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 3ib9_1_A 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 AYLVMGSKHL 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 0.000 176.287 176.300 -0.022 0.000 2.045 10 D CA 0.000 54.005 54.000 0.008 0.000 0.868 10 D CB 0.000 40.801 40.800 0.002 0.000 0.688 11 I N -0.314 120.228 120.570 -0.046 0.000 4.046 11 I HA 0.234 4.404 4.170 0.000 0.000 0.285 11 I C 1.104 177.122 176.117 -0.165 0.000 1.183 11 I CA 0.655 61.872 61.300 -0.139 0.000 1.337 11 I CB 0.055 37.913 38.000 -0.236 0.000 1.478 11 I HN -0.042 nan 8.210 nan 0.000 0.452 12 H N 1.177 120.241 119.070 -0.010 0.000 2.562 12 H HA 0.168 4.724 4.556 -0.000 0.000 0.272 12 H C 0.177 175.500 175.328 -0.008 0.000 1.019 12 H CA 1.032 57.075 56.048 -0.009 0.000 1.160 12 H CB -0.661 29.096 29.762 -0.007 0.000 1.334 12 H HN 0.345 nan 8.280 nan 0.000 0.611 13 T N -2.841 111.752 114.554 0.065 0.000 2.841 13 T HA 0.177 4.527 4.350 0.000 0.000 0.283 13 T C 1.316 176.024 174.700 0.014 0.000 1.000 13 T CA -0.652 61.474 62.100 0.042 0.000 0.977 13 T CB 2.127 71.017 68.868 0.037 0.000 0.979 13 T HN -0.088 nan 8.240 nan 0.000 0.446 14 T N 2.865 117.427 114.554 0.013 0.000 2.649 14 T HA -0.199 4.151 4.350 0.000 0.000 0.268 14 T C 2.342 177.040 174.700 -0.003 0.000 1.036 14 T CA 2.194 64.296 62.100 0.004 0.000 1.157 14 T CB -0.808 68.064 68.868 0.006 0.000 0.861 14 T HN 0.909 nan 8.240 nan 0.000 0.445 15 A N 1.222 124.042 122.820 -0.001 0.000 1.908 15 A HA 0.067 4.387 4.320 0.000 0.000 0.218 15 A C 2.669 180.246 177.584 -0.011 0.000 1.181 15 A CA 1.985 54.020 52.037 -0.004 0.000 0.627 15 A CB -1.377 17.623 19.000 -0.000 0.000 0.818 15 A HN 0.543 nan 8.150 nan 0.000 0.445 16 G N -0.370 108.423 108.800 -0.013 0.000 2.432 16 G HA2 -0.204 3.756 3.960 0.000 0.000 0.219 16 G HA3 -0.204 3.756 3.960 0.000 0.000 0.219 16 G C 1.553 176.428 174.900 -0.041 0.000 1.135 16 G CA 1.102 46.186 45.100 -0.026 0.000 0.767 16 G HN 0.623 nan 8.290 nan 0.000 0.550 17 K N -0.148 120.230 120.400 -0.038 0.000 2.400 17 K HA 0.329 4.649 4.320 0.000 0.000 0.194 17 K C 2.081 178.657 176.600 -0.040 0.000 1.033 17 K CA -0.074 56.184 56.287 -0.048 0.000 1.021 17 K CB 0.102 32.578 32.500 -0.041 0.000 0.808 17 K HN 0.244 nan 8.250 nan 0.000 0.505 18 L N 0.083 121.290 121.223 -0.027 0.000 2.162 18 L HA 0.046 4.386 4.340 0.000 0.000 0.205 18 L C 2.204 179.060 176.870 -0.024 0.000 1.086 18 L CA 0.731 55.559 54.840 -0.020 0.000 0.778 18 L CB -0.297 41.756 42.059 -0.010 0.000 0.928 18 L HN 0.148 nan 8.230 nan 0.000 0.446 19 A N -0.769 122.036 122.820 -0.026 0.000 2.251 19 A HA -0.136 4.184 4.320 0.000 0.000 0.209 19 A C 1.699 179.261 177.584 -0.038 0.000 1.187 19 A CA 0.949 52.971 52.037 -0.025 0.000 0.823 19 A CB -0.311 18.678 19.000 -0.019 0.000 0.846 19 A HN 0.360 nan 8.150 nan 0.000 0.486 20 D N -0.209 120.158 120.400 -0.054 0.000 2.137 20 D HA -0.105 4.535 4.640 0.000 0.000 0.202 20 D C 1.643 177.881 176.300 -0.103 0.000 0.970 20 D CA 1.165 55.118 54.000 -0.079 0.000 0.837 20 D CB -0.077 40.666 40.800 -0.095 0.000 0.981 20 D HN 0.315 nan 8.370 nan 0.000 0.475 21 L N -0.302 120.866 121.223 -0.093 0.000 2.599 21 L HA 0.266 4.606 4.340 0.000 0.000 0.230 21 L C 1.642 178.496 176.870 -0.026 0.000 1.141 21 L CA 0.781 55.559 54.840 -0.103 0.000 0.877 21 L CB -0.094 41.927 42.059 -0.062 0.000 1.009 21 L HN -0.114 nan 8.230 nan 0.000 0.447 22 R N -0.645 119.843 120.500 -0.019 0.000 2.161 22 R HA 0.025 4.365 4.340 0.000 0.000 0.213 22 R C 2.204 178.507 176.300 0.005 0.000 1.055 22 R CA 0.819 56.923 56.100 0.008 0.000 0.996 22 R CB -0.158 30.145 30.300 0.006 