CB 0.055 32.563 32.500 0.015 0.000 0.712 245 K HN -0.041 nan 8.250 nan 0.000 0.441 246 D N 0.209 120.649 120.400 0.066 0.000 2.144 246 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 246 D C 1.735 178.132 176.300 0.162 0.000 0.984 246 D CA 1.269 55.336 54.000 0.112 0.000 0.834 246 D CB -0.242 40.630 40.800 0.119 0.000 0.955 246 D HN 0.359 nan 8.370 nan 0.000 0.465 247 A N 0.477 123.376 122.820 0.132 0.000 1.908 247 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 247 A C 2.482 180.161 177.584 0.159 0.000 1.181 247 A CA 1.351 53.483 52.037 0.158 0.000 0.627 247 A CB -0.782 18.270 19.000 0.088 0.000 0.818 247 A HN 0.159 nan 8.150 nan 0.000 0.445 248 V N 0.051 120.020 119.914 0.092 0.000 2.427 248 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 248 V C 2.598 178.728 176.094 0.061 0.000 1.051 248 V CA 2.355 64.689 62.300 0.057 0.000 1.048 248 V CB -0.685 31.147 31.823 0.015 0.000 0.666 248 V HN 0.723 nan 8.190 nan 0.000 0.456 249 E N -0.184 120.062 120.200 0.077 0.000 2.110 249 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 249 E C 2.021 178.663 176.600 0.071 0.000 0.988 249 E CA 1.591 58.023 56.400 0.053 0.000 0.804 249 E CB -0.512 29.228 29.700 0.066 0.000 0.745 249 E HN 0.663 nan 8.360 nan 0.000 0.458 250 Y N 0.414 120.741 120.300 0.044 0.000 2.145 250 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 250 Y C 2.258 178.199 175.900 0.068 0.000 1.145 250 Y CA 2.204 60.358 58.100 0.090 0.000 1.148 250 Y CB -0.341 38.117 38.460 -0.003 0.000 0.981 250 Y HN 0.095 nan 8.280 nan 0.000 0.507 251 V N -1.459 118.567 119.914 0.187 0.000 2.490 251 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 251 V C 1.997 178.044 176.094 -0.079 0.000 1.061 251 V CA 2.111 64.455 62.300 0.073 0.000 1.064 251 V CB -0.716 31.157 31.823 0.084 0.000 0.670 251 V HN 0.307 nan 8.190 nan 0.000 0.461 252 K N -0.463 119.881 120.400 -0.095 0.000 2.097 252 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 252 K C 2.478 178.907 176.600 -0.284 0.000 1.050 252 K CA 1.544 57.739 56.287 -0.154 0.000 0.938 252 K CB -0.266 32.165 32.500 -0.115 0.000 0.718 252 K HN 0.467 nan 8.250 nan 0.000 0.442 253 Q N 0.749 120.314 119.800 -0.392 0.000 2.050 253 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 253 Q C 2.227 177.770 176.000 -0.762 0.000 0.980 253 Q CA 1.041 56.421 55.803 -0.705 0.000 0.840 253 Q CB -0.346 27.754 28.738 -1.064 0.000 0.898 253 Q HN 0.181 nan 8.270 nan 0.000 0.424 254 L N 0.687 121.546 121.223 -0.606 0.000 1.990 254 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 254 L C 2.326 178.973 176.870 -0.371 0.000 1.072 254 L CA 1.570 56.164 54.840 -0.410 0.000 0.755 254 L CB -0.940 40.955 42.059 -0.274 0.000 0.889 254 L HN 0.180 nan 8.230 nan 0.000 0.432 255 L N -0.965 120.081 121.223 -0.295 0.000 2.079 255 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 255 L C 2.579 179.266 176.870 -0.306 0.000 1.081 255 L CA 1.470 56.158 54.840 -0.253 0.000 0.752 255 L CB -0.809 41.145 42.059 -0.176 0.000 0.896 255 L HN 0.483 nan 8.230 nan 0.000 0.433 256 S N -1.204 114.261 115.700 -0.393 0.000 2.469 256 S HA -0.196 4.274 4.470 -0.000 0.000 0.238 256 S C 1.611 175.877 174.600 -0.557 0.000 0.998 256 S CA 0.948 58.875 58.200 -0.456 0.000 0.957 256 S CB -0.510 62.358 63.200 -0.553 0.000 0.764 256 S HN 0.449 nan 8.310 nan 0.000 0.514 257 Y N 0.972 121.004 120.300 -0.446 0.000 2.478 257 Y HA 0.526 5.076 4.550 -0.000 0.000 0.261 257 Y C 0.755 176.375 175.900 -0.466 0.000 1.127 257 Y CA -0.492 57.304 58.100 -0.507 0.000 1.288 257 Y CB 0.172 38.087 38.460 -0.909 0.000 1.084 257 Y HN 0.206 nan 8.280 nan 0.000 0.530 258 L N 1.767 122.813 121.223 -0.295 0.000 2.330 258 L HA 0.456 4.796 4.340 -0.000 0.000 0.271 258 L C -2.235 174.519 176.870 -0.194 0.000 1.013 258 L CA -2.282 52.409 54.840 -0.248 0.000 0.816 258 L CB 1.805 43.659 42.059 -0.341 0.000 1.287 258 L HN -0.236 nan 8.230 nan 0.000 0.435 259 P HA 0.155 nan 4.420 nan 0.000 0.279 259 P C -0.079 177.157 177.300 -0.106 0.000 1.282 259 P CA -0.418 62.632 63.100 -0.083 0.000 0.788 259 P CB 0.911 32.616 31.700 0.008 0.000 1.139 260 S N -0.726 114.938 115.700 -0.060 0.000 2.436 260 S HA -0.031 4.439 4.470 -0.000 0.000 0.228 260 S C 0.786 175.382 174.600 -0.006 0.000 1.014 260 S CA 0.927 59.099 58.200 -0.047 0.000 0.950 260 S CB -0.679 62.503 63.200 -0.031 0.000 0.784 260 S HN 0.738 nan 8.310 nan 0.000 0.504 261 N N -0.238 118.493 118.700 0.050 0.000 3.046 261 N HA 0.161 4.901 4.740 -0.000 0.000 0.243 261 N C -0.495 175.148 175.510 0.221 0.000 1.452 261 N CA -0.674 52.465 53.050 0.148 0.000 0.882 261 N CB 0.061 38.599 38.487 0.085 0.000 1.425 261 N HN -0.097 nan 8.380 nan 0.000 0.517 262 N N -0.226 118.623 118.700 0.248 0.000 2.609 262 N HA -0.062 4.678 4.740 -0.000 0.000 0.190 262 N C 0.201 175.754 175.510 0.071 0.000 1.157 262 N CA 0.704 53.846 53.050 0.154 0.000 0.918 262 N CB -0.153 38.328 38.487 -0.009 0.000 0.978 262 N HN 0.534 nan 8.380 nan 0.000 0.448 263 L N -0.481 120.777 121.223 0.059 0.000 2.558 263 L HA 0.269 4.609 4.340 -0.000 0.000 0.225 263 L C 0.126 177.010 176.870 0.024 0.000 1.128 263 L CA 0.332 55.189 54.840 0.027 0.000 0.868 263 L CB -1.106 40.961 42.059 0.014 0.000 1.006 263 L HN 0.053 nan 8.230 nan 0.000 0.454 264 S N -0.963 114.759 115.700 0.036 0.000 2.600 264 S HA 0.434 4.904 4.470 -0.000 0.000 0.300 264 S C -0.051 174.565 174.600 0.027 0.000 1.087 264 S CA -0.785 57.426 58.200 0.018 0.000 0.965 264 S CB 2.413 65.613 63.200 -0.001 0.000 1.089 264 S HN 0.094 nan 8.310 nan 0.000 0.496 265 E N 2.404 122.609 120.200 0.008 0.000 2.374 265 E HA 0.212 4.562 4.350 -0.000 0.000 0.260 265 E C -2.219 174.376 176.600 -0.007 0.000 1.101 265 E CA -1.743 54.663 56.400 0.011 0.000 0.907 265 E CB 0.023 29.722 29.700 -0.001 0.000 1.014 265 E HN 0.317 nan 8.360 nan 0.000 0.427 266 P HA 0.013 nan 4.420 nan 0.000 0.268 266 P C -2.460 174.782 177.300 -0.096 0.000 1.208 266 P CA -0.991 62.090 63.100 -0.032 0.000 0.777 266 P CB -0.379 31.327 31.700 0.011 0.000 0.875 267 P HA 0.130 nan 4.420 nan 0.000 0.264 267 P C -0.772 176.320 177.300 -0.347 0.000 1.193 267 P CA 0.408 63.344 63.100 -0.275 0.000 0.763 267 P CB 0.345 31.870 31.700 -0.292 0.000 0.810 268 A N 3.206 125.752 122.820 -0.457 0.000 2.454 268 A HA 0.733 5.053 4.320 -0.000 0.000 0.302 268 A C -1.312 175.902 177.584 -0.617 0.000 1.079 268 A CA -0.537 51.261 52.037 -0.399 0.000 0.731 268 A CB 1.085 19.991 19.000 -0.157 0.000 1.299 268 A HN 0.331 nan 8.150 nan 0.000 0.413 269 F N 2.023 121.965 119.950 -0.014 0.000 2.622 269 F HA 0.306 4.833 4.527 -0.000 0.000 0.338 269 F C -2.073 173.727 175.800 0.001 0.000 1.334 269 F CA -2.273 55.719 58.000 -0.014 0.000 1.179 269 F CB 1.060 40.044 39.000 -0.027 0.000 1.471 269 F HN 0.298 nan 8.300 nan 0.000 0.576 270 P HA -0.000 nan 4.420 nan 0.000 0.261 270 P C -0.671 176.680 177.300 0.085 0.000 1.173 270 P CA 0.489 63.637 63.100 0.080 0.000 0.760 270 P CB 0.719 32.446 31.700 0.045 0.000 0.783 271 E N 0.770 121.014 120.200 0.073 0.000 2.343 271 E HA 0.278 4.628 4.350 -0.000 0.000 0.288 271 E C -1.012 175.619 176.600 0.052 0.000 0.907 271 E CA -0.983 55.453 56.400 0.060 0.000 0.792 271 E CB 1.196 30.933 29.700 0.062 0.000 1.275 271 E HN 0.370 nan 8.360 nan 0.000 0.402 272 E N 2.439 122.664 120.200 0.041 0.000 2.376 272 E HA 0.313 4.663 4.350 -0.000 0.000 0.266 272 E C -0.687 175.936 176.600 0.037 0.000 1.009 272 E CA -0.112 56.310 56.400 0.037 0.000 0.902 272 E CB 0.730 30.447 29.700 0.028 0.000 0.972 272 E HN 0.583 nan 8.360 nan 0.000 0.439 273 A N 4.405 127.249 122.820 0.041 0.000 2.293 273 A HA 0.150 4.470 4.320 -0.000 0.000 0.302 273 A C -0.239 177.365 177.584 0.034 0.000 1.119 273 A CA -0.639 51.423 52.037 0.042 0.000 0.823 273 A CB 0.926 19.957 19.000 0.052 0.000 1.097 273 A HN 0.758 nan 8.150 nan 0.000 0.491 274 D N 1.790 122.209 120.400 0.032 0.000 2.336 274 D HA 0.211 4.851 4.640 -0.000 0.000 0.249 274 D C 0.357 176.674 176.300 0.029 0.000 1.213 274 D CA -0.014 54.001 54.000 0.026 0.000 0.870 274 D CB 0.671 41.486 40.800 0.023 0.000 1.076 274 D HN 0.452 nan 8.370 nan 0.000 0.483 275 L N 2.764 124.001 121.223 0.023 0.000 2.627 275 L HA 0.188 4.528 4.340 -0.000 0.000 0.232 275 L C 1.141 178.022 176.870 0.019 0.000 1.150 275 L CA -0.287 54.566 54.840 0.022 0.000 0.917 275 L CB -0.191 41.874 42.059 0.010 0.000 1.104 275 L HN 0.316 nan 8.230 nan 0.000 0.445 276 A N 0.687 123.518 122.820 0.018 0.000 2.425 276 A HA 0.358 4.678 4.320 -0.000 0.000 0.249 276 A C 0.444 178.041 177.584 0.022 0.000 1.084 276 A CA -0.426 51.621 52.037 0.016 0.000 0.781 276 A CB 0.386 19.394 19.000 0.014 0.000 1.019 276 A HN 0.107 nan 8.150 nan 0.000 0.490 277 V N 2.371 122.296 119.914 0.019 0.000 2.434 277 V HA 0.381 4.501 4.120 -0.000 0.000 0.281 277 V C 0.711 176.819 176.094 0.023 0.000 1.005 277 V CA 0.122 62.435 62.300 0.022 0.000 1.089 277 V CB -1.199 30.631 31.823 0.012 0.000 0.978 277 V HN 1.017 nan 8.190 nan 0.000 0.474 278 T N 0.911 115.484 114.554 0.033 0.000 2.824 278 T HA 0.283 4.633 4.350 -0.000 0.000 0.277 278 T C 0.733 175.454 174.700 0.036 0.000 0.975 278 T CA -0.178 61.941 62.100 0.033 0.000 0.966 278 T CB 1.290 70.180 68.868 0.037 0.000 1.054 278 T HN 0.598 nan 8.240 nan 0.000 0.533 279 D N 0.377 120.796 120.400 0.033 0.000 2.178 279 D HA -0.081 4.559 4.640 -0.000 0.000 0.201 279 D C 1.880 178.217 176.300 0.061 0.000 0.980 279 D CA 1.211 55.232 54.000 0.035 0.000 0.842 279 D CB -0.042 40.775 40.800 0.028 0.000 0.948 279 D HN 0.629 nan 8.370 nan 0.000 0.472 280 E N 1.003 121.249 120.200 0.078 0.000 2.031 280 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 280 E C 1.699 178.445 176.600 0.242 0.000 0.994 280 E CA 0.868 57.356 56.400 0.147 0.000 0.800 280 E CB -0.244 29.488 29.700 0.054 0.000 0.752 280 E HN 0.228 nan 8.360 nan 0.000 0.447 281 D N 0.268 120.765 120.400 0.162 0.000 2.133 281 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 281 D C 1.783 178.102 176.300 0.031 0.000 0.997 281 D CA 1.568 55.643 54.000 0.125 0.000 0.840 281 D CB -0.365 40.481 40.800 0.077 0.000 0.947 281 D HN 0.223 nan 8.370 nan 0.000 0.452 282 A N 1.059 123.889 122.820 0.017 0.000 1.972 282 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 282 A C 2.014 179.562 177.584 -0.059 0.000 1.169 282 A CA 1.368 53.386 52.037 -0.030 0.000 0.635 282 A CB -0.544 18.448 19.000 -0.014 0.000 0.810 282 A HN 0.242 nan 8.150 nan 0.000 0.446 283 E N -0.681 119.505 120.200 -0.023 0.000 2.209 283 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 283 E C 1.530 178.026 176.600 -0.173 0.000 0.993 283 E CA 0.880 57.246 56.400 -0.056 0.000 0.819 283 E CB -0.225 29.498 29.700 0.039 0.000 0.745 283 E HN 0.451 nan 8.360 nan 0.000 0.477 284 L N 1.264 122.343 121.223 -0.241 0.000 2.201 284 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 284 L C 1.561 178.186 176.870 -0.408 0.000 1.105 284 L CA 1.521 56.159 54.840 -0.336 0.000 0.775 284 L CB -0.291 41.568 42.059 -0.333 0.000 0.913 284 L HN 0.033 nan 8.230 nan 0.000 0.440 285 D N -1.232 118.978 120.400 -0.317 0.000 2.264 285 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 285 D C 1.624 177.797 176.300 -0.213 0.000 0.966 285 D CA 1.629 55.450 54.000 -0.297 0.000 0.864 285 D CB 0.103 40.782 40.800 -0.201 0.000 0.933 285 D HN 0.453 nan 8.370 nan 0.000 0.499 286 T N -2.522 111.932 114.554 -0.166 0.000 3.145 286 T HA 0.223 4.573 4.350 -0.000 0.000 0.281 286 T C 1.632 176.270 174.700 -0.104 0.000 1.003 286 T CA -0.381 61.653 62.100 -0.111 0.000 0.901 286 T CB -0.171 68.654 68.868 -0.071 0.000 1.112 286 T HN 0.050 nan 8.240 nan 0.000 0.535 287 I N 1.499 121.983 120.570 -0.143 0.000 2.546 287 I HA 0.136 4.306 4.170 -0.000 0.000 0.255 287 I C -0.060 175.944 176.117 -0.189 0.000 1.163 287 I CA 0.589 61.813 61.300 -0.127 0.000 1.457 287 I CB 0.329 38.251 38.000 -0.130 0.000 1.092 287 I HN 0.057 nan 8.210 nan 0.000 0.434 288 V N 4.830 124.613 119.914 -0.217 0.000 2.408 288 V HA 0.218 4.338 4.120 -0.000 0.000 0.267 288 V C -1.828 174.217 176.094 -0.082 0.000 1.047 288 V CA -1.347 60.803 62.300 -0.251 0.000 0.937 288 V CB 0.206 31.938 31.823 -0.151 0.000 0.999 288 V HN 0.233 nan 8.190 nan 0.000 0.472 289 P HA 0.175 nan 4.420 nan 0.000 0.272 289 P C 0.144 177.465 177.300 0.034 0.000 1.230 289 P CA -0.289 62.828 63.100 0.029 0.000 0.788 289 P CB 1.184 32.928 31.700 0.073 0.000 0.949 290 D N -0.426 119.992 120.400 0.030 0.000 2.104 290 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 290 D C 0.936 177.265 176.300 0.048 0.000 0.994 290 D CA 1.419 55.439 54.000 0.033 0.000 0.830 290 D CB -0.419 40.396 40.800 0.026 0.000 0.959 290 D HN 0.312 nan 8.370 nan 0.000 0.452 291 S N -0.548 115.184 115.700 0.052 0.000 2.505 291 S HA 0.381 4.851 4.470 -0.000 0.000 0.276 291 S C 0.962 175.610 174.600 0.080 0.000 1.274 291 S CA -0.218 58.017 58.200 0.059 0.000 1.053 291 S CB 1.303 64.533 63.200 0.049 0.000 0.919 291 S HN 0.164 nan 8.310 nan 0.000 0.490 292 A N 5.081 127.952 122.820 0.086 0.000 2.239 292 A HA 0.015 4.335 4.320 -0.000 0.000 0.209 292 A C 1.684 179.327 177.584 0.098 0.000 1.171 292 A CA 0.702 52.806 52.037 0.110 0.000 0.768 292 A CB -0.346 18.726 19.000 0.120 0.000 0.790 292 A HN 0.879 nan 8.150 nan 0.000 0.478 293 N N -0.103 118.640 118.700 0.072 0.000 2.405 293 N HA -0.009 4.731 4.740 -0.000 0.000 0.175 293 N C 0.186 175.729 175.510 0.055 0.000 1.051 293 N CA 0.247 53.328 53.050 0.052 0.000 0.899 293 N CB 0.014 38.520 38.487 0.032 0.000 1.000 293 N HN 0.619 nan 8.380 nan 0.000 0.451 294 Q N 1.602 121.446 119.800 0.073 0.000 2.304 294 Q HA 0.281 4.621 4.340 -0.000 0.000 0.260 294 Q C -2.202 173.871 176.000 0.121 0.000 0.965 294 Q CA -1.456 54.395 55.803 0.079 0.000 0.898 294 Q CB 0.855 29.640 28.738 0.079 0.000 1.196 294 Q HN 0.117 nan 8.270 nan 0.000 0.402 295 P HA 0.193 nan 4.420 nan 0.000 0.279 295 P C -1.533 175.863 177.300 0.160 0.000 1.276 295 P CA -0.320 62.812 63.100 0.053 0.000 0.801 295 P CB 0.482 32.165 31.700 -0.029 0.000 1.127 296 Y N -3.346 116.973 120.300 0.032 0.000 2.624 296 Y HA 0.530 5.080 4.550 0.000 0.000 0.334 296 Y C -1.301 174.622 175.900 0.038 0.000 1.155 296 Y CA -1.477 56.646 58.100 0.037 0.000 1.046 296 Y CB 0.383 38.870 38.460 0.046 0.000 1.316 296 Y HN 0.078 nan 8.280 nan 0.000 0.457 297 D N 2.643 123.131 120.400 0.147 0.000 2.352 297 D HA 0.093 4.733 4.640 -0.000 0.000 0.245 297 D C 0.723 177.094 176.300 0.119 0.000 1.224 297 D CA -0.103 53.952 54.000 0.091 0.000 0.879 297 D CB 1.414 42.303 40.800 0.148 0.000 1.057 297 D HN 0.788 nan 8.370 nan 0.000 0.491 298 M N 4.336 123.898 119.600 -0.063 0.000 2.358 298 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 298 M C 1.412 177.623 176.300 -0.149 0.000 1.064 298 M CA 1.467 56.709 55.300 -0.097 0.000 1.093 298 M CB -0.270 32.190 32.600 -0.234 0.000 1.401 298 M HN 0.465 nan 8.290 nan 0.000 0.440 299 H N -1.005 118.029 119.070 -0.060 0.000 2.390 299 H HA -0.100 4.456 4.556 -0.000 0.000 0.298 299 H C 2.068 177.381 175.328 -0.026 0.000 1.106 299 H CA 1.982 58.003 56.048 -0.046 0.000 1.297 299 H CB -0.330 29.467 29.762 0.058 0.000 1.375 299 H HN 0.435 nan 8.280 nan 0.000 0.509 300 S N 0.064 115.869 115.700 0.175 0.000 2.368 300 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 300 S C 2.596 177.316 174.600 0.199 0.000 1.030 300 S CA 1.048 59.380 58.200 0.221 0.000 0.999 300 S CB -0.371 62.948 63.200 0.199 0.000 0.844 300 S HN 0.123 nan 8.310 nan 0.000 0.459 301 V N 2.345 122.272 119.914 0.023 0.000 2.255 301 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 301 V C 2.113 178.060 176.094 -0.245 0.000 1.051 301 V CA 1.708 63.965 62.300 -0.071 0.000 1.018 301 V CB -0.768 30.968 31.823 -0.146 0.000 0.641 301 V HN 0.431 nan 8.190 nan 0.000 0.445 302 I N -0.087 120.170 120.570 -0.523 0.000 2.127 302 I HA -0.271 3.899 4.170 -0.000 0.000 0.241 302 I C 2.600 178.585 176.117 -0.221 0.000 1.075 302 I CA 1.849 62.759 61.300 -0.650 0.000 1.334 302 I CB -0.496 36.976 38.000 -0.879 0.000 1.040 302 I HN 0.378 nan 8.210 nan 0.000 0.405 303 E N -0.265 119.894 120.200 -0.068 0.000 2.204 303 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 303 E C 1.953 178.582 176.600 0.049 0.000 0.990 303 E CA 1.142 57.570 56.400 0.047 0.000 0.821 303 E CB -0.194 29.561 29.700 0.092 0.000 0.750 303 E HN 0.594 nan 8.360 nan 0.000 0.477 304 H N -0.814 118.270 119.070 0.023 0.000 2.524 304 H HA -0.059 4.497 4.556 -0.000 0.000 0.282 304 H C 1.988 177.371 175.328 0.091 0.000 1.016 304 H CA 1.250 57.335 56.048 0.062 0.000 1.270 304 H CB 0.290 30.096 29.762 0.073 0.000 1.394 304 H HN 0.132 nan 8.280 nan 0.000 0.568 305 V N -2.402 117.631 119.914 0.197 0.000 3.565 305 V HA 0.220 4.340 4.120 -0.000 0.000 0.260 305 V C 0.647 176.842 176.094 0.169 0.000 1.231 305 V CA 0.001 62.425 62.300 0.207 0.000 1.100 305 V CB -0.143 31.858 31.823 0.296 0.000 0.807 305 V HN 0.030 nan 8.190 nan 0.000 0.454 306 L N 1.502 122.809 121.223 0.140 0.000 2.379 306 L HA 0.497 4.837 4.340 -0.000 0.000 0.269 306 L C -0.161 176.788 176.870 0.131 0.000 1.084 306 L CA -0.703 54.228 54.840 0.152 0.000 0.802 306 L CB 0.525 42.687 42.059 0.171 0.000 1.175 306 L HN 0.092 nan 8.230 nan 0.000 0.448 307 D N 1.876 122.361 120.400 0.142 0.000 2.488 307 D HA -0.035 4.604 4.640 -0.000 0.000 0.238 307 D C 0.334 176.698 176.300 0.107 0.000 1.138 307 D CA 0.513 54.583 54.000 0.116 0.000 0.873 307 D CB 0.422 41.296 40.800 0.123 0.000 1.183 307 D HN 0.510 nan 8.370 nan 0.000 0.458 308 D N 1.522 121.966 120.400 0.074 0.000 2.983 308 D HA -0.280 4.360 4.640 -0.000 0.000 0.225 308 D C 0.565 176.903 176.300 0.064 0.000 1.174 308 D CA 1.064 55.099 54.000 0.059 0.000 0.831 308 D CB -1.281 39.557 40.800 0.064 0.000 1.104 308 D HN 0.708 nan 8.370 nan 0.000 0.421 309 A N -0.562 122.295 122.820 0.062 0.000 2.771 309 A HA -0.297 4.023 4.320 -0.000 0.000 0.294 309 A C 0.415 178.075 177.584 0.127 0.000 1.500 309 A CA 1.965 54.037 52.037 0.058 0.000 0.829 309 A CB -1.411 17.581 19.000 -0.014 0.000 0.998 309 A HN 0.388 nan 8.150 nan 0.000 0.526 310 E N -0.770 119.532 120.200 0.169 0.000 2.130 310 E HA 0.627 4.977 4.350 -0.000 0.000 0.284 310 E C -0.705 176.104 176.600 0.348 0.000 1.018 310 E CA -0.368 56.169 56.400 0.228 0.000 0.817 310 E CB 0.292 30.117 29.700 0.209 0.000 1.078 310 E HN 0.592 nan 8.360 nan 0.000 0.396 311 F N 6.262 126.308 119.950 0.160 0.000 2.499 311 F HA 0.395 4.922 4.527 -0.000 0.000 0.333 311 F C -1.794 174.121 175.800 0.191 0.000 1.138 311 F CA -1.687 56.406 58.000 0.156 0.000 0.945 311 F CB 0.574 39.646 39.000 0.120 0.000 1.181 311 F HN 0.386 nan 8.300 nan 0.000 0.435 312 F N 6.607 126.393 119.950 -0.275 0.000 2.377 312 F HA 0.327 4.854 4.527 -0.000 0.000 0.360 312 F C 0.241 175.617 175.800 -0.706 0.000 1.147 312 F CA -0.387 57.395 58.000 -0.364 0.000 1.170 312 F CB 0.057 38.956 39.000 -0.167 0.000 1.339 312 F HN 0.598 nan 8.300 nan 0.000 0.552 313 E N 3.655 123.177 120.200 -1.131 0.000 2.313 313 E HA 0.298 4.648 4.350 -0.000 0.000 0.276 313 E C -0.502 175.755 176.600 -0.573 0.000 1.031 313 E CA -0.407 55.412 56.400 -0.968 0.000 0.857 313 E CB 0.877 30.176 29.700 -0.668 0.000 1.040 313 E HN 0.606 nan 8.360 nan 0.000 0.408 314 T N 1.269 115.604 114.554 -0.366 0.000 2.888 314 T HA 0.229 4.579 4.350 -0.000 0.000 0.284 314 T C -0.117 174.583 174.700 -0.001 0.000 1.017 314 T CA -0.783 61.270 62.100 -0.077 0.000 1.022 314 T CB 1.408 70.314 68.868 0.064 0.000 1.013 314 T HN 0.667 nan 8.240 nan 0.000 0.465 315 Q N -0.070 119.799 119.800 0.116 0.000 2.435 315 Q HA -0.136 4.204 4.340 -0.000 0.000 0.312 315 Q C -1.848 174.204 176.000 0.085 0.000 1.333 315 Q CA 0.306 56.173 55.803 0.107 0.000 0.883 315 Q CB -1.633 27.189 28.738 0.139 0.000 1.170 315 Q HN 0.631 nan 8.270 nan 0.000 0.443 316 P HA -0.167 nan 4.420 nan 0.000 0.218 316 P C 0.985 178.326 177.300 0.067 0.000 1.148 316 P CA 1.070 64.201 63.100 0.052 0.000 0.822 316 P CB 0.149 31.869 31.700 0.033 0.000 0.784 317 L N -3.598 117.669 121.223 0.072 0.000 2.558 317 L HA 0.141 4.481 4.340 -0.000 0.000 0.225 317 L C 0.787 177.744 176.870 0.145 0.000 1.128 317 L CA -0.122 54.765 54.840 0.079 0.000 0.868 317 L CB -0.292 41.794 42.059 0.046 0.000 1.006 317 L HN -0.054 nan 