0.000 0.901 22 R HN 0.386 nan 8.270 nan 0.000 0.456 23 R N 1.196 121.680 120.500 -0.027 0.000 2.073 23 R HA -0.040 4.300 4.340 0.000 0.000 0.229 23 R C 1.727 178.009 176.300 -0.029 0.000 1.120 23 R CA 1.245 57.332 56.100 -0.023 0.000 0.967 23 R CB 0.126 30.404 30.300 -0.036 0.000 0.862 23 R HN 0.074 nan 8.270 nan 0.000 0.436 24 R N -0.088 120.341 120.500 -0.119 0.000 2.276 24 R HA 0.108 4.448 4.340 0.000 0.000 0.196 24 R C 2.093 178.380 176.300 -0.022 0.000 0.961 24 R CA 0.437 56.384 56.100 -0.255 0.000 1.024 24 R CB 0.086 29.964 30.300 -0.702 0.000 0.940 24 R HN 0.310 nan 8.270 nan 0.000 0.480 25 I N 0.637 121.285 120.570 0.131 0.000 2.286 25 I HA -0.201 3.969 4.170 0.000 0.000 0.245 25 I C 2.370 178.582 176.117 0.158 0.000 1.104 25 I CA 1.085 62.519 61.300 0.224 0.000 1.397 25 I CB -0.039 38.054 38.000 0.155 0.000 1.072 25 I HN 0.068 nan 8.210 nan 0.000 0.417 26 E N 1.464 121.747 120.200 0.138 0.000 2.077 26 E HA -0.234 4.116 4.350 0.000 0.000 0.193 26 E C 1.951 178.710 176.600 0.264 0.000 0.989 26 E CA 1.565 58.085 56.400 0.200 0.000 0.800 26 E CB -0.008 29.757 29.700 0.108 0.000 0.746 26 E HN 0.410 nan 8.360 nan 0.000 0.452 27 E N -0.634 119.674 120.200 0.181 0.000 2.152 27 E HA -0.074 4.276 4.350 0.000 0.000 0.192 27 E C 1.872 178.635 176.600 0.273 0.000 0.983 27 E CA 0.733 57.262 56.400 0.215 0.000 0.818 27 E CB -0.052 29.777 29.700 0.215 0.000 0.758 27 E HN 0.354 nan 8.360 nan 0.000 0.467 28 A N 1.086 124.057 122.820 0.251 0.000 1.898 28 A HA -0.117 4.203 4.320 0.000 0.000 0.214 28 A C 2.405 180.066 177.584 0.128 0.000 1.183 28 A CA 1.636 53.826 52.037 0.254 0.000 0.622 28 A CB -0.758 18.383 19.000 0.235 0.000 0.824 28 A HN 0.338 nan 8.150 nan 0.000 0.444 29 T N -3.391 111.199 114.554 0.060 0.000 3.035 29 T HA -0.052 4.298 4.350 0.000 0.000 0.268 29 T C 0.933 175.471 174.700 -0.269 0.000 1.109 29 T CA 1.226 63.258 62.100 -0.113 0.000 1.119 29 T CB -0.434 68.318 68.868 -0.193 0.000 0.900 29 T HN 0.595 nan 8.240 nan 0.000 0.503 30 H N 0.043 119.151 119.070 0.063 0.000 2.467 30 H HA 0.641 5.197 4.556 -0.000 0.000 0.275 30 H C 1.907 177.257 175.328 0.037 0.000 1.131 30 H CA 0.015 56.089 56.048 0.043 0.000 0.989 30 H CB 0.226 30.011 29.762 0.039 0.000 1.696 30 H HN 0.426 nan 8.280 nan 0.000 0.574 31 A N 1.117 124.001 122.820 0.106 0.000 1.903 31 A HA -0.115 4.205 4.320 0.000 0.000 0.219 31 A C 1.812 179.397 177.584 0.002 0.000 1.191 31 A CA 1.469 53.545 52.037 0.065 0.000 0.638 31 A CB -0.805 18.221 19.000 0.044 0.000 0.823 31 A HN 0.425 nan 8.150 nan 0.000 0.451 32 G N -0.253 108.542 108.800 -0.008 0.000 2.432 32 G HA2 0.429 4.389 3.960 0.000 0.000 0.257 32 G HA3 0.429 4.389 3.960 0.000 0.000 0.257 32 G C 0.324 175.216 174.900 -0.012 0.000 1.238 32 G CA 0.435 45.508 45.100 -0.045 0.000 0.838 32 G HN 0.872 nan 8.290 nan 0.000 0.547 33 S N 0.615 116.292 115.700 -0.037 0.000 2.614 33 S HA 0.453 4.923 4.470 0.000 0.000 0.265 33 S C 1.264 175.862 174.600 -0.004 0.000 1.303 33 S CA 0.108 58.297 58.200 -0.018 0.000 1.000 33 S CB 1.655 64.835 63.200 -0.033 0.000 0.935 33 S HN 1.268 nan 8.310 nan 0.000 0.551 34 A N 0.916 123.740 122.820 0.007 0.000 2.302 34 A HA 0.217 4.537 4.320 0.000 0.000 0.219 34 A C 1.949 179.542 177.584 0.016 0.000 1.243 34 A CA 0.359 52.407 52.037 0.018 0.000 0.856 34 A CB -0.635 18.377 19.000 0.020 0.000 0.893 34 A HN 0.965 nan 8.150 nan 0.000 0.491 35 R N -1.107 119.397 120.500 0.007 0.000 2.175 35 R HA 0.288 4.628 4.340 0.000 0.000 0.202 35 R C 1.885 178.188 176.300 0.005 0.000 1.018 35 R CA 1.223 57.329 56.100 0.010 0.000 1.029 35 R CB -0.334 29.970 30.300 0.006 0.000 0.959 35 R HN 