8.230 nan 0.000 0.454 318 F N 1.148 121.086 119.950 -0.020 0.000 2.436 318 F HA 0.596 5.123 4.527 -0.000 0.000 0.340 318 F C 0.753 176.534 175.800 -0.031 0.000 1.113 318 F CA -1.105 56.878 58.000 -0.028 0.000 1.022 318 F CB 1.085 40.060 39.000 -0.042 0.000 1.128 318 F HN -0.003 nan 8.300 nan 0.000 0.466 319 A N 5.816 128.216 122.820 -0.699 0.000 2.362 319 A HA -0.190 4.130 4.320 -0.000 0.000 0.290 319 A C -2.104 175.340 177.584 -0.233 0.000 1.441 319 A CA 0.395 52.091 52.037 -0.569 0.000 0.743 319 A CB -1.879 16.723 19.000 -0.662 0.000 1.125 319 A HN 0.664 nan 8.150 nan 0.000 0.378 320 P HA -0.173 nan 4.420 nan 0.000 0.223 320 P C 1.355 178.663 177.300 0.013 0.000 1.144 320 P CA 1.374 64.480 63.100 0.009 0.000 0.783 320 P CB -0.101 31.654 31.700 0.091 0.000 0.771 321 N N -0.618 118.060 118.700 -0.037 0.000 2.520 321 N HA -0.079 4.661 4.740 -0.000 0.000 0.185 321 N C 0.504 175.974 175.510 -0.067 0.000 1.068 321 N CA 0.637 53.675 53.050 -0.021 0.000 0.911 321 N CB -0.138 38.290 38.487 -0.098 0.000 0.961 321 N HN 0.252 nan 8.380 nan 0.000 0.446 322 I N 0.080 120.602 120.570 -0.080 0.000 2.686 322 I HA 0.352 4.522 4.170 -0.000 0.000 0.295 322 I C -1.463 174.620 176.117 -0.056 0.000 1.114 322 I CA -0.998 60.260 61.300 -0.069 0.000 1.038 322 I CB 2.059 40.021 38.000 -0.062 0.000 1.238 322 I HN -0.180 nan 8.210 nan 0.000 0.420 323 L N 5.846 127.032 121.223 -0.062 0.000 2.329 323 L HA 0.675 5.015 4.340 -0.000 0.000 0.279 323 L C -0.455 176.390 176.870 -0.043 0.000 1.014 323 L CA -0.519 54.294 54.840 -0.045 0.000 0.814 323 L CB 1.899 43.889 42.059 -0.115 0.000 1.257 323 L HN 0.588 nan 8.230 nan 0.000 0.424 324 T N -0.766 113.721 114.554 -0.111 0.000 2.900 324 T HA 0.928 5.278 4.350 -0.000 0.000 0.295 324 T C -0.242 174.142 174.700 -0.526 0.000 1.044 324 T CA -0.492 61.330 62.100 -0.463 0.000 0.995 324 T CB 2.434 70.817 68.868 -0.809 0.000 1.072 324 T HN 0.970 nan 8.240 nan 0.000 0.473 325 G N 0.797 109.178 108.800 -0.699 0.000 2.321 325 G HA2 0.505 4.465 3.960 -0.000 0.000 0.296 325 G HA3 0.505 4.465 3.960 -0.000 0.000 0.296 325 G C -2.258 172.536 174.900 -0.177 0.000 1.287 325 G CA -0.920 43.897 45.100 -0.471 0.000 0.846 325 G HN 0.630 nan 8.290 nan 0.000 0.508 326 F N -0.293 119.709 119.950 0.087 0.000 2.579 326 F HA 0.903 5.430 4.527 -0.000 0.000 0.324 326 F C 0.881 176.599 175.800 -0.137 0.000 1.058 326 F CA 0.341 58.259 58.000 -0.137 0.000 0.944 326 F CB 2.480 40.961 39.000 -0.866 0.000 1.245 326 F HN 0.966 nan 8.300 nan 0.000 0.477 327 G N 0.645 109.532 108.800 0.145 0.000 2.548 327 G HA2 0.675 4.635 3.960 -0.000 0.000 0.301 327 G HA3 0.675 4.635 3.960 -0.000 0.000 0.301 327 G C -1.907 173.221 174.900 0.379 0.000 1.349 327 G CA -1.069 44.215 45.100 0.306 0.000 0.792 327 G HN 0.489 nan 8.290 nan 0.000 0.481 328 R N -1.106 119.598 120.500 0.341 0.000 2.686 328 R HA 0.657 4.997 4.340 -0.000 0.000 0.283 328 R C -1.559 174.865 176.300 0.207 0.000 0.978 328 R CA -0.775 55.493 56.100 0.279 0.000 0.897 328 R CB 2.825 33.284 30.300 0.264 0.000 1.192 328 R HN 0.316 nan 8.270 nan 0.000 0.457 329 V N 2.403 122.422 119.914 0.176 0.000 2.407 329 V HA 0.178 4.298 4.120 -0.000 0.000 0.291 329 V C 0.256 176.422 176.094 0.119 0.000 1.018 329 V CA -0.506 61.881 62.300 0.144 0.000 0.842 329 V CB 1.226 33.132 31.823 0.140 0.000 0.996 329 V HN 0.908 nan 8.190 nan 0.000 0.426 330 E N 3.604 123.868 120.200 0.106 0.000 2.586 330 E HA -0.297 4.053 4.350 -0.000 0.000 0.259 330 E C 1.280 177.938 176.600 0.097 0.000 1.107 330 E CA 0.697 57.150 56.400 0.089 0.000 0.754 330 E CB -1.120 28.624 29.700 0.074 0.000 1.335 330 E HN 1.517 nan 8.360 nan 0.000 0.411 331 G N 0.012 108.884 108.800 0.119 0.000 2.205 331 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.261 331 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.261 331 G C 0.216 175.183 174.900 0.113 0.000 0.980 331 G CA 0.532 45.715 45.100 0.140 0.000 0.632 331 G HN 0.265 nan 8.290 nan 0.000 0.533 332 R N 0.975 121.537 120.500 0.104 0.000 2.294 332 R HA 0.452 4.792 4.340 -0.000 0.000 0.319 332 R C -2.708 173.679 176.300 0.146 0.000 0.984 332 R CA -1.953 54.199 56.100 0.087 0.000 0.861 332 R CB 1.264 31.606 30.300 0.071 0.000 1.104 332 R HN 0.078 nan 8.270 nan 0.000 0.451 333 P HA -0.050 nan 4.420 nan 0.000 0.265 333 P C -0.760 176.692 177.300 0.253 0.000 1.193 333 P CA -0.064 63.196 63.100 0.266 0.000 0.765 333 P CB 0.754 32.587 31.700 0.222 0.000 0.823 334 V N 0.521 120.624 119.914 0.315 0.000 3.114 334 V HA 0.936 5.056 4.120 -0.000 0.000 0.308 334 V C -0.147 176.175 176.094 0.381 0.000 1.168 334 V CA -0.981 61.493 62.300 0.290 0.000 1.015 334 V CB 1.943 33.904 31.823 0.230 0.000 1.050 334 V HN 0.587 nan 8.190 nan 0.000 0.433 335 G N 1.602 110.594 108.800 0.319 0.000 2.410 335 G HA2 0.741 4.701 3.960 -0.000 0.000 0.330 335 G HA3 0.741 4.701 3.960 -0.000 0.000 0.330 335 G C -1.355 173.745 174.900 0.332 0.000 1.142 335 G CA -0.717 44.576 45.100 0.322 0.000 0.902 335 G HN 0.719 nan 8.290 nan 0.000 0.491 336 I N 0.372 121.170 120.570 0.380 0.000 2.545 336 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 336 I C -0.415 175.830 176.117 0.214 0.000 1.040 336 I CA -0.783 60.679 61.300 0.270 0.000 1.068 336 I CB 2.458 40.543 38.000 0.140 0.000 1.251 336 I HN 0.191 nan 8.210 nan 0.000 0.424 337 V N 4.653 124.695 119.914 0.213 0.000 2.623 337 V HA 0.942 5.062 4.120 -0.000 0.000 0.304 337 V C -0.577 175.611 176.094 0.158 0.000 1.054 337 V CA -0.520 61.879 62.300 0.165 0.000 0.882 337 V CB 1.614 33.580 31.823 0.239 0.000 1.002 337 V HN 0.887 nan 8.190 nan 0.000 0.424 338 A N 3.941 126.805 122.820 0.073 0.000 2.566 338 A HA 0.710 5.030 4.320 -0.000 0.000 0.297 338 A C -0.821 176.747 177.584 -0.027 0.000 1.059 338 A CA -0.817 51.253 52.037 0.055 0.000 0.691 338 A CB 1.201 20.216 19.000 0.025 0.000 1.282 338 A HN 0.836 nan 8.150 nan 0.000 0.401 339 N N 0.958 119.640 118.700 -0.030 0.000 2.508 339 N HA 0.400 5.140 4.740 -0.000 0.000 0.264 339 N C -0.243 175.200 175.510 -0.112 0.000 1.216 339 N CA -0.024 52.986 53.050 -0.067 0.000 0.943 339 N CB 0.592 39.042 38.487 -0.061 0.000 1.113 339 N HN 0.611 nan 8.380 nan 0.000 0.447 340 Q N 2.589 122.321 119.800 -0.113 0.000 2.462 340 Q HA 0.354 4.694 4.340 -0.000 0.000 0.247 340 Q C -2.342 173.572 176.000 -0.143 0.000 1.044 340 Q CA -2.203 53.514 55.803 -0.144 0.000 0.803 340 Q CB 1.478 30.164 28.738 -0.087 0.000 1.190 340 Q HN 0.324 nan 8.270 nan 0.000 0.507 341 P HA -0.176 nan 4.420 nan 0.000 0.217 341 P C 0.744 177.952 177.300 -0.153 0.000 1.148 341 P CA 1.622 64.577 63.100 -0.242 0.000 0.828 341 P CB 0.137 31.531 31.700 -0.510 0.000 0.783 342 M N -2.077 117.434 119.600 -0.148 0.000 2.460 342 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 342 M C 0.310 176.579 176.300 -0.052 0.000 1.071 342 M CA 1.231 56.482 55.300 -0.080 0.000 1.096 342 M CB -0.165 32.406 32.600 -0.048 0.000 1.408 342 M HN -0.060 nan 8.290 nan 0.000 0.463 343 Q N 0.069 119.866 119.800 -0.005 0.000 2.341 343 Q HA 0.238 4.578 4.340 -0.000 0.000 0.268 343 Q C -0.553 175.591 176.000 0.239 0.000 1.013 343 Q CA -0.428 55.431 55.803 0.093 0.000 0.798 343 Q CB 1.041 29.906 28.738 0.212 0.000 1.253 343 Q HN 0.337 nan 8.270 nan 0.000 0.457 344 F N 0.892 120.806 119.950 -0.059 0.000 3.100 344 F HA -0.347 4.180 4.527 -0.000 0.000 0.283 344 F C 1.073 176.838 175.800 -0.058 0.000 0.900 344 F CA 0.831 58.797 58.000 -0.056 0.000 1.010 344 F CB -2.326 36.637 39.000 -0.062 0.000 1.029 344 F HN 0.798 nan 8.300 nan 0.000 0.637 345 A N -1.624 121.223 122.820 0.045 0.000 2.861 345 A HA 0.125 4.445 4.320 -0.000 0.000 0.261 345 A C 2.443 180.031 177.584 0.007 0.000 1.351 345 A CA 1.738 53.782 52.037 0.013 0.000 0.904 345 A CB -1.775 17.236 19.000 0.019 0.000 1.076 345 A HN 2.605 nan 8.150 nan 0.000 0.729 346 G N -3.315 105.492 108.800 0.013 0.000 2.162 346 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.260 346 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.260 346 G C 0.725 175.597 174.900 -0.047 0.000 0.976 346 G CA 0.618 45.700 45.100 -0.030 0.000 0.655 346 G HN 1.742 nan 8.290 nan 0.000 0.533 347 C N 0.547 119.833 119.300 -0.022 0.000 2.703 347 C HA 0.478 4.938 4.460 -0.000 0.000 0.411 347 C C 1.428 176.305 174.990 -0.188 0.000 1.290 347 C CA -0.214 58.751 59.018 -0.088 0.000 2.054 347 C CB -0.132 27.597 27.740 -0.018 0.000 2.732 347 C HN 0.490 nan 8.230 nan 0.000 0.650 348 L N 3.751 124.751 121.223 -0.372 0.000 2.379 348 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 348 L C 0.158 176.893 176.870 -0.225 0.000 1.084 348 L CA 0.180 54.750 54.840 -0.451 0.000 0.802 348 L CB 1.039 42.510 42.059 -0.980 0.000 1.175 348 L HN 0.815 nan 8.230 nan 0.000 0.448 349 D N 1.237 121.594 120.400 -0.071 0.000 2.759 349 D HA 0.210 4.850 4.640 -0.000 0.000 0.321 349 D C 0.830 177.170 176.300 0.067 0.000 1.267 349 D CA -0.631 53.395 54.000 0.044 0.000 0.933 349 D CB 0.842 41.572 40.800 -0.118 0.000 1.431 349 D HN 0.309 nan 8.370 nan 0.000 0.504 350 I N 0.241 120.838 120.570 0.043 0.000 2.099 350 I HA -0.296 3.874 4.170 -0.000 0.000 0.239 350 I C 2.601 178.732 176.117 0.022 0.000 1.066 350 I CA 2.602 63.930 61.300 0.047 0.000 1.324 350 I CB -0.547 37.474 38.000 0.035 0.000 1.037 350 I HN 0.668 nan 8.210 nan 0.000 0.401 351 T N -0.537 113.977 114.554 -0.066 0.000 2.720 351 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 351 T C 1.968 176.580 174.700 -0.147 0.000 1.037 351 T CA 1.173 63.188 62.100 -0.141 0.000 1.144 351 T CB -0.609 67.934 68.868 -0.543 0.000 0.864 351 T HN 0.367 nan 8.240 nan 0.000 0.444 352 A N 1.400 124.109 122.820 -0.184 0.000 1.930 352 A HA 0.043 4.363 4.320 -0.000 0.000 0.217 352 A C 2.714 180.298 177.584 0.001 0.000 1.175 352 A CA 1.805 53.771 52.037 -0.119 0.000 0.627 352 A CB -1.004 17.904 19.000 -0.153 0.000 0.815 352 A HN 0.546 nan 8.150 nan 0.000 0.443 353 S N -0.175 115.550 115.700 0.042 0.000 2.355 353 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 353 S C 1.850 176.513 174.600 0.105 0.000 1.031 353 S CA 1.546 59.808 58.200 0.103 0.000 0.993 353 S CB -0.288 63.009 63.200 0.161 0.000 0.859 353 S HN 0.717 nan 8.310 nan 0.000 0.453 354 E N 0.998 121.265 120.200 0.112 0.000 2.107 354 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 354 E C 2.111 178.803 176.600 0.152 0.000 0.982 354 E CA 0.694 57.167 56.400 0.121 0.000 0.809 354 E CB -0.089 29.691 29.700 0.132 0.000 0.756 354 E HN 0.420 nan 8.360 nan 0.000 0.459 355 K N 1.256 121.778 120.400 0.203 0.000 1.991 355 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 355 K C 2.190 178.898 176.600 0.179 0.000 1.049 355 K CA 1.468 57.894 56.287 0.231 0.000 0.932 355 K CB -0.166 32.485 32.500 0.252 0.000 0.717 355 K HN 0.071 nan 8.250 nan 0.000 0.441 356 A N 0.947 123.846 122.820 0.131 0.000 1.930 356 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 356 A C 2.339 179.990 177.584 0.111 0.000 1.175 356 A CA 1.745 53.862 52.037 0.133 0.000 0.627 356 A CB -0.803 18.255 19.000 0.096 0.000 0.815 356 A HN 0.539 nan 8.150 nan 0.000 0.443 357 A N -0.322 122.544 122.820 0.078 0.000 1.865 357 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 357 A C 2.297 179.906 177.584 0.040 0.000 1.191 357 A CA 1.799 53.856 52.037 0.033 0.000 0.623 357 A CB -0.526 18.506 19.000 0.054 0.000 0.826 357 A HN 0.492 nan 8.150 nan 0.000 0.444 358 R N -2.200 118.352 120.500 0.086 0.000 2.115 358 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 358 R C 1.931 178.295 176.300 0.106 0.000 1.100 358 R CA 1.306 57.453 56.100 0.077 0.000 0.980 358 R CB -0.326 30.028 30.300 0.090 0.000 0.875 358 R HN 0.569 nan 8.270 nan 0.000 0.445 359 F N 0.634 120.605 119.950 0.035 0.000 2.146 359 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 359 F C 1.968 177.781 175.800 0.022 0.000 1.096 359 F CA 1.174 59.207 58.000 0.056 0.000 1.275 359 F CB -0.348 38.691 39.000 0.065 0.000 1.008 359 F HN -0.261 nan 8.300 nan 0.000 0.480 360 V N 1.317 121.216 119.914 -0.026 0.000 2.287 360 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 360 V C 2.587 178.587 176.094 -0.157 0.000 1.053 360 V CA 2.217 64.415 62.300 -0.171 0.000 1.027 360 V CB -0.676 30.949 31.823 -0.330 0.000 0.646 360 V HN 0.280 nan 8.190 nan 0.000 0.447 361 R N -0.305 120.136 120.500 -0.098 0.000 2.096 361 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 361 R C 2.338 178.586 176.300 -0.086 0.000 1.127 361 R CA 1.870 57.929 56.100 -0.069 0.000 0.968 361 R CB -0.947 29.335 30.300 -0.030 0.000 0.861 361 R HN 0.530 nan 8.270 nan 0.000 0.440 362 T N 0.857 115.357 114.554 -0.090 0.000 2.674 362 T HA -0.174 4.176 4.350 -0.000 0.000 0.265 362 T C 2.174 176.912 174.700 0.063 0.000 1.039 362 T CA 1.531 63.621 62.100 -0.015 0.000 1.150 362 T CB -0.394 68.444 68.868 -0.050 0.000 0.864 362 T HN 0.334 nan 8.240 nan 0.000 0.427 363 C N 1.297 120.544 119.300 -0.089 0.000 2.413 363 C HA -0.102 4.358 4.460 -0.000 0.000 0.276 363 C C 2.660 177.672 174.990 0.036 0.000 1.248 363 C CA 0.717 59.736 59.018 0.002 0.000 1.742 363 C CB -1.117 26.535 27.740 -0.147 0.000 2.017 363 C HN 0.664 nan 8.230 nan 0.000 0.481 364 D N 0.747 121.125 120.400 -0.036 0.000 2.117 364 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 364 D C 2.154 178.407 176.300 -0.078 0.000 0.987 364 D CA 1.624 55.601 54.000 -0.037 0.000 0.829 364 D CB -0.186 40.584 40.800 -0.049 0.000 0.961 364 D HN 0.384 nan 8.370 nan 0.000 0.460 365 A N -0.738 121.978 122.820 -0.172 0.000 1.972 365 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 365 A C 1.243 178.526 177.584 -0.502 0.000 1.169 365 A CA 0.875 52.678 52.037 -0.389 0.000 0.635 365 A CB -0.631 18.012 19.000 -0.594 0.000 0.810 365 A HN 0.332 nan 8.150 nan 0.000 0.446 366 F N 0.245 120.205 119.950 0.016 0.000 2.837 366 F HA 0.253 4.780 4.527 -0.000 0.000 0.298 366 F C 0.429 176.243 175.800 0.023 0.000 1.161 366 F CA -0.863 57.151 58.000 0.024 0.000 1.353 366 F CB -0.352 38.672 39.000 0.041 0.000 0.951 366 F HN 0.222 nan 8.300 nan 0.000 0.508 367 N N -0.062 118.707 118.700 0.116 0.000 2.721 367 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 367 N C -0.666 174.908 175.510 0.106 0.000 1.072 367 N CA 0.414 53.516 53.050 0.086 0.000 0.710 367 N CB -1.549 36.982 38.487 0.072 0.000 0.993 367 N HN 0.104 nan 8.380 nan 0.000 0.547 368 V N 1.020 121.014 119.914 0.134 0.000 2.370 368 V HA 0.294 4.414 4.120 -0.000 0.000 0.279 368 V C -1.770 174.400 176.094 0.127 0.000 1.029 368 V CA -1.388 61.006 62.300 0.157 0.000 0.870 368 V CB 1.630 33.600 31.823 0.246 0.000 0.984 368 V HN -0.064 nan 8.190 nan 0.000 0.451 369 P HA 0.120 nan 4.420 nan 0.000 0.267 369 P C -0.794 176.582 177.300 0.127 0.000 1.200 369 P CA 0.085 63.249 63.100 0.106 0.000 0.772 369 P CB 0.571 32.332 31.700 0.102 0.000 0.855 370 V N 4.340 124.320 119.914 0.110 0.000 2.444 370 V HA 0.320 4.440 4.120 -0.000 0.000 0.294 370 V C 0.027 176.187 176.094 0.110 0.000 1.022 370 V CA -0.489 61.892 62.300 0.134 0.000 0.850 370 V CB 1.231 33.137 31.823 0.137 0.000 0.992 370 V HN 0.332 nan 8.190 nan 0.000 0.426 371 L N 4.998 126.287 121.223 0.110 0.000 2.282 371 L HA 0.703 5.043 4.340 -0.000 0.000 0.288 371 L C 0.319 177.161 176.870 -0.046 0.000 1.033 371 L CA -0.266 54.566 54.840 -0.014 0.000 0.807 371 L CB 1.945 44.024 42.059 0.032 0.000 1.209 371 L HN 0.780 nan 8.230 nan 0.000 0.423 372 T N -0.626 113.791 114.554 -0.230 0.000 2.824 372 T HA 0.651 5.001 4.350 -0.000 0.000 0.282 372 T C -0.739 173.688 174.700 -0.454 0.000 0.993 372 T CA -0.512 61.492 62.100 -0.160 0.000 0.967 372 T CB 0.980 69.818 68.868 -0.049 0.000 0.960 372 T HN 0.147 nan 8.240 nan 0.000 0.441 373 F N 2.364 122.256 119.950 -0.097 0.000 2.402 373 F HA 0.570 5.097 4.527 -0.000 0.000 0.355 373 F C -0.103 175.606 175.800 -0.151 0.000 1.123 373 F CA -1.064 56.839 58.000 -0.162 0.000 1.021 373 F CB 1.834 40.729 39.000 -0.175 0.000 1.160 373 F HN 0.406 nan 8.300 nan 0.000 0.451 374 V N 2.499 122.376 119.914 -0.061 0.000 2.427 374 V HA 0.494 4.614 4.120 -0.000 0.000 0.286 374 V C -0.725 175.343 176.094 -0.044 0.000 1.034 374 V CA -0.476 61.789 62.300 -0.059 0.000 0.893 374 V CB 1.680 33.452 31.823 -0.085 0.000 0.982 374 V HN 0.689 nan 8.190 nan 0.000 0.452 375 D N 3.258 123.650 120.400 -0.014 0.000 2.881 375 D HA 0.187 4.827 4.640 -0.000 0.000 0.238 375 D C -1.595 174.715 176.300 0.017 0.000 1.368 375 D CA -0.015 53.998 54.000 0.023 0.000 0.871 375 D CB 1.492 42.325 40.800 0.055 0.000 1.516 375 D HN 0.400 nan 8.370 nan 0.000 0.544 376 V N 4.260 124.197 119.914 0.038 0.000 2.577 376 V HA 0.602 4.722 4.120 -0.000 0.000 0.303 376 V C -1.968 174.212 176.094 0.143 0.000 1.042 376 V CA -1.968 60.350 62.300 0.031 0.000 0.872 376 V CB 2.591 34.384 31.823 -0.049 0.000 0.998 376 V HN 0.140 nan 8.190 nan 0.000 0.423 377 P HA 0.299 nan 4.420 nan 0.000 0.231 377 P C 0.608 177.997 177.300 0.148 0.000 1.168 377 P CA 1.473 64.689 63.100 0.194 0.000 0.779 377 P CB 0.665 32.399 31.700 0.057 0.000 0.844 378 G N -0.791 108.048 108.800 0.065 0.000 2.334 378 G HA2 0.161 4.121 3.960 -0.000 0.000 0.249 378 G HA3 0.161 4.121 3.960 -0.000 0.000 0.249 378 G C -1.769 173.075 174.900 -0.093 0.000 1.327 378 G CA -0.845 44.301 45.100 0.077 0.000 0.979 378 G HN -0.033 nan 8.290 nan 0.000 0.471 379 F N 0.093 120.069 119.950 0.044 0.000 2.425 379 F HA 0.660 5.187 4.527 0.000 0.000 0.331 379 F C 0.614 176.421 175.800 0.012 0.000 1.085 379 F CA -0.673 57.340 58.000 0.022 0.000 1.028 379 F CB 1.805 40.816 39.000 0.019 0.000 1.177 379 F HN 0.369 nan 8.300 nan 0.000 0.487 380 L N 5.920 127.230 121.223 0.144 0.000 2.597 380 L HA 0.253 4.593 4.340 -0.000 0.000 0.271 380 L C -2.284 174.641 176.870 0.092 0.000 1.157 380 L CA -1.383 53.510 54.840 0.088 0.000 0.928 380 L CB -0.576 41.501 42.059 0.029 0.000 1.216 380 L HN 0.311 nan 8.230 nan 0.000 0.481 381 P HA 0.474 nan 4.420 nan 0.000 0.268 381 P C -0.548 176.766 177.300 0.024 0.000 1.208 381 P CA -0.168 62.959 63.100 0.045 0.000 0.777 381 P CB 0.808 32.527 31.700 0.032 0.000 0.875 382 G N -0.136 108.663 108.800 -0.001 0.000 2.308 382 G HA2 0.124 4.084 3.960 -0.000 0.000 0.288 382 G HA3 0.124 4.084 3.960 -0.000 0.000 0.288 382 G C 0.240 175.099 174.900 -0.069 0.000 1.722 382 G CA -0.733 44.352 45.100 -0.025 0.000 0.924 382 G HN 0.244 nan 8.290 nan 0.000 0.732 383 V N 1.687 121.530 119.914 -0.118 0.000 2.427 383 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 383 V C 2.809 178.732 176.094 -0.286 0.000 1.051 383 V CA 2.647 64.792 62.300 -0.257 0.000 1.048 383 V CB -0.413 31.226 31.823 -0.307 0.000 0.666 383 V HN 0.926 nan 8.190 nan 0.000 0.456 384 D N -0.378 119.937 120.400 -0.142 0.000 2.123 384 D HA -0.263 4.377 4.640 -0.000 0.000 0.196 384 D C 1.913 178.204 176.300 -0.014 0.000 0.992 384 D CA 1.273 55.239 54.000 -0.057 0.000 0.833 384 D CB -0.346 40.442 40.800 -0.020 0.000 0.954 384 D HN 0.384 nan 8.370 nan 0.000 0.455 385 Q N 0.388 120.176 119.800 -0.020 0.000 2.096 385 Q HA -0.131 4.209 4.340 -0.000 0.000 0.204 385 Q C 2.169 178.179 176.000 0.016 0.000 0.982 385 Q CA 1.062 56.868 55.803 0.005 0.000 0.850 385 Q CB -0.204 28.542 28.738 0.013 0.000 0.901 385 Q HN 0.481 nan 8.270 nan 0.000 0.422 386 E N 0.027 120.228 120.200 0.001 0.000 2.028 386 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 386 E C 1.980 178.677 176.600 0.163 0.000 0.988 386 E CA 1.027 57.457 56.400 0.051 0.000 0.799 386 E CB -0.273 29.450 29.700 0.039 0.000 0.755 386 E HN 0.450 nan 8.360 nan 0.000 0.447 387 H N 0.849 119.916 119.070 -0.005 0.000 2.456 387 H HA -0.056 4.500 4.556 -0.000 0.000 0.296 387 H C 1.132 176.459 175.328 -0.002 0.000 1.079 387 H CA 1.062 57.108 56.048 -0.003 0.000 1.322 387 H CB -0.162 29.600 29.762 -0.001 0.000 1.388 387 H HN 0.107 nan 8.280 nan 0.000 0.538 388 D N -0.698 119.777 120.400 0.124 0.000 2.349 388 D HA 0.126 4.766 4.640 -0.000 0.000 0.224 388 D C 1.032 177.360 176.300 0.046 0.000 1.029 388 D CA 0.810 54.851 54.000 0.069 0.000 0.879 388 D CB -0.005 40.828 40.800 0.054 0.000 0.906 388 D HN 0.505 nan 8.370 nan 0.000 0.528 389 G N 1.484 110.311 108.800 0.045 0.000 2.255 389 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.239 389 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.239 389 