0.204 nan 8.270 nan 0.000 0.480 36 A N 0.834 123.648 122.820 -0.009 0.000 1.969 36 A HA 0.001 4.321 4.320 0.000 0.000 0.218 36 A C 2.097 179.672 177.584 -0.016 0.000 1.169 36 A CA 1.307 53.335 52.037 -0.015 0.000 0.635 36 A CB -0.329 18.644 19.000 -0.045 0.000 0.810 36 A HN 0.180 nan 8.150 nan 0.000 0.445 37 V N -0.095 119.798 119.914 -0.035 0.000 2.453 37 V HA -0.200 3.920 4.120 0.000 0.000 0.247 37 V C 2.321 178.341 176.094 -0.123 0.000 1.048 37 V CA 2.029 64.265 62.300 -0.107 0.000 1.049 37 V CB -0.663 31.111 31.823 -0.081 0.000 0.672 37 V HN 0.613 nan 8.190 nan 0.000 0.457 38 E N -0.050 120.149 120.200 -0.003 0.000 2.150 38 E HA -0.237 4.113 4.350 0.000 0.000 0.193 38 E C 2.254 178.891 176.600 0.062 0.000 0.985 38 E CA 1.072 57.512 56.400 0.067 0.000 0.814 38 E CB -0.068 29.671 29.700 0.066 0.000 0.752 38 E HN 0.497 nan 8.360 nan 0.000 0.466 39 K N 0.919 121.341 120.400 0.038 0.000 2.057 39 K HA -0.245 4.075 4.320 0.000 0.000 0.206 39 K C 2.245 178.880 176.600 0.059 0.000 1.050 39 K CA 1.427 57.745 56.287 0.052 0.000 0.935 39 K CB 0.074 32.607 32.500 0.055 0.000 0.715 39 K HN -0.073 nan 8.250 nan 0.000 0.439 40 Q N 0.056 119.873 119.800 0.029 0.000 2.084 40 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 40 Q C 1.572 177.586 176.000 0.024 0.000 0.978 40 Q CA 1.939 57.748 55.803 0.010 0.000 0.844 40 Q CB -0.161 28.551 28.738 -0.044 0.000 0.898 40 Q HN 0.567 nan 8.270 nan 0.000 0.426 41 H N -1.153 117.938 119.070 0.035 0.000 2.387 41 H HA -0.013 4.543 4.556 0.000 0.000 0.299 41 H C 1.708 177.046 175.328 0.017 0.000 1.090 41 H CA 0.683 56.744 56.048 0.022 0.000 1.332 41 H CB 0.077 29.852 29.762 0.022 0.000 1.386 41 H HN 0.446 nan 8.280 nan 0.000 0.516 42 A N 0.562 123.469 122.820 0.145 0.000 2.121 42 A HA -0.109 4.211 4.320 0.000 0.000 0.218 42 A C 1.855 179.475 177.584 0.059 0.000 1.154 42 A CA 1.138 53.225 52.037 0.085 0.000 0.679 42 A CB -0.061 18.979 19.000 0.067 0.000 0.795 42 A HN 0.209 nan 8.150 nan 0.000 0.458 43 K N -1.393 119.041 120.400 0.056 0.000 2.410 43 K HA 0.300 4.620 4.320 0.000 0.000 0.200 43 K C 0.958 177.574 176.600 0.026 0.000 1.023 43 K CA 0.602 56.907 56.287 0.029 0.000 1.149 43 K CB 0.028 32.532 32.500 0.007 0.000 0.859 43 K HN 0.542 nan 8.250 nan 0.000 0.514 44 G N 1.274 110.104 108.800 0.049 0.000 2.162 44 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 44 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 44 G C -0.262 174.665 174.900 0.044 0.000 0.976 44 G CA 0.480 45.605 45.100 0.042 0.000 0.655 44 G HN 0.304 nan 8.290 nan 0.000 0.533 45 K N -0.404 120.025 120.400 0.050 0.000 2.087 45 K HA 0.754 5.074 4.320 0.000 0.000 0.255 45 K C 0.723 177.379 176.600 0.094 0.000 0.988 45 K CA -0.752 55.554 56.287 0.032 0.000 0.915 45 K CB 1.232 33.715 32.500 -0.028 0.000 1.043 45 K HN 0.185 nan 8.250 nan 0.000 0.457 46 L N 0.479 121.741 121.223 0.064 0.000 2.400 46 L HA 0.381 4.721 4.340 0.000 0.000 0.264 46 L C 0.668 177.549 176.870 0.018 0.000 1.061 46 L CA -0.898 53.994 54.840 0.085 0.000 0.799 46 L CB 1.385 43.482 42.059 0.063 0.000 1.240 46 L HN 0.736 nan 8.230 nan 0.000 0.461 47 T N -1.990 112.565 114.554 0.003 0.000 2.909 47 T HA 0.445 4.795 4.350 0.000 0.000 0.286 47 T C 0.995 175.693 174.700 -0.003 0.000 1.002 47 T CA -0.145 61.942 62.100 -0.022 0.000 1.074 47 T CB 1.728 70.559 68.868 -0.061 0.000 0.984 47 T HN 0.658 nan 8.240 nan 0.000 0.495 48 A N 2.746 125.575 122.820 0.014 0.000 1.948 48 A HA -0.123 4.197 4.320 0.000 0.000 0.220 48 A C 2.531 180.096 177.584 -0.032 0.000 1.177 48 A CA 1.423 53.471 52.037 0.019 0.000 0.636 48 A CB -0.704 18.339 19.000 0.072 