G C 0.936 175.842 174.900 0.011 0.000 1.083 389 G CA 0.222 45.335 45.100 0.022 0.000 0.826 389 G HN 0.320 nan 8.290 nan 0.000 0.493 390 I N 0.161 120.734 120.570 0.006 0.000 2.335 390 I HA -0.079 4.091 4.170 -0.000 0.000 0.251 390 I C 2.456 178.541 176.117 -0.052 0.000 1.129 390 I CA 1.583 62.876 61.300 -0.013 0.000 1.402 390 I CB -0.220 37.763 38.000 -0.028 0.000 1.069 390 I HN 0.526 nan 8.210 nan 0.000 0.424 391 I N 0.977 121.514 120.570 -0.054 0.000 2.163 391 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 391 I C 2.635 178.731 176.117 -0.035 0.000 1.085 391 I CA 2.048 63.310 61.300 -0.064 0.000 1.347 391 I CB -0.543 37.431 38.000 -0.044 0.000 1.044 391 I HN 0.336 nan 8.210 nan 0.000 0.408 392 R N 0.903 121.393 120.500 -0.017 0.000 2.173 392 R HA 0.018 4.358 4.340 -0.000 0.000 0.208 392 R C 2.127 178.425 176.300 -0.002 0.000 1.035 392 R CA 0.513 56.607 56.100 -0.010 0.000 1.004 392 R CB -0.288 30.004 30.300 -0.013 0.000 0.917 392 R HN 0.282 nan 8.270 nan 0.000 0.462 393 R N 0.667 121.171 120.500 0.007 0.000 2.140 393 R HA 0.111 4.451 4.340 -0.000 0.000 0.213 393 R C 2.369 178.701 176.300 0.053 0.000 1.059 393 R CA 1.029 57.144 56.100 0.025 0.000 1.000 393 R CB -0.149 30.171 30.300 0.034 0.000 0.910 393 R HN 0.394 nan 8.270 nan 0.000 0.455 394 G N 0.838 109.669 108.800 0.051 0.000 2.448 394 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 394 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 394 G C 1.470 176.436 174.900 0.109 0.000 1.135 394 G CA 0.571 45.736 45.100 0.108 0.000 0.784 394 G HN 0.351 nan 8.290 nan 0.000 0.543 395 A N 0.760 123.617 122.820 0.061 0.000 2.121 395 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 395 A C 2.202 179.864 177.584 0.129 0.000 1.154 395 A CA 1.525 53.614 52.037 0.088 0.000 0.679 395 A CB -0.255 18.783 19.000 0.062 0.000 0.795 395 A HN 0.391 nan 8.150 nan 0.000 0.458 396 K N -0.475 119.979 120.400 0.091 0.000 2.147 396 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 396 K C 1.759 178.442 176.600 0.139 0.000 1.049 396 K CA 1.074 57.407 56.287 0.076 0.000 0.936 396 K CB -0.268 32.248 32.500 0.026 0.000 0.722 396 K HN 0.487 nan 8.250 nan 0.000 0.446 397 L N 1.335 122.649 121.223 0.152 0.000 2.072 397 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 397 L C 2.378 179.393 176.870 0.241 0.000 1.079 397 L CA 0.991 55.930 54.840 0.165 0.000 0.752 397 L CB -0.224 41.957 42.059 0.204 0.000 0.906 397 L HN 0.235 nan 8.230 nan 0.000 0.436 398 I N -3.999 116.718 120.570 0.245 0.000 2.315 398 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 398 I C 2.476 178.720 176.117 0.211 0.000 1.117 398 I CA 1.367 62.805 61.300 0.230 0.000 1.404 398 I CB -0.651 37.442 38.000 0.154 0.000 1.071 398 I HN 0.048 nan 8.210 nan 0.000 0.419 399 F N 2.260 122.250 119.950 0.068 0.000 2.102 399 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 399 F C 2.633 178.448 175.800 0.025 0.000 1.105 399 F CA 1.945 59.969 58.000 0.039 0.000 1.239 399 F CB -0.252 38.762 39.000 0.023 0.000 0.991 399 F HN 0.143 nan 8.300 nan 0.000 0.474 400 A N -0.425 122.567 122.820 0.287 0.000 1.892 400 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 400 A C 2.000 179.577 177.584 -0.013 0.000 1.188 400 A CA 2.025 54.118 52.037 0.095 0.000 0.631 400 A CB -1.553 17.413 19.000 -0.058 0.000 0.822 400 A HN 0.534 nan 8.150 nan 0.000 0.447 401 Y N -0.360 119.963 120.300 0.038 0.000 2.200 401 Y HA -0.021 4.529 4.550 -0.000 0.000 0.290 401 Y C 2.934 178.800 175.900 -0.057 0.000 1.137 401 Y CA 0.744 58.836 58.100 -0.012 0.000 1.163 401 Y CB -0.686 37.761 38.460 -0.022 0.000 0.988 401 Y HN 0.323 nan 8.280 nan 0.000 0.518 402 A N -0.331 122.533 122.820 0.074 0.000 2.015 402 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 402 A C 2.179 179.692 177.584 -0.118 0.000 1.163 402 A CA 1.724 53.729 52.037 -0.054 0.000 0.646 402 A CB -0.585 18.339 19.000 -0.128 0.000 0.806 402 A HN 0.548 nan 8.150 nan 0.000 0.448 403 E N 0.218 120.328 120.200 -0.151 0.000 2.112 403 E HA 0.139 4.489 4.350 -0.000 0.000 0.190 403 E C 1.007 177.574 176.600 -0.056 0.000 0.979 403 E CA 0.419 56.732 56.400 -0.146 0.000 0.814 403 E CB -0.213 29.414 29.700 -0.122 0.000 0.762 403 E HN 0.503 nan 8.360 nan 0.000 0.460 404 A N 0.968 123.776 122.820 -0.020 0.000 2.567 404 A HA 0.015 4.335 4.320 -0.000 0.000 0.240 404 A C 0.910 178.492 177.584 -0.003 0.000 1.053 404 A CA 0.828 52.862 52.037 -0.005 0.000 0.755 404 A CB 0.123 19.135 19.000 0.020 0.000 0.978 404 A HN 0.410 nan 8.150 nan 0.000 0.507 405 T N -0.068 114.481 114.554 -0.008 0.000 3.044 405 T HA 0.316 4.666 4.350 -0.000 0.000 0.260 405 T C 0.606 175.308 174.700 0.004 0.000 1.019 405 T CA 0.434 62.530 62.100 -0.007 0.000 0.921 405 T CB -1.122 67.737 68.868 -0.015 0.000 1.053 405 T HN 1.090 nan 8.240 nan 0.000 0.533 406 V N -0.807 119.115 119.914 0.013 0.000 3.319 406 V HA 0.483 4.603 4.120 -0.000 0.000 0.303 406 V C -2.770 173.343 176.094 0.031 0.000 1.094 406 V CA -2.591 59.725 62.300 0.025 0.000 1.106 406 V CB -0.225 31.620 31.823 0.037 0.000 1.099 406 V HN -0.056 nan 8.190 nan 0.000 0.476 407 P HA 0.319 nan 4.420 nan 0.000 0.265 407 P C -0.879 176.445 177.300 0.040 0.000 1.193 407 P CA 0.357 63.477 63.100 0.033 0.000 0.765 407 P CB 0.201 31.924 31.700 0.039 0.000 0.823 408 L N 4.535 125.772 121.223 0.024 0.000 2.404 408 L HA 0.520 4.859 4.340 -0.000 0.000 0.272 408 L C -0.300 176.556 176.870 -0.024 0.000 0.980 408 L CA -0.359 54.494 54.840 0.022 0.000 0.836 408 L CB 1.301 43.378 42.059 0.030 0.000 1.238 408 L HN 0.239 nan 8.230 nan 0.000 0.408 409 I N 2.256 122.801 120.570 -0.041 0.000 2.436 409 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 409 I C -0.404 175.606 176.117 -0.179 0.000 1.010 409 I CA -0.259 60.988 61.300 -0.089 0.000 1.098 409 I CB 2.342 40.306 38.000 -0.060 0.000 1.266 409 I HN 0.482 nan 8.210 nan 0.000 0.434 410 T N 5.489 119.917 114.554 -0.210 0.000 2.807 410 T HA 0.533 4.883 4.350 -0.000 0.000 0.279 410 T C -0.437 174.078 174.700 -0.308 0.000 0.993 410 T CA -0.493 61.434 62.100 -0.288 0.000 0.970 410 T CB 2.156 70.862 68.868 -0.270 0.000 0.950 410 T HN 0.176 nan 8.240 nan 0.000 0.441 411 V N 4.618 124.273 119.914 -0.430 0.000 2.407 411 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 411 V C -0.251 175.618 176.094 -0.375 0.000 1.018 411 V CA -0.786 61.272 62.300 -0.403 0.000 0.842 411 V CB 1.401 32.936 31.823 -0.481 0.000 0.996 411 V HN 0.819 nan 8.190 nan 0.000 0.426 412 I N 4.906 125.285 120.570 -0.318 0.000 2.291 412 I HA 0.183 4.353 4.170 -0.000 0.000 0.290 412 I C 1.638 177.509 176.117 -0.410 0.000 1.050 412 I CA -0.071 61.069 61.300 -0.266 0.000 1.245 412 I CB 1.609 39.519 38.000 -0.149 0.000 1.405 412 I HN 0.814 nan 8.210 nan 0.000 0.478 413 T N 2.756 117.010 114.554 -0.500 0.000 2.978 413 T HA 0.045 4.395 4.350 -0.000 0.000 0.262 413 T C 1.321 175.943 174.700 -0.130 0.000 1.063 413 T CA 0.695 62.390 62.100 -0.676 0.000 1.140 413 T CB 0.438 68.854 68.868 -0.752 0.000 0.886 413 T HN 0.626 nan 8.240 nan 0.000 0.470 414 R N 0.204 120.675 120.500 -0.048 0.000 2.969 414 R HA 0.388 4.728 4.340 -0.000 0.000 0.094 414 R C -0.924 175.382 176.300 0.010 0.000 0.687 414 R CA -0.658 55.469 56.100 0.045 0.000 0.508 414 R CB 0.348 30.743 30.300 0.159 0.000 0.445 414 R HN -0.009 nan 8.270 nan 0.000 0.332 415 K N 0.562 121.011 120.400 0.082 0.000 2.382 415 K HA 0.380 4.700 4.320 -0.000 0.000 0.275 415 K C -1.092 175.489 176.600 -0.033 0.000 1.009 415 K CA 0.683 57.022 56.287 0.086 0.000 0.970 415 K CB 1.349 34.047 32.500 0.330 0.000 0.934 415 K HN 0.475 nan 8.250 nan 0.000 0.479 416 A N 3.849 126.507 122.820 -0.270 0.000 2.893 416 A HA 0.370 4.690 4.320 -0.000 0.000 0.298 416 A C -1.458 175.927 177.584 -0.331 0.000 1.227 416 A CA -0.728 51.221 52.037 -0.146 0.000 0.845 416 A CB 0.003 18.964 19.000 -0.065 0.000 1.430 416 A HN 0.518 nan 8.150 nan 0.000 0.493 417 F N 0.967 120.975 119.950 0.096 0.000 2.507 417 F HA 0.707 5.234 4.527 -0.000 0.000 0.327 417 F C 1.361 177.250 175.800 0.149 0.000 1.068 417 F CA 0.562 58.618 58.000 0.095 0.000 0.965 417 F CB 1.735 40.779 39.000 0.073 0.000 1.192 417 F HN 1.023 nan 8.300 nan 0.000 0.476 418 G N 1.382 110.379 108.800 0.328 0.000 2.582 418 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.300 418 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.300 418 G C 1.251 176.323 174.900 0.286 0.000 1.300 418 G CA 0.132 45.392 45.100 0.267 0.000 0.959 418 G HN 1.305 nan 8.290 nan 0.000 0.548 419 G N -0.396 108.557 108.800 0.254 0.000 2.462 419 G HA2 0.174 4.134 3.960 -0.000 0.000 0.220 419 G HA3 0.174 4.134 3.960 -0.000 0.000 0.220 419 G C 2.104 177.197 174.900 0.321 0.000 1.121 419 G CA 2.742 47.989 45.100 0.244 0.000 0.758 419 G HN 1.841 nan 8.290 nan 0.000 0.559 420 A N 0.373 123.427 122.820 0.391 0.000 1.908 420 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 420 A C 2.153 179.823 177.584 0.142 0.000 1.181 420 A CA 1.789 53.967 52.037 0.235 0.000 0.627 420 A CB -0.712 18.332 19.000 0.073 0.000 0.818 420 A HN 0.575 nan 8.150 nan 0.000 0.445 421 Y N 1.277 121.618 120.300 0.068 0.000 2.128 421 Y HA -0.256 4.294 4.550 -0.000 0.000 0.284 421 Y C 1.915 177.821 175.900 0.010 0.000 1.154 421 Y CA 2.035 60.140 58.100 0.008 0.000 1.149 421 Y CB -0.404 38.060 38.460 0.007 0.000 0.976 421 Y HN 0.369 nan 8.280 nan 0.000 0.505 422 D N -0.179 120.088 120.400 -0.220 0.000 2.097 422 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 422 D C 2.395 178.566 176.300 -0.214 0.000 0.989 422 D CA 1.984 55.807 54.000 -0.295 0.000 0.827 422 D CB -0.262 40.512 40.800 -0.043 0.000 0.966 422 D HN 0.372 nan 8.370 nan 0.000 0.456 423 V N 1.520 121.408 119.914 -0.044 0.000 2.287 423 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 423 V C 1.594 177.639 176.094 -0.081 0.000 1.053 423 V CA 0.984 63.306 62.300 0.037 0.000 1.027 423 V CB -0.317 31.624 31.823 0.196 0.000 0.646 423 V HN 0.241 nan 8.190 nan 0.000 0.447 424 M N 1.104 120.605 119.600 -0.166 0.000 3.593 424 M HA 0.212 4.692 4.480 -0.000 0.000 0.204 424 M C 1.317 177.261 176.300 -0.593 0.000 1.569 424 M CA 0.457 55.602 55.300 -0.258 0.000 1.694 424 M CB -1.467 31.047 32.600 -0.144 0.000 1.149 424 M HN 0.500 nan 8.290 nan 0.000 0.552 425 G N 2.053 110.117 108.800 -1.227 0.000 2.366 425 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.299 425 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.299 425 G C 0.468 174.972 174.900 -0.661 0.000 1.020 425 G CA 0.575 44.884 45.100 -1.317 0.000 1.026 425 G HN 0.757 nan 8.290 nan 0.000 0.512 426 S N -1.195 114.147 115.700 -0.597 0.000 2.600 426 S HA 0.379 4.849 4.470 -0.000 0.000 0.265 426 S C 1.511 175.800 174.600 -0.519 0.000 1.325 426 S CA 0.343 58.176 58.200 -0.612 0.000 1.002 426 S CB 1.663 64.377 63.200 -0.810 0.000 0.921 426 S HN 0.571 nan 8.310 nan 0.000 0.554 427 K N 0.217 120.261 120.400 -0.594 0.000 2.147 427 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 427 K C 1.577 177.906 176.600 -0.451 0.000 1.049 427 K CA 1.385 57.392 56.287 -0.466 0.000 0.936 427 K CB -0.366 31.889 32.500 -0.407 0.000 0.722 427 K HN 0.773 nan 8.250 nan 0.000 0.446 428 H N -0.022 118.903 119.070 -0.243 0.000 2.456 428 H HA -0.098 4.458 4.556 -0.000 0.000 0.296 428 H C 1.705 176.935 175.328 -0.162 0.000 1.079 428 H CA 0.870 56.791 56.048 -0.213 0.000 1.322 428 H CB 0.077 29.687 29.762 -0.254 0.000 1.388 428 H HN 0.155 nan 8.280 nan 0.000 0.538 429 L N -0.532 120.617 121.223 -0.122 0.000 2.509 429 L HA 0.158 4.498 4.340 -0.000 0.000 0.222 429 L C 1.752 178.575 176.870 -0.078 0.000 1.123 429 L CA 1.273 56.060 54.840 -0.088 0.000 0.856 429 L CB 0.096 42.094 42.059 -0.101 0.000 0.985 429 L HN 0.543 nan 8.230 nan 0.000 0.456 430 G N -2.145 106.591 108.800 -0.106 0.000 2.273 430 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.162 430 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.162 430 G C 0.494 175.346 174.900 -0.081 0.000 1.006 430 G CA -0.230 44.825 45.100 -0.075 0.000 0.704 430 G HN 0.504 nan 8.290 nan 0.000 0.487 431 A N 0.713 123.454 122.820 -0.132 0.000 2.567 431 A HA 0.450 4.770 4.320 -0.000 0.000 0.240 431 A C 1.277 178.804 177.584 -0.096 0.000 1.053 431 A CA 1.128 53.089 52.037 -0.128 0.000 0.755 431 A CB 0.253 19.126 19.000 -0.211 0.000 0.978 431 A HN 0.254 nan 8.150 nan 0.000 0.507 432 D N 0.620 120.983 120.400 -0.060 0.000 2.162 432 D HA 0.034 4.674 4.640 -0.000 0.000 0.203 432 D C 0.059 176.336 176.300 -0.037 0.000 0.967 432 D CA 1.173 55.150 54.000 -0.039 0.000 0.840 432 D CB 0.098 40.888 40.800 -0.016 0.000 0.972 432 D HN 0.368 nan 8.370 nan 0.000 0.482 433 L N 0.992 122.186 121.223 -0.048 0.000 2.439 433 L HA 0.333 4.673 4.340 -0.000 0.000 0.270 433 L C -1.760 175.063 176.870 -0.078 0.000 0.972 433 L CA -0.503 54.313 54.840 -0.040 0.000 0.836 433 L CB 1.868 43.923 42.059 -0.007 0.000 1.255 433 L HN -0.299 nan 8.230 nan 0.000 0.404 434 N N 5.825 124.476 118.700 -0.080 0.000 2.483 434 N HA 0.664 5.404 4.740 -0.000 0.000 0.267 434 N C -1.436 174.018 175.510 -0.093 0.000 0.998 434 N CA -0.559 52.426 53.050 -0.108 0.000 0.918 434 N CB 1.631 40.051 38.487 -0.111 0.000 1.215 434 N HN 0.298 nan 8.380 nan 0.000 0.500 435 L N 1.192 122.342 121.223 -0.122 0.000 2.334 435 L HA 0.912 5.252 4.340 -0.000 0.000 0.272 435 L C 0.102 176.906 176.870 -0.111 0.000 1.020 435 L CA -1.105 53.662 54.840 -0.121 0.000 0.812 435 L CB 1.128 43.100 42.059 -0.145 0.000 1.264 435 L HN 0.545 nan 8.230 nan 0.000 0.439 436 A N 0.755 123.536 122.820 -0.064 0.000 2.449 436 A HA 0.705 5.025 4.320 -0.000 0.000 0.302 436 A C -1.551 176.104 177.584 0.119 0.000 1.048 436 A CA -0.535 51.470 52.037 -0.053 0.000 0.708 436 A CB 1.063 20.000 19.000 -0.106 0.000 1.274 436 A HN 0.531 nan 8.150 nan 0.000 0.410 437 W N 1.504 122.737 121.300 -0.112 0.000 2.253 437 W HA 0.468 5.128 4.660 0.000 0.000 0.348 437 W C -2.011 174.436 176.519 -0.120 0.000 1.229 437 W CA -1.879 55.409 57.345 -0.095 0.000 1.335 437 W CB -0.042 29.378 29.460 -0.067 0.000 1.165 437 W HN 0.487 nan 8.180 nan 0.000 0.631 438 P HA -0.131 nan 4.420 nan 0.000 0.222 438 P C 1.286 178.621 177.300 0.058 0.000 1.147 438 P CA 2.175 65.306 63.100 0.051 0.000 0.790 438 P CB 0.054 31.795 31.700 0.068 0.000 0.780 439 T N -4.141 110.483 114.554 0.116 0.000 3.129 439 T HA 0.344 4.694 4.350 -0.000 0.000 0.251 439 T C 0.896 175.640 174.700 0.073 0.000 1.117 439 T CA -0.226 61.937 62.100 0.105 0.000 1.034 439 T CB -0.576 68.376 68.868 0.141 0.000 0.968 439 T HN -0.005 nan 8.240 nan 0.000 0.526 440 A N 1.510 124.347 122.820 0.029 0.000 2.462 440 A HA 0.442 4.761 4.320 -0.000 0.000 0.243 440 A C 0.164 177.689 177.584 -0.098 0.000 1.076 440 A CA -0.454 51.553 52.037 -0.050 0.000 0.773 440 A CB 0.184 19.123 19.000 -0.101 0.000 1.010 440 A HN 0.569 nan 8.150 nan 0.000 0.493 441 Q N 1.721 121.432 119.800 -0.148 0.000 2.558 441 Q HA 0.410 4.750 4.340 -0.000 0.000 0.252 441 Q C -1.355 174.320 176.000 -0.542 0.000 1.015 441 Q CA 0.097 55.761 55.803 -0.231 0.000 0.720 441 Q CB 1.361 30.061 28.738 -0.063 0.000 1.215 441 Q HN 0.710 nan 8.270 nan 0.000 0.500 442 I N 1.940 122.254 120.570 -0.427 0.000 2.306 442 I HA 0.680 4.850 4.170 -0.000 0.000 0.288 442 I C -0.162 175.702 176.117 -0.422 0.000 1.036 442 I CA -0.476 60.519 61.300 -0.509 0.000 1.221 442 I CB 0.986 38.729 38.000 -0.428 0.000 1.385 442 I HN 0.469 nan 8.210 nan 0.000 0.472 443 A N 4.676 127.224 122.820 -0.454 0.000 2.587 443 A HA 0.467 4.787 4.320 -0.000 0.000 0.293 443 A C 0.294 177.920 177.584 0.070 0.000 1.087 443 A CA -0.467 51.516 52.037 -0.090 0.000 0.692 443 A CB 1.684 20.791 19.000 0.178 0.000 1.291 443 A HN 0.401 nan 8.150 nan 0.000 0.407 444 V N 0.866 120.870 119.914 0.150 0.000 2.490 444 V HA 0.089 4.209 4.120 -0.000 0.000 0.250 444 V C 0.618 176.858 176.094 0.244 0.000 1.061 444 V CA 3.037 65.438 62.300 0.167 0.000 1.064 444 V CB -0.866 31.038 31.823 0.135 0.000 0.670 444 V HN 1.084 nan 8.190 nan 0.000 0.461 445 M N -2.536 117.263 119.600 0.331 0.000 3.012 445 M HA 0.566 5.046 4.480 -0.000 0.000 0.272 445 M C -0.063 176.338 176.300 0.167 0.000 1.187 445 M CA -0.237 55.215 55.300 0.252 0.000 0.813 445 M CB 0.927 33.576 32.600 0.082 0.000 1.626 445 M HN -0.021 nan 8.290 nan 0.000 0.507 446 G N 0.339 109.023 108.800 -0.193 0.000 2.484 446 G HA2 0.422 4.382 3.960 -0.000 0.000 0.235 446 G HA3 0.422 4.382 3.960 -0.000 0.000 0.235 446 G C 0.823 175.622 174.900 -0.169 0.000 1.282 446 G CA 0.019 44.923 45.100 -0.327 0.000 0.857 446 G HN 1.097 nan 8.290 nan 0.000 0.571 447 A N 1.070 123.837 122.820 -0.090 0.000 1.892 447 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 447 A C 2.241 179.673 177.584 -0.253 0.000 1.188 447 A CA 2.207 54.137 52.037 -0.179 0.000 0.631 447 A CB -0.681 18.380 19.000 0.100 0.000 0.822 447 A HN 0.762 nan 8.150 nan 0.000 0.447 448 Q N -0.903 118.813 119.800 -0.141 0.000 2.061 448 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 448 Q C 2.122 178.044 176.000 -0.129 0.000 0.984 448 Q CA 1.821 57.559 55.803 -0.109 0.000 0.846 448 Q CB -0.538 28.154 28.738 -0.077 0.000 0.902 448 Q HN 0.603 nan 8.270 nan 0.000 0.421 449 G N -0.016 108.700 108.800 -0.141 0.000 2.422 449 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 449 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 449 G C 1.403 176.212 174.900 -0.152 0.000 1.140 449 G CA 0.837 45.865 45.100 -0.119 0.000 0.775 449 G HN 0.493 nan 8.290 nan 0.000 0.545 450 A N 0.664 123.328 122.820 -0.260 0.000 1.872 450 A HA 0.089 4.409 4.320 -0.000 0.000 0.214 450 A C 2.705 180.100 177.584 -0.315 0.000 1.187 450 A CA 2.311 54.139 52.037 -0.347 0.000 0.614 450 A CB -0.829 17.738 19.000 -0.722 0.000 0.826 450 A HN 0.836 nan 8.150 nan 0.000 0.442 451 V N -1.426 118.304 119.914 -0.308 0.000 2.427 451 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 451 V C 1.689 177.768 176.094 -0.024 0.000 1.051 451 V CA 2.220 64.472 62.300 -0.079 0.000 1.048 451 V CB -1.242 30.611 31.823 0.051 0.000 0.666 451 V HN 0.446 nan 8.190 nan 0.000 0.456 452 N N 0.480 119.150 118.700 -0.051 0.000 2.519 452 N HA 0.023 4.763 4.740 -0.000 0.000 0.186 452 N C 1.553 177.044 175.510 -0.032 0.000 1.062 452 N CA 1.835 54.871 53.050 -0.025 0.000 0.910 452 N CB -0.169 38.297 38.487 -0.034 0.000 0.958 452 N HN 0.616 nan 8.380 nan 0.000 0.445 453 I N -0.430 120.100 120.570 -0.067 0.000 2.900 453 I HA -0.022 4.148 4.170 -0.000 0.000 0.251 453 I C 1.817 177.878 176.117 -0.094 0.000 1.102 453 I CA 0.151 61.412 61.300 -0.066 0.000 1.457 453 I CB -0.029 37.931 38.000 -0.067 0.000 1.285 453 I HN -0.083 nan 8.210 nan 0.000 0.459 454 L N 0.585 121.702 121.223 -0.177 0.000 2.079 454 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 454 L C 1.434 178.076 176.870 -0.380 0.000 1.081 454 L CA 1.216 55.870 54.840 -0.310 0.000 0.752 454 L CB -0.548 41.234 42.059 -0.462 0.000 0.896 454 L HN 0.412 nan 8.230 nan 0.000 0.433 455 H N -1.281 117.794 119.070 0.008 0.000 2.475 455 H HA 0.167 4.723 4.556 -0.000 0.000 0.276 455 H C 1.512 176.841 175.328 0.002 0.000 1.126 455 H CA -0.144 55.910 56.048 0.011 0.000 1.023 455 H CB 0.220 29.991 29.762 0.016 0.000 1.669 455 H HN 0.249 nan 8.280 nan 0.000 0.573 456 R N 1.133 121.668 120.500 0.058 0.000 2.091 456 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 456 R C 1.401 177.726 176.300 0.041 0.000 1.136 456 R CA 1.502 57.624 56.100 0.037 0.000 0.959 456 R CB 0.325 30.630 30.300 0.008 0.000 0.856 456 R HN 0.033 nan 8.270 nan 0.000 0.437 457 R N -0.697 119.831 120.500 0.045 0.000 2.075 457 R HA 0.071 4.411 4.340 -0.000 0.000 0.226 457 R C 2.233 178.561 176.300 0.047 0.000 1.114 457 R CA 1.812 57.935 56.100 0.039 0.000 0.972 457 R CB -0.755 29.565 30.300 0.033 0.000 0.869 457 R HN 0.186 nan 8.270 nan 0.000 0.437 458 T N 0.927 115.526 114.554 0.074 0.000 2.881 458 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 458 T C 1.539 176.262 174.700 0.038 0.000 1.068 458 T CA 1.120 63.257 62.100 0.062 0.000 1.131 458 T CB -0.149 68.774 68.868 0.092 0.000 0.871 458 T HN 0.052 nan 8.240 nan 0.000 0.479 459 I N 0.963 121.563 120.570 0.050 0.000 2.852 459 I HA 0.292 4.462 4.170 -0.000 0.000 0.264 459 I C 2.364 178.493 176.117 0.020 0.000 