0.000 0.815 48 A HN 0.932 nan 8.150 nan 0.000 0.449 49 R N -0.423 120.051 120.500 -0.044 0.000 2.081 49 R HA -0.136 4.204 4.340 0.000 0.000 0.235 49 R C 1.959 178.193 176.300 -0.109 0.000 1.131 49 R CA 1.561 57.604 56.100 -0.095 0.000 0.960 49 R CB -0.426 29.828 30.300 -0.077 0.000 0.856 49 R HN 0.698 nan 8.270 nan 0.000 0.436 50 E N 0.230 120.397 120.200 -0.056 0.000 2.268 50 E HA -0.149 4.201 4.350 0.000 0.000 0.195 50 E C 2.054 178.622 176.600 -0.053 0.000 0.995 50 E CA 0.719 57.097 56.400 -0.037 0.000 0.836 50 E CB 0.020 29.733 29.700 0.022 0.000 0.763 50 E HN 0.235 nan 8.360 nan 0.000 0.491 51 R N 0.485 120.949 120.500 -0.060 0.000 2.062 51 R HA -0.030 4.310 4.340 0.000 0.000 0.229 51 R C 2.317 178.543 176.300 -0.123 0.000 1.128 51 R CA 1.016 57.074 56.100 -0.070 0.000 0.960 51 R CB -0.124 30.144 30.300 -0.052 0.000 0.855 51 R HN 0.138 nan 8.270 nan 0.000 0.432 52 I N 0.652 121.108 120.570 -0.191 0.000 2.226 52 I HA -0.278 3.892 4.170 0.000 0.000 0.245 52 I C 1.607 177.536 176.117 -0.313 0.000 1.100 52 I CA 1.238 62.347 61.300 -0.318 0.000 1.374 52 I CB -0.344 37.318 38.000 -0.563 0.000 1.057 52 I HN 0.165 nan 8.210 nan 0.000 0.413 53 D N 0.876 121.125 120.400 -0.252 0.000 2.097 53 D HA -0.156 4.484 4.640 0.000 0.000 0.195 53 D C 1.994 178.223 176.300 -0.119 0.000 0.989 53 D CA 1.220 55.111 54.000 -0.181 0.000 0.827 53 D CB -0.130 40.597 40.800 -0.120 0.000 0.966 53 D HN 0.079 nan 8.370 nan 0.000 0.456 54 L N 0.152 121.319 121.223 -0.093 0.000 2.362 54 L HA -0.047 4.293 4.340 0.000 0.000 0.219 54 L C 1.906 178.739 176.870 -0.062 0.000 1.134 54 L CA 0.680 55.483 54.840 -0.062 0.000 0.807 54 L CB -0.298 41.735 42.059 -0.042 0.000 0.927 54 L HN 0.097 nan 8.230 nan 0.000 0.447 55 L N -1.253 119.920 121.223 -0.084 0.000 2.034 55 L HA 0.028 4.369 4.340 0.000 0.000 0.203 55 L C 0.809 177.639 176.870 -0.066 0.000 1.074 55 L CA 1.390 56.185 54.840 -0.074 0.000 0.748 55 L CB -0.147 41.857 42.059 -0.091 0.000 0.905 55 L HN -0.057 nan 8.230 nan 0.000 0.439 56 L N 0.747 121.920 121.223 -0.084 0.000 2.375 56 L HA 0.238 4.578 4.340 0.000 0.000 0.271 56 L C -0.406 176.444 176.870 -0.033 0.000 1.107 56 L CA -1.024 53.786 54.840 -0.050 0.000 0.806 56 L CB 0.439 42.465 42.059 -0.055 0.000 1.146 56 L HN 0.098 nan 8.230 nan 0.000 0.447 57 D N 1.878 122.274 120.400 -0.007 0.000 2.458 57 D HA 0.050 4.690 4.640 0.000 0.000 0.243 57 D C -0.125 176.178 176.300 0.004 0.000 1.146 57 D CA 0.054 54.053 54.000 -0.002 0.000 0.877 57 D CB 0.561 41.368 40.800 0.011 0.000 1.176 57 D HN 0.381 nan 8.370 nan 0.000 0.461 58 E N 0.563 120.761 120.200 -0.003 0.000 2.498 58 E HA 0.316 4.666 4.350 0.000 0.000 0.252 58 E C 1.424 178.031 176.600 0.012 0.000 1.025 58 E CA 0.658 57.056 56.400 -0.002 0.000 0.938 58 E CB -0.002 29.695 29.700 -0.006 0.000 0.947 58 E HN 0.677 nan 8.360 nan 0.000 0.478 59 G N 2.352 111.166 108.800 0.023 0.000 2.234 59 G HA2 -0.385 3.575 3.960 0.000 0.000 0.235 59 G HA3 -0.385 3.575 3.960 0.000 0.000 0.235 59 G C 1.358 176.285 174.900 0.045 0.000 0.997 59 G CA 0.527 45.647 45.100 0.033 0.000 0.623 59 G HN 0.632 nan 8.290 nan 0.000 0.514 60 S N 0.013 115.747 115.700 0.057 0.000 2.359 60 S HA 0.130 4.600 4.470 0.000 0.000 0.224 60 S C 1.231 175.866 174.600 0.058 0.000 1.035 60 S CA 0.918 59.158 58.200 0.068 0.000 1.018 60 S CB -0.298 62.954 63.200 0.086 0.000 0.876 60 S HN 1.253 nan 8.310 nan 0.000 0.448 61 F N 3.018 122.899 119.950 -0.116 0.000 2.517 61 F HA 0.166 4.693 4.527 -0.000 0.000 0.398 61 F C -0.303 175.311 175.800 -0.310 0.000 1.005 61 F CA -0.427 57.458 58.000 -0.192 0.000 1.221 61 F CB 0.089 39.002 39.000 -0.146 0.000 0.936 61 F HN 0.021 nan 8.300 nan 0.000 0.557 62 V N 6.758 126.117 119.914 -0.925 0.000 2.398 62 V HA 0.160 4.280 4.120 0.000 0.000 0.282 62 V C -0.254 175.074 176.094 -1.276 0.000 1.014 62 V CA -1.028 60.590 62.300 -1.136 0.000 0.838 62 V CB 1.333 32.325 31.823 -1.386 0.000 1.018 62 V HN 0.718 nan 8.190 nan 0.000 0.432 63 E N 5.246 124.693 120.200 -1.255 0.000 2.289 63 E HA 0.540 4.890 4.350 0.000 0.000 0.278 63 E C -1.247 175.043 176.600 -0.517 0.000 1.032 63 E CA -0.437 55.374 56.400 -0.981 0.000 0.854 63 E CB 0.957 30.192 29.700 -0.775 0.000 1.046 63 E HN 0.623 nan 8.360 nan 0.000 0.409 64 L N 4.023 125.038 121.223 -0.347 0.000 2.334 64 L HA 0.316 4.656 4.340 0.000 0.000 0.276 64 L C -0.406 176.373 176.870 -0.151 0.000 1.014 64 L CA -0.953 53.755 54.840 -0.220 0.000 0.815 64 L CB 1.527 43.484 42.059 -0.169 0.000 1.268 64 L HN 0.663 nan 8.230 nan 0.000 0.428 65 D N 1.221 121.548 120.400 -0.121 0.000 2.697 65 D HA -0.212 4.428 4.640 0.000 0.000 0.238 65 D C 0.918 177.162 176.300 -0.093 0.000 1.152 65 D CA 1.100 55.061 54.000 -0.066 0.000 0.666 65 D CB -0.502 40.286 40.800 -0.021 0.000 1.037 65 D HN 0.790 nan 8.370 nan 0.000 0.423 66 E N -0.936 119.110 120.200 -0.256 0.000 2.285 66 E HA -0.113 4.237 4.350 0.000 0.000 0.194 66 E C 0.731 177.152 176.600 -0.298 0.000 0.997 66 E CA 0.586 56.763 56.400 -0.371 0.000 0.845 66 E CB 0.166 29.461 29.700 -0.674 0.000 0.782 66 E HN 0.215 nan 8.360 nan 0.000 0.491 67 F N 0.537 120.511 119.950 0.039 0.000 2.923 67 F HA 0.412 4.939 4.527 -0.000 0.000 0.314 67 F C 0.306 176.244 175.800 0.230 0.000 1.196 67 F CA -0.828 57.248 58.000 0.127 0.000 1.320 67 F CB 0.083 39.057 39.000 -0.043 0.000 0.953 67 F HN -0.084 nan 8.300 nan 0.000 0.505 68 A N 1.170 124.168 122.820 0.296 0.000 2.407 68 A HA 0.761 5.081 4.320 0.000 0.000 0.248 68 A C 0.401 178.109 177.584 0.207 0.000 1.082 68 A CA -0.202 51.961 52.037 0.210 0.000 0.785 68 A CB 0.475 19.558 19.000 0.138 0.000 1.020 68 A HN 0.503 nan 8.150 nan 0.000 0.489 69 R N 0.822 121.394 120.500 0.120 0.000 2.626 69 R HA 0.304 4.644 4.340 0.000 0.000 0.274 69 R C -0.520 175.792 176.300 0.020 0.000 1.031 69 R CA -0.817 55.302 56.100 0.031 0.000 0.898 69 R CB 1.499 31.742 30.300 -0.096 0.000 1.222 69 R HN 1.034 nan 8.270 nan 0.000 0.455 70 H N 1.591 120.695 119.070 0.056 0.000 2.745 70 H HA 0.227 4.783 4.556 -0.000 0.000 0.373 70 H C -0.435 174.901 175.328 0.013 0.000 1.226 70 H CA -0.091 55.980 56.048 0.038 0.000 1.435 70 H CB 1.234 31.017 29.762 0.035 0.000 1.461 70 H HN 0.594 nan 8.280 nan 0.000 0.616 71 R N 1.040 121.632 120.500 0.153 0.000 2.642 71 R HA 0.136 4.476 4.340 0.000 0.000 0.435 71 R C -0.270 176.125 176.300 0.159 0.000 1.046 71 R CA -0.275 55.865 56.100 0.067 0.000 1.103 71 R CB 0.675 30.988 30.300 0.022 0.000 1.425 71 R HN 0.484 nan 8.270 nan 0.000 0.586 72 S N 1.156 117.079 115.700 0.372 0.000 2.475 72 S HA 0.139 4.609 4.470 0.000 0.000 0.281 72 S C 0.884 175.568 174.600 0.139 0.000 1.198 72 S CA -0.355 57.934 58.200 0.149 0.000 1.063 72 S CB 1.027 64.219 63.200 -0.013 0.000 0.972 72 S HN 0.344 nan 8.310 nan 0.000 0.486 73 T N 1.659 116.242 114.554 0.048 0.000 3.269 73 T HA 0.348 4.698 4.350 0.000 0.000 0.269 73 T C -0.180 174.492 174.700 -0.047 0.000 0.993 73 T CA -0.646 61.466 62.100 0.021 0.000 0.909 73 T CB -0.970 67.903 68.868 0.007 0.000 1.115 73 T HN 0.618 nan 8.240 nan 0.000 0.543 74 N N 1.274 119.933 118.700 -0.069 0.000 2.479 74 N HA 0.486 5.226 4.740 0.000 0.000 0.285 74 N C -0.952 174.527 175.510 -0.051 0.000 1.075 74 N CA -1.021 51.929 53.050 -0.167 0.000 0.967 74 N CB 0.268 38.665 38.487 -0.149 0.000 1.137 74 N HN 0.111 nan 8.380 nan 0.000 0.472 75 F N 1.102 121.023 119.950 -0.049 0.000 3.067 75 F HA -0.187 4.340 4.527 0.000 0.000 0.279 75 F C 1.424 177.192 175.800 -0.053 0.000 0.945 75 F CA 0.709 58.679 58.000 -0.051 0.000 0.948 75 F CB -2.174 36.786 39.000 -0.067 0.000 0.898 75 F HN 0.832 nan 8.300 nan 0.000 0.746 76 G N 0.366 109.207 108.800 0.069 0.000 2.412 76 G HA2 -0.213 3.747 3.960 0.000 0.000 0.297 76 G HA3 -0.213 3.747 3.960 0.000 0.000 0.297 76 G C 0.731 175.657 174.900 0.043 0.000 0.965 76 G CA 0.425 45.556 45.100 0.052 0.000 1.134 76 G HN 0.774 nan 8.290 nan 0.000 0.511 77 L N 0.022 121.244 121.223 -0.001 0.000 2.558 77 L HA 0.232 4.572 4.340 0.000 0.000 0.225 77 L C 1.952 178.826 176.870 0.007 0.000 1.128 77 L CA 1.655 56.420 54.840 -0.125 0.000 0.868 77 L CB 0.088 41.947 42.059 -0.334 0.000 1.006 77 L HN 0.445 nan 8.230 nan 0.000 0.454 78 D N -1.384 119.110 120.400 0.157 0.000 2.325 78 D HA 0.049 4.689 4.640 0.000 0.000 0.225 78 D C 1.540 177.934 176.300 0.156 0.000 1.096 78 D CA 0.683 54.857 54.000 0.289 0.000 0.844 78 D CB 0.374 41.281 40.800 0.178 0.000 0.925 78 D HN 0.320 nan 8.370 nan 0.000 0.513 79 A N 1.086 123.986 122.820 0.134 0.000 1.929 79 A HA -0.065 4.255 4.320 0.000 0.000 0.216 79 A C 0.923 178.576 177.584 0.114 0.000 1.176 79 A CA 0.552 52.648 52.037 0.098 0.000 0.628 79 A CB -0.203 18.846 19.000 0.082 0.000 0.816 79 A HN 0.337 nan 8.150 nan 0.000 0.444 80 N N -0.146 118.673 118.700 0.199 0.000 2.346 80 N HA 0.465 5.205 4.740 0.000 0.000 0.289 80 N C -1.448 174.259 175.510 0.329 0.000 1.027 80 N CA -0.474 52.688 53.050 0.186 0.000 0.864 80 N CB 1.624 40.196 38.487 0.141 0.000 1.370 80 N HN 0.184 nan 8.380 nan 0.000 0.481 81 R N 1.586 122.153 120.500 0.111 0.000 2.505 81 R HA 0.300 4.640 4.340 0.000 0.000 0.284 81 R C -2.415 173.828 176.300 -0.095 0.000 1.324 81 R CA -1.433 54.698 56.100 0.053 0.000 1.432 81 R CB 0.771 30.902 30.300 -0.282 0.000 1.107 81 R HN 0.395 nan 8.270 nan 0.000 0.587 82 P HA -0.135 nan 4.420 nan 0.000 0.265 82 P C -0.693 176.580 177.300 -0.045 0.000 1.193 82 P CA 0.264 63.315 63.100 -0.083 0.000 0.765 82 P CB 0.519 32.145 31.700 -0.124 0.000 0.823 83 Y N 1.416 121.777 120.300 0.102 0.000 2.620 83 Y HA 0.258 4.808 4.550 0.000 0.000 0.330 83 Y C 2.094 178.067 175.900 0.123 0.000 1.186 83 Y CA 1.651 59.842 58.100 0.152 0.000 1.467 83 Y CB 0.080 38.687 38.460 0.245 0.000 1.262 83 Y HN 0.805 nan 8.280 nan 0.000 0.550 84 G N 1.845 110.813 108.800 0.280 0.000 2.308 84 G HA2 -0.350 3.610 3.960 0.000 0.000 0.221 84 G HA3 -0.350 3.610 3.960 0.000 0.000 0.221 84 G C 0.315 175.342 174.900 0.211 0.000 1.032 84 G CA 0.078 45.293 45.100 0.191 0.000 0.623 84 G HN 0.776 nan 8.290 nan 0.000 0.506 85 D N -0.769 119.759 120.400 0.212 0.000 2.699 85 D HA 0.231 4.871 4.640 0.000 0.000 0.239 85 D C 1.632 178.100 176.300 0.280 0.000 1.136 85 D CA 2.984 57.138 54.000 0.257 0.000 0.668 85 D CB -1.327 39.636 40.800 0.271 0.000 1.060 85 D HN 2.212 nan 8.370 nan 0.000 0.429 86 G N -1.567 107.344 108.800 0.186 0.000 2.221 86 G HA2 -0.038 3.922 3.960 0.000 0.000 0.265 86 G HA3 -0.038 3.922 3.960 0.000 0.000 0.265 86 G C 0.207 175.326 174.900 0.365 0.000 1.041 86 G CA 0.580 45.736 45.100 0.094 0.000 0.807 86 G HN 1.354 nan 8.290 nan 0.000 0.502 87 V N -1.157 119.108 119.914 0.585 0.000 3.077 87 V HA 0.640 4.760 4.120 0.000 0.000 0.299 87 V C -0.745 175.492 176.094 0.238 0.000 1.276 87 V CA -0.481 62.130 62.300 0.518 0.000 0.993 87 V CB 2.457 34.364 31.823 0.141 0.000 1.076 87 V HN 0.692 nan 8.190 nan 0.000 0.434 88 V N 5.117 125.154 119.914 0.205 0.000 2.347 88 V HA 