1.179 459 I CA 0.141 61.459 61.300 0.029 0.000 1.480 459 I CB -0.495 37.529 38.000 0.040 0.000 1.111 459 I HN 0.124 nan 8.210 nan 0.000 0.441 460 A N -0.280 122.553 122.820 0.023 0.000 1.972 460 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 460 A C 1.057 178.648 177.584 0.012 0.000 1.169 460 A CA 1.081 53.127 52.037 0.015 0.000 0.635 460 A CB -0.898 18.111 19.000 0.016 0.000 0.810 460 A HN 0.428 nan 8.150 nan 0.000 0.446 461 D N -0.161 120.246 120.400 0.013 0.000 2.443 461 D HA 0.372 5.012 4.640 -0.000 0.000 0.239 461 D C 0.525 176.828 176.300 0.005 0.000 1.136 461 D CA 1.414 55.419 54.000 0.009 0.000 0.879 461 D CB 0.390 41.196 40.800 0.009 0.000 1.195 461 D HN 0.867 nan 8.370 nan 0.000 0.443 462 A N 1.886 124.708 122.820 0.004 0.000 1.726 462 A HA -0.065 4.255 4.320 -0.000 0.000 0.224 462 A C 1.509 179.094 177.584 0.002 0.000 1.317 462 A CA 0.528 52.566 52.037 0.002 0.000 0.685 462 A CB -1.547 17.454 19.000 0.000 0.000 1.175 462 A HN 0.746 nan 8.150 nan 0.000 0.230 463 G N 2.258 111.059 108.800 0.002 0.000 2.442 463 G HA2 0.005 3.965 3.960 -0.000 0.000 0.219 463 G HA3 0.005 3.965 3.960 -0.000 0.000 0.219 463 G C 0.543 175.443 174.900 0.001 0.000 1.141 463 G CA 1.110 46.211 45.100 0.002 0.000 0.763 463 G HN 1.284 nan 8.290 nan 0.000 0.554 464 D N 0.279 120.679 120.400 0.000 0.000 2.362 464 D HA 0.086 4.726 4.640 -0.000 0.000 0.242 464 D C -0.134 176.165 176.300 -0.001 0.000 1.132 464 D CA -0.042 53.958 54.000 -0.001 0.000 0.907 464 D CB 0.823 41.622 40.800 -0.001 0.000 1.195 464 D HN 0.195 nan 8.370 nan 0.000 0.429 465 D N 0.053 120.452 120.400 -0.002 0.000 2.945 465 D HA -0.219 4.421 4.640 -0.000 0.000 0.225 465 D C 1.221 177.519 176.300 -0.003 0.000 1.158 465 D CA 0.907 54.905 54.000 -0.003 0.000 0.805 465 D CB -1.297 39.500 40.800 -0.004 0.000 1.098 465 D HN 0.610 nan 8.370 nan 0.000 0.426 466 A N -0.046 122.773 122.820 -0.002 0.000 1.842 466 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 466 A C 1.395 178.978 177.584 -0.002 0.000 1.206 466 A CA 1.476 53.513 52.037 -0.001 0.000 0.630 466 A CB -0.072 18.927 19.000 0.000 0.000 0.839 466 A HN 0.277 nan 8.150 nan 0.000 0.447 467 E N -3.076 117.123 120.200 -0.002 0.000 2.816 467 E HA 0.465 4.815 4.350 -0.000 0.000 0.260 467 E C 1.104 177.702 176.600 -0.004 0.000 1.414 467 E CA 0.896 57.295 56.400 -0.002 0.000 1.074 467 E CB -0.073 29.626 29.700 -0.002 0.000 1.123 467 E HN 1.123 nan 8.360 nan 0.000 0.664 468 A N -1.517 121.301 122.820 -0.003 0.000 3.870 468 A HA -0.319 4.001 4.320 -0.000 0.000 0.246 468 A C 1.863 179.441 177.584 -0.009 0.000 0.669 468 A CA 2.539 54.574 52.037 -0.004 0.000 1.221 468 A CB -2.512 16.485 19.000 -0.004 0.000 1.199 468 A HN 0.492 nan 8.150 nan 0.000 0.685 469 T N -0.250 114.296 114.554 -0.012 0.000 2.852 469 T HA 0.020 4.370 4.350 -0.000 0.000 0.256 469 T C 1.853 176.535 174.700 -0.030 0.000 1.038 469 T CA 1.639 63.725 62.100 -0.023 0.000 1.141 469 T CB -0.206 68.649 68.868 -0.021 0.000 0.869 469 T HN 0.913 nan 8.240 nan 0.000 0.439 470 R N 1.448 121.939 120.500 -0.014 0.000 2.161 470 R HA 0.390 4.730 4.340 -0.000 0.000 0.213 470 R C 2.508 178.809 176.300 0.003 0.000 1.055 470 R CA 0.932 57.029 56.100 -0.004 0.000 0.996 470 R CB -0.470 29.836 30.300 0.010 0.000 0.901 470 R HN 0.252 nan 8.270 nan 0.000 0.456 471 A N 2.166 124.987 122.820 0.001 0.000 1.902 471 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 471 A C 2.317 179.908 177.584 0.012 0.000 1.181 471 A CA 1.504 53.544 52.037 0.006 0.000 0.623 471 A CB -0.577 18.425 19.000 0.004 0.000 0.818 471 A HN 0.425 nan 8.150 nan 0.000 0.443 472 R N -0.971 119.530 120.500 0.002 0.000 2.075 472 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 472 R C 1.809 178.114 176.300 0.008 0.000 1.126 472 R CA 1.398 57.499 56.100 0.002 0.000 0.963 472 R CB -0.360 29.933 30.300 -0.012 0.000 0.858 472 R HN 0.359 nan 8.270 nan 0.000 0.435 473 L N 1.053 122.269 121.223 -0.012 0.000 2.046 473 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 473 L C 2.220 179.150 176.870 0.101 0.000 1.077 473 L CA 1.560 56.397 54.840 -0.006 0.000 0.747 473 L CB -0.503 41.504 42.059 -0.087 0.000 0.896 473 L HN 0.261 nan 8.230 nan 0.000 0.432 474 I N -1.108 119.508 120.570 0.077 0.000 2.179 474 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 474 I C 2.600 178.793 176.117 0.127 0.000 1.088 474 I CA 1.177 62.532 61.300 0.091 0.000 1.357 474 I CB -0.412 37.611 38.000 0.038 0.000 1.051 474 I HN 0.428 nan 8.210 nan 0.000 0.409 475 Q N 1.581 121.432 119.800 0.085 0.000 2.084 475 Q HA -0.247 4.093 4.340 -0.000 0.000 0.202 475 Q C 1.858 177.914 176.000 0.095 0.000 0.978 475 Q CA 1.858 57.709 55.803 0.079 0.000 0.844 475 Q CB -0.094 28.672 28.738 0.048 0.000 0.898 475 Q HN 0.585 nan 8.270 nan 0.000 0.426 476 E N -0.723 119.532 120.200 0.093 0.000 2.106 476 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 476 E C 1.881 178.552 176.600 0.119 0.000 0.984 476 E CA 1.049 57.499 56.400 0.084 0.000 0.806 476 E CB -0.290 29.447 29.700 0.061 0.000 0.750 476 E HN 0.388 nan 8.360 nan 0.000 0.458 477 Y N 2.608 122.948 120.300 0.066 0.000 2.200 477 Y HA -0.212 4.338 4.550 -0.000 0.000 0.290 477 Y C 2.270 178.217 175.900 0.079 0.000 1.137 477 Y CA 2.047 60.197 58.100 0.084 0.000 1.163 477 Y CB 0.051 38.573 38.460 0.103 0.000 0.988 477 Y HN 0.060 nan 8.280 nan 0.000 0.518 478 E N -1.209 119.166 120.200 0.293 0.000 2.106 478 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 478 E C 1.250 177.912 176.600 0.105 0.000 0.984 478 E CA 1.431 57.961 56.400 0.217 0.000 0.806 478 E CB -0.407 29.411 29.700 0.196 0.000 0.750 478 E HN 0.409 nan 8.360 nan 0.000 0.458 479 D N 0.874 121.320 120.400 0.076 0.000 2.312 479 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 479 D C 1.610 177.919 176.300 0.014 0.000 0.964 479 D CA 1.205 55.233 54.000 0.046 0.000 0.877 479 D CB 0.305 41.128 40.800 0.039 0.000 0.924 479 D HN 0.364 nan 8.370 nan 0.000 0.515 480 A N -0.318 122.485 122.820 -0.029 0.000 1.993 480 A HA 0.095 4.415 4.320 -0.000 0.000 0.207 480 A C 1.723 179.233 177.584 -0.124 0.000 1.224 480 A CA 0.281 52.272 52.037 -0.077 0.000 0.749 480 A CB 0.297 19.234 19.000 -0.104 0.000 0.884 480 A HN 0.085 nan 8.150 nan 0.000 0.467 481 L N -1.173 119.919 121.223 -0.219 0.000 2.642 481 L HA 0.309 4.649 4.340 -0.000 0.000 0.233 481 L C 0.114 176.942 176.870 -0.070 0.000 1.077 481 L CA 0.548 55.251 54.840 -0.229 0.000 0.879 481 L CB -0.777 40.951 42.059 -0.553 0.000 1.151 481 L HN 0.209 nan 8.230 nan 0.000 0.495 482 L N 3.248 124.487 121.223 0.027 0.000 2.416 482 L HA 0.173 4.513 4.340 -0.000 0.000 0.243 482 L C 0.395 177.287 176.870 0.038 0.000 1.373 482 L CA 0.311 55.211 54.840 0.100 0.000 1.227 482 L CB -1.350 40.842 42.059 0.222 0.000 1.428 482 L HN 0.439 nan 8.230 nan 0.000 0.425 483 N N -0.060 118.623 118.700 -0.029 0.000 3.106 483 N HA 0.441 5.181 4.740 -0.000 0.000 0.253 483 N C -2.907 172.493 175.510 -0.184 0.000 1.506 483 N CA -1.146 51.866 53.050 -0.062 0.000 0.876 483 N CB 1.845 40.380 38.487 0.080 0.000 1.452 483 N HN -0.215 nan 8.380 nan 0.000 0.542 484 P HA 0.163 nan 4.420 nan 0.000 0.268 484 P C 0.296 177.355 177.300 -0.402 0.000 1.329 484 P CA 0.252 63.123 63.100 -0.381 0.000 0.899 484 P CB -0.111 31.355 31.700 -0.389 0.000 1.378 485 Y N 0.429 120.689 120.300 -0.066 0.000 2.314 485 Y HA -0.074 4.476 4.550 -0.000 0.000 0.293 485 Y C 2.635 178.479 175.900 -0.093 0.000 1.129 485 Y CA 1.499 59.559 58.100 -0.067 0.000 1.201 485 Y CB -1.583 36.844 38.460 -0.055 0.000 0.999 485 Y HN -0.055 nan 8.280 nan 0.000 0.541 486 T N -0.095 114.459 114.554 -0.001 0.000 2.737 486 T HA -0.184 4.166 4.350 -0.000 0.000 0.265 486 T C 2.274 176.876 174.700 -0.163 0.000 1.038 486 T CA 1.365 63.420 62.100 -0.076 0.000 1.144 486 T CB -0.589 68.221 68.868 -0.096 0.000 0.866 486 T HN 0.424 nan 8.240 nan 0.000 0.434 487 A N 1.372 124.090 122.820 -0.170 0.000 1.933 487 A HA 0.141 4.461 4.320 -0.000 0.000 0.218 487 A C 2.598 180.097 177.584 -0.143 0.000 1.175 487 A CA 1.819 53.742 52.037 -0.189 0.000 0.628 487 A CB -0.991 17.963 19.000 -0.077 0.000 0.814 487 A HN 0.506 nan 8.150 nan 0.000 0.444 488 A N -0.150 122.617 122.820 -0.087 0.000 1.930 488 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 488 A C 1.876 179.442 177.584 -0.031 0.000 1.175 488 A CA 1.485 53.503 52.037 -0.032 0.000 0.627 488 A CB -0.471 18.533 19.000 0.007 0.000 0.815 488 A HN 0.640 nan 8.150 nan 0.000 0.443 489 E N -0.424 119.746 120.200 -0.050 0.000 2.153 489 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 489 E C 1.874 178.412 176.600 -0.104 0.000 0.988 489 E CA 0.827 57.193 56.400 -0.056 0.000 0.811 489 E CB -0.104 29.561 29.700 -0.058 0.000 0.746 489 E HN 0.407 nan 8.360 nan 0.000 0.466 490 R N -0.530 119.837 120.500 -0.222 0.000 2.275 490 R HA 0.063 4.403 4.340 -0.000 0.000 0.199 490 R C 1.435 177.663 176.300 -0.120 0.000 0.989 490 R CA 0.822 56.734 56.100 -0.314 0.000 1.016 490 R CB 0.283 30.040 30.300 -0.905 0.000 0.918 490 R HN 0.320 nan 8.270 nan 0.000 0.473 491 G N 0.685 109.460 108.800 -0.041 0.000 2.159 491 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.256 491 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.256 491 G C 0.766 175.798 174.900 0.220 0.000 0.977 491 G CA 0.342 45.491 45.100 0.081 0.000 0.652 491 G HN 0.475 nan 8.290 nan 0.000 0.531 492 Y N -0.022 120.305 120.300 0.044 0.000 2.274 492 Y HA 0.035 4.585 4.550 -0.000 0.000 0.290 492 Y C 1.817 177.705 175.900 -0.020 0.000 1.145 492 Y CA 1.074 59.205 58.100 0.052 0.000 1.203 492 Y CB 0.118 38.683 38.460 0.175 0.000 0.984 492 Y HN 0.450 nan 8.280 nan 0.000 0.533 493 V N -2.876 117.122 119.914 0.141 0.000 2.555 493 V HA 0.222 4.342 4.120 -0.000 0.000 0.302 493 V C 0.007 176.113 176.094 0.021 0.000 1.038 493 V CA -1.046 61.276 62.300 0.037 0.000 0.887 493 V CB 1.963 33.784 31.823 -0.003 0.000 0.991 493 V HN 0.059 nan 8.190 nan 0.000 0.434 494 D N 2.601 123.001 120.400 -0.000 0.000 2.312 494 D HA 0.293 4.933 4.640 -0.000 0.000 0.211 494 D C 0.705 177.011 176.300 0.009 0.000 0.964 494 D CA 1.780 55.787 54.000 0.011 0.000 0.877 494 D CB 0.971 41.777 40.800 0.011 0.000 0.924 494 D HN 0.980 nan 8.370 nan 0.000 0.515 495 A N -0.162 122.646 122.820 -0.020 0.000 2.590 495 A HA 0.413 4.733 4.320 -0.000 0.000 0.294 495 A C -1.436 176.115 177.584 -0.055 0.000 1.046 495 A CA -0.633 51.389 52.037 -0.024 0.000 0.684 495 A CB 1.267 20.253 19.000 -0.025 0.000 1.279 495 A HN -0.105 nan 8.150 nan 0.000 0.415 496 V N 2.916 122.816 119.914 -0.023 0.000 2.347 496 V HA 0.557 4.677 4.120 -0.000 0.000 0.280 496 V C 0.116 176.211 176.094 0.000 0.000 1.021 496 V CA -0.101 62.181 62.300 -0.031 0.000 0.847 496 V CB 0.697 32.497 31.823 -0.038 0.000 0.990 496 V HN 0.848 nan 8.190 nan 0.000 0.444 497 I N 1.779 122.348 120.570 -0.003 0.000 2.910 497 I HA 0.663 4.832 4.170 -0.000 0.000 0.310 497 I C -0.162 175.931 176.117 -0.041 0.000 1.043 497 I CA -1.047 60.242 61.300 -0.017 0.000 1.053 497 I CB 1.886 39.810 38.000 -0.127 0.000 1.242 497 I HN 0.300 nan 8.210 nan 0.000 0.452 498 M N 3.087 122.645 119.600 -0.070 0.000 2.228 498 M HA 0.241 4.721 4.480 -0.000 0.000 0.351 498 M C -1.701 174.370 176.300 -0.381 0.000 1.233 498 M CA -1.733 53.456 55.300 -0.184 0.000 1.129 498 M CB 0.451 32.986 32.600 -0.108 0.000 1.604 498 M HN 0.436 nan 8.290 nan 0.000 0.457 499 P HA -0.159 nan 4.420 nan 0.000 0.216 499 P C 1.272 178.243 177.300 -0.548 0.000 1.153 499 P CA 1.746 64.013 63.100 -1.389 0.000 0.858 499 P CB 0.032 30.724 31.700 -1.679 0.000 0.789 500 S N -1.772 113.728 115.700 -0.334 0.000 2.469 500 S HA -0.125 4.345 4.470 -0.000 0.000 0.238 500 S C 1.266 175.857 174.600 -0.015 0.000 0.998 500 S CA 1.184 59.305 58.200 -0.131 0.000 0.957 500 S CB -0.929 62.210 63.200 -0.102 0.000 0.764 500 S HN 0.109 nan 8.310 nan 0.000 0.514 501 D N 1.115 121.521 120.400 0.010 0.000 2.340 501 D HA 0.166 4.806 4.640 -0.000 0.000 0.217 501 D C 1.215 177.671 176.300 0.259 0.000 1.081 501 D CA 0.297 54.378 54.000 0.135 0.000 0.842 501 D CB 0.010 40.921 40.800 0.185 0.000 0.934 501 D HN 0.380 nan 8.370 nan 0.000 0.511 502 T N 0.381 115.076 114.554 0.235 0.000 2.708 502 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 502 T C 1.967 176.840 174.700 0.288 0.000 1.037 502 T CA 0.900 63.201 62.100 0.335 0.000 1.146 502 T CB 0.168 69.332 68.868 0.493 0.000 0.865 502 T HN 0.177 nan 8.240 nan 0.000 0.435 503 R N 0.862 121.504 120.500 0.237 0.000 2.091 503 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 503 R C 2.625 179.014 176.300 0.149 0.000 1.136 503 R CA 1.514 57.730 56.100 0.193 0.000 0.959 503 R CB -0.163 30.235 30.300 0.162 0.000 0.856 503 R HN 0.263 nan 8.270 nan 0.000 0.437 504 R N -0.696 119.877 120.500 0.122 0.000 2.081 504 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 504 R C 2.163 178.469 176.300 0.010 0.000 1.131 504 R CA 1.800 57.926 56.100 0.044 0.000 0.960 504 R CB -0.309 29.989 30.300 -0.004 0.000 0.856 504 R HN 0.456 nan 8.270 nan 0.000 0.436 505 H N 0.113 119.226 119.070 0.073 0.000 2.357 505 H HA -0.086 4.470 4.556 -0.000 0.000 0.301 505 H C 2.234 177.596 175.328 0.057 0.000 1.082 505 H CA 1.848 57.934 56.048 0.062 0.000 1.342 505 H CB 0.002 29.807 29.762 0.071 0.000 1.389 505 H HN 0.270 nan 8.280 nan 0.000 0.511 506 I N 0.109 120.794 120.570 0.192 0.000 2.202 506 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 506 I C 2.541 178.718 176.117 0.100 0.000 1.091 506 I CA 0.675 62.054 61.300 0.130 0.000 1.368 506 I CB -0.196 37.890 38.000 0.144 0.000 1.058 506 I HN 0.000 nan 8.210 nan 0.000 0.410 507 V N 2.014 121.985 119.914 0.094 0.000 2.261 507 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 507 V C 2.737 178.860 176.094 0.048 0.000 1.047 507 V CA 2.283 64.625 62.300 0.071 0.000 1.015 507 V CB -0.940 30.920 31.823 0.063 0.000 0.642 507 V HN 0.538 nan 8.190 nan 0.000 0.446 508 R N 1.104 121.620 120.500 0.027 0.000 2.092 508 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 508 R C 2.227 178.542 176.300 0.025 0.000 1.119 508 R CA 1.974 58.079 56.100 0.008 0.000 0.970 508 R CB -1.173 29.105 30.300 -0.036 0.000 0.864 508 R HN 0.438 nan 8.270 nan 0.000 0.440 509 G N 2.156 110.983 108.800 0.045 0.000 2.433 509 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.216 509 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.216 509 G C 1.726 176.651 174.900 0.043 0.000 1.186 509 G CA 0.785 45.916 45.100 0.051 0.000 0.779 509 G HN 0.232 nan 8.290 nan 0.000 0.543 510 L N -0.163 121.090 121.223 0.050 0.000 2.131 510 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 510 L C 3.169 180.063 176.870 0.041 0.000 1.092 510 L CA 0.840 55.709 54.840 0.050 0.000 0.759 510 L CB -0.313 41.784 42.059 0.064 0.000 0.903 510 L HN 0.176 nan 8.230 nan 0.000 0.435 511 R N -0.477 120.045 120.500 0.037 0.000 2.091 511 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 511 R C 2.356 178.670 176.300 0.024 0.000 1.136 511 R CA 1.330 57.448 56.100 0.030 0.000 0.959 511 R CB -0.213 30.102 30.300 0.025 0.000 0.856 511 R HN 0.475 nan 8.270 nan 0.000 0.437 512 Q N -0.042 119.772 119.800 0.023 0.000 2.096 512 Q HA -0.057 4.283 4.340 -0.000 0.000 0.197 512 Q C 2.000 178.012 176.000 0.019 0.000 0.964 512 Q CA 0.799 56.614 55.803 0.019 0.000 0.838 512 Q CB 0.005 28.754 28.738 0.019 0.000 0.906 512 Q HN 0.199 nan 8.270 nan 0.000 0.444 513 L N 1.462 122.699 121.223 0.023 0.000 2.376 513 L HA -0.101 4.239 4.340 -0.000 0.000 0.219 513 L C 2.350 179.233 176.870 0.023 0.000 1.133 513 L CA 1.290 56.143 54.840 0.021 0.000 0.816 513 L CB -0.662 41.411 42.059 0.024 0.000 0.933 513 L HN 0.247 nan 8.230 nan 0.000 0.449 514 R N -0.622 119.894 120.500 0.026 0.000 2.200 514 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 514 R C 1.300 177.611 176.300 0.019 0.000 1.127 514 R CA 1.698 57.814 56.100 0.026 0.000 0.989 514 R CB -1.239 29.076 30.300 0.026 0.000 0.869 514 R HN 0.434 nan 8.270 nan 0.000 0.459 515 T N -1.777 112.786 114.554 0.015 0.000 3.206 515 T HA 0.136 4.486 4.350 -0.000 0.000 0.253 515 T C 0.339 175.045 174.700 0.009 0.000 1.042 515 T CA -0.649 61.458 62.100 0.011 0.000 0.931 515 T CB 0.096 68.969 68.868 0.009 0.000 1.029 515 T HN 0.247 nan 8.240 nan 0.000 0.564 516 K N 2.056 122.462 120.400 0.011 0.000 2.451 516 K HA 0.091 4.411 4.320 -0.000 0.000 0.280 516 K C -0.488 176.114 176.600 0.004 0.000 1.020 516 K CA -0.043 56.249 56.287 0.008 0.000 1.008 516 K CB 0.375 32.880 32.500 0.009 0.000 0.917 516 K HN 0.332 nan 8.250 nan 0.000 0.478 517 R N 3.911 124.412 120.500 0.001 0.000 2.435 517 R HA 0.285 4.625 4.340 -0.000 0.000 0.308 517 R C -0.985 175.312 176.300 -0.005 0.000 0.975 517 R CA -0.795 55.304 56.100 -0.002 0.000 0.867 517 R CB 1.606 31.904 30.300 -0.002 0.000 1.171 517 R HN 0.620 nan 8.270 nan 0.000 0.470 518 E N 1.200 121.395 120.200 -0.008 0.000 2.390 518 E HA 0.417 4.767 4.350 -0.000 0.000 0.277 518 E C -1.179 175.411 176.600 -0.016 0.000 0.939 518 E CA -0.608 55.785 56.400 -0.013 0.000 0.769 518 E CB 2.586 32.277 29.700 -0.014 0.000 1.251 518 E HN 0.632 nan 8.360 nan 0.000 0.450 519 S N 0.560 116.248 115.700 -0.020 0.000 2.537 519 S HA 0.615 5.085 4.470 -0.000 0.000 0.270 519 S C -0.514 174.068 174.600 -0.029 0.000 1.142 519 S CA -0.888 57.298 58.200 -0.023 0.000 0.870 519 S CB 0.885 64.073 63.200 -0.020 0.000 1.112 519 S HN 0.349 nan 8.310 nan 0.000 0.466 520 L N 0.931 122.134 121.223 -0.033 0.000 2.469 520 L HA 0.547 4.887 4.340 -0.000 0.000 0.253 520 L C -2.098 174.752 176.870 -0.033 0.000 1.143 520 L CA -2.281 52.535 54.840 -0.040 0.000 0.804 520 L CB -0.218 41.810 42.059 -0.052 0.000 1.214 520 L HN 0.467 nan 8.230 nan 0.000 0.476 521 P HA 0.088 nan 4.420 nan 0.000 0.267 521 P C -2.410 174.873 177.300 -0.028 0.000 1.200 521 P CA -0.684 62.399 63.100 -0.029 0.000 0.772 521 P CB -0.287 31.395 31.700 -0.030 0.000 0.855 522 P HA 0.084 nan 4.420 nan 0.000 0.265 522 P C -0.734 176.545 177.300 -0.035 0.000 1.193 522 P CA 0.305 63.388 63.100 -0.027 0.000 0.765 522 P CB 0.538 32.223 31.700 -0.025 0.000 0.823 523 K N 0.356 120.732 120.400 -0.040 0.000 2.660 523 K HA 0.279 4.599 4.320 -0.000 0.000 0.285 523 K C 0.172 176.726 176.600 -0.077 0.000 0.997 523 K CA -1.070 55.178 56.287 -0.066 0.000 0.861 523 K CB 0.947 33.410 32.500 -0.062 0.000 1.469 523 K HN -0.053 nan 8.250 nan 0.000 0.395 524 K N -0.014 120.297 120.400 -0.148 0.000 2.057 524 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 524 K C -0.004 176.568 176.600 -0.047 0.000 1.050 524 K CA 2.077 58.286 56.287 -0.130 0.000 0.935 524 K CB -0.305 32.062 32.500 -0.221 0.000 0.715 524 K HN 0.827 nan 8.250 nan 0.000 0.439 525 H N -4.431 114.644 119.070 0.008 0.000 2.894 525 H HA 0.361 4.917 4.556 -0.000 0.000 0.282 525 H C -0.320 175.041 175.328 0.055 0.000 1.448 525 H CA -0.676 55.385 56.048 0.022 0.000 1.158 525 H CB 0.188 29.954 29.762 0.007 0.000 1.818 525 H HN 0.029 nan 8.280 nan 0.000 0.493 526 G N -1.014 107.979 108.800 0.322 0.000 2.563 526 G HA2 0.263 4.223 3.960 -0.000 0.000 0.283 526 G HA3 0.263 4.223 3.960 -0.000 0.000 0.283 526 G C -0.535 174.566 174.900 0.335 0.000 1.309 526 G CA -0.591 44.718 45.100 0.347 0.000 1.022 526 G HN 0.888 nan 8.290 nan 0.000 0.501 527 N N -0.536 118.306 118.700 0.235 0.000 2.644 527 N HA 0.151 4.891 4.740 -0.000 0.000 0.313 527 N C 0.095 175.527 175.510 -0.129 0.000 1.863 527 N CA -0.458 52.640 53.050 0.080 0.000 0.918 527 N CB 0.330 38.877 38.487 0.100 0.000 1.320 527 N HN 0.427 nan 8.380 nan 0.000 0.490 528 I N 1.491 121.746 120.570 -0.526 0.000 2.880 528 I HA 0.029 4.199 4.170 -0.000 0.000 0.296 528 I C -1.972 173.888 176.117 -0.428 0.000 1.220 528 I CA -1.012 59.666 61.300 -1.037 0.000 1.435 528 I CB 0.760 37.985 38.000 -1.292 0.000 1.339 528 I HN 0.210 nan 8.210 nan 0.000 0.583 529 P HA 0.099 nan 4.420 nan 0.000 0.266 529 P C -0.945 176.273 177.300 -0.136 0.000 1.195 529 P CA -0.053 62.963 63.100 -0.140 0.000 0.768 529 P CB 0.601 32.258 31.700 -0.073 0.000 0.838 530 L N 0.000 121.168 121.223 -0.091 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.794 54.840 -0.077 0.000 0.813 530 L CB 0.000 42.010 42.059 -0.082 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502