0.741 4.861 4.120 0.000 0.000 0.280 88 V C 0.187 176.396 176.094 0.192 0.000 1.021 88 V CA 0.097 62.500 62.300 0.171 0.000 0.847 88 V CB 1.354 33.266 31.823 0.148 0.000 0.990 88 V HN 1.071 nan 8.190 nan 0.000 0.444 89 T N 1.359 116.009 114.554 0.159 0.000 2.900 89 T HA 0.972 5.322 4.350 0.000 0.000 0.295 89 T C -0.016 174.728 174.700 0.073 0.000 1.044 89 T CA -0.000 62.183 62.100 0.138 0.000 0.995 89 T CB 2.340 71.240 68.868 0.055 0.000 1.072 89 T HN 1.267 nan 8.240 nan 0.000 0.473 90 G N 0.696 109.545 108.800 0.082 0.000 2.452 90 G HA2 0.469 4.429 3.960 0.000 0.000 0.224 90 G HA3 0.469 4.429 3.960 0.000 0.000 0.224 90 G C -2.084 172.821 174.900 0.007 0.000 1.208 90 G CA -0.252 44.785 45.100 -0.106 0.000 0.946 90 G HN 1.550 nan 8.290 nan 0.000 0.481 91 Y N -0.814 119.414 120.300 -0.120 0.000 2.534 91 Y HA 0.872 5.422 4.550 -0.000 0.000 0.345 91 Y C 0.222 176.160 175.900 0.063 0.000 1.031 91 Y CA -0.327 57.743 58.100 -0.050 0.000 1.022 91 Y CB 1.553 39.859 38.460 -0.257 0.000 1.292 91 Y HN 1.684 nan 8.280 nan 0.000 0.459 92 G N 0.722 109.726 108.800 0.340 0.000 2.696 92 G HA2 0.538 4.498 3.960 0.000 0.000 0.151 92 G HA3 0.538 4.498 3.960 0.000 0.000 0.151 92 G C -1.368 173.663 174.900 0.217 0.000 1.197 92 G CA -0.355 44.904 45.100 0.266 0.000 1.053 92 G HN 1.233 nan 8.290 nan 0.000 0.546 93 T N -1.965 112.670 114.554 0.135 0.000 2.921 93 T HA 0.634 4.984 4.350 0.000 0.000 0.297 93 T C -1.285 173.443 174.700 0.048 0.000 1.013 93 T CA -0.585 61.569 62.100 0.091 0.000 0.990 93 T CB 1.852 70.766 68.868 0.078 0.000 1.023 93 T HN 0.814 nan 8.240 nan 0.000 0.447 94 V N 3.391 123.322 119.914 0.029 0.000 2.326 94 V HA 0.394 4.514 4.120 0.000 0.000 0.281 94 V C -0.193 175.892 176.094 -0.015 0.000 1.015 94 V CA -0.434 61.864 62.300 -0.003 0.000 0.823 94 V CB 0.634 32.446 31.823 -0.018 0.000 1.009 94 V HN 1.126 nan 8.190 nan 0.000 0.436 95 D N 4.049 124.438 120.400 -0.017 0.000 2.907 95 D HA -0.164 4.476 4.640 0.000 0.000 0.226 95 D C 1.217 177.522 176.300 0.009 0.000 1.141 95 D CA 1.618 55.609 54.000 -0.015 0.000 0.779 95 D CB -1.143 39.635 40.800 -0.035 0.000 1.095 95 D HN 1.394 nan 8.370 nan 0.000 0.430 96 G N 0.166 108.975 108.800 0.015 0.000 2.273 96 G HA2 -0.349 3.611 3.960 0.000 0.000 0.280 96 G HA3 -0.349 3.611 3.960 0.000 0.000 0.280 96 G C 0.079 174.990 174.900 0.020 0.000 1.047 96 G CA 0.714 45.828 45.100 0.023 0.000 0.869 96 G HN 0.560 nan 8.290 nan 0.000 0.502 97 R N -0.001 120.511 120.500 0.021 0.000 2.621 97 R HA 0.515 4.855 4.340 0.000 0.000 0.284 97 R C -2.624 173.702 176.300 0.043 0.000 0.998 97 R CA -2.097 54.014 56.100 0.019 0.000 0.895 97 R CB 2.487 32.787 30.300 -0.000 0.000 1.195 97 R HN 0.109 nan 8.270 nan 0.000 0.450 98 P HA 0.048 nan 4.420 nan 0.000 0.267 98 P C -0.684 176.682 177.300 0.111 0.000 1.200 98 P CA -0.033 63.127 63.100 0.099 0.000 0.772 98 P CB 0.943 32.687 31.700 0.074 0.000 0.855 99 V N 1.182 121.195 119.914 0.166 0.000 2.915 99 V HA 0.431 4.551 4.120 0.000 0.000 0.282 99 V C -0.546 175.674 176.094 0.210 0.000 1.445 99 V CA -0.729 61.666 62.300 0.158 0.000 0.953 99 V CB 1.950 33.828 31.823 0.092 0.000 1.140 99 V HN 0.810 nan 8.190 nan 0.000 0.440 100 A N 3.868 126.829 122.820 0.235 0.000 2.306 100 A HA 0.928 5.248 4.320 0.000 0.000 0.314 100 A C -0.774 176.913 177.584 0.171 0.000 1.164 100 A CA -0.509 51.679 52.037 0.252 0.000 0.822 100 A CB 1.692 20.903 19.000 0.352 0.000 1.130 100 A HN 1.429 nan 8.150 nan 0.000 0.496 101 V N 3.658 123.662 119.914 0.151 0.000 2.808 101 V HA 0.804 4.924 4.120 0.000 0.000 0.308 101 V C -1.479 174.691 176.094 0.128 0.000 1.099 101 V CA -0.845 61.491 62.300 0.059 0.000 0.920 101 V CB 1.630 33.453 31.823 0.000 0.000 1.014 101 V HN 1.102 nan 8.190 nan 0.000 0.425 102 F N 3.633 123.614 119.950 0.051 0.000 2.508 102 F HA 0.882 5.409 4.527 0.000 0.000 0.325 102 F C -0.276 175.547 175.800 0.038 0.000 1.090 102 F CA -0.730 57.286 58.000 0.028 0.000 0.945 102 F CB 2.184 41.171 39.000 -0.021 0.000 1.156 102 F HN 0.430 nan 8.300 nan 0.000 0.463 103 S N 2.719 118.556 115.700 0.227 0.000 2.745 103 S HA 0.291 4.761 4.470 0.000 0.000 0.283 103 S C -0.931 173.851 174.600 0.304 0.000 1.170 103 S CA -0.627 57.672 58.200 0.166 0.000 1.119 103 S CB 0.514 63.737 63.200 0.038 0.000 1.035 103 S HN 0.786 nan 8.310 nan 0.000 0.483 104 Q N 2.361 122.412 119.800 0.418 0.000 2.330 104 Q HA 0.129 4.469 4.340 0.000 0.000 0.279 104 Q C -0.607 175.574 176.000 0.300 0.000 1.024 104 Q CA 0.098 56.186 55.803 0.475 0.000 0.900 104 Q CB 0.524 29.564 28.738 0.504 0.000 1.221 104 Q HN 0.480 nan 8.270 nan 0.000 0.396 105 D N 1.911 122.463 120.400 0.253 0.000 2.427 105 D HA 0.064 4.704 4.640 0.000 0.000 0.226 105 D C -0.390 175.988 176.300 0.130 0.000 1.076 105 D CA -0.399 53.695 54.000 0.157 0.000 0.849 105 D CB 0.457 41.320 40.800 0.105 0.000 1.052 105 D HN 0.462 nan 8.370 nan 0.000 0.515 106 F N 2.458 122.414 119.950 0.011 0.000 2.293 106 F HA -0.129 4.398 4.527 0.000 0.000 0.300 106 F C 2.062 177.845 175.800 -0.028 0.000 1.086 106 F CA 1.119 59.116 58.000 -0.004 0.000 1.375 106 F CB 0.064 39.066 39.000 0.003 0.000 1.045 106 F HN 0.293 nan 8.300 nan 0.000 0.516 107 T N -0.350 114.216 114.554 0.021 0.000 2.788 107 T HA -0.082 4.268 4.350 0.000 0.000 0.268 107 T C 0.799 175.393 174.700 -0.177 0.000 1.044 107 T CA 1.030 63.085 62.100 -0.075 0.000 1.139 107 T CB -0.383 68.462 68.868 -0.039 0.000 0.867 107 T HN -0.143 nan 8.240 nan 0.000 0.454 108 V N 2.949 122.754 119.914 -0.181 0.000 2.348 108 V HA 0.281 4.401 4.120 0.000 0.000 0.270 108 V C -0.208 175.732 176.094 -0.256 0.000 1.037 108 V CA -0.688 61.428 62.300 -0.308 0.000 0.872 108 V CB -0.364 31.312 31.823 -0.245 0.000 1.002 108 V HN 0.468 nan 8.190 nan 0.000 0.464 109 F N 3.566 123.412 119.950 -0.175 0.000 3.091 109 F HA -0.223 4.304 4.527 0.000 0.000 0.288 109 F C 1.672 177.304 175.800 -0.280 0.000 0.907 109 F CA 1.131 59.011 58.000 -0.201 0.000 1.028 109 F CB -1.833 37.055 39.000 -0.187 0.000 1.022 109 F HN 0.891 nan 8.300 nan 0.000 0.665 110 G N -1.078 107.556 108.800 -0.277 0.000 2.186 110 G HA2 0.075 4.035 3.960 0.000 0.000 0.266 110 G HA3 0.075 4.035 3.960 0.000 0.000 0.266 110 G C 1.788 176.326 174.900 -0.603 0.000 0.982 110 G CA 1.305 46.015 45.100 -0.651 0.000 0.670 110 G HN 2.259 nan 8.290 nan 0.000 0.533 111 G N -1.418 107.221 108.800 -0.268 0.000 2.148 111 G HA2 0.165 4.125 3.960 0.000 0.000 0.254 111 G HA3 0.165 4.125 3.960 0.000 0.000 0.254 111 G C 0.780 175.602 174.900 -0.129 0.000 0.981 111 G CA 1.120 46.154 45.100 -0.109 0.000 0.670 111 G HN 2.319 nan 8.290 nan 0.000 0.528 112 A N -0.247 122.502 122.820 -0.118 0.000 2.511 112 A HA 0.588 4.908 4.320 0.000 0.000 0.242 112 A C 0.676 178.134 177.584 -0.210 0.000 1.069 112 A CA 0.324 52.309 52.037 -0.086 0.000 0.763 112 A CB 0.502 19.462 19.000 -0.067 0.000 1.001 112 A HN 1.626 nan 8.150 nan 0.000 0.498 113 L N 3.140 124.303 121.223 -0.101 0.000 2.453 113 L HA 0.555 4.895 4.340 0.000 0.000 0.272 113 L C 0.688 177.478 176.870 -0.132 0.000 1.182 113 L CA 1.258 56.012 54.840 -0.144 0.000 0.858 113 L CB 0.538 42.498 42.059 -0.165 0.000 1.120 113 L HN 0.781 nan 8.230 nan 0.000 0.474 114 G N 2.934 111.691 108.800 -0.072 0.000 3.140 114 G HA2 0.276 4.236 3.960 0.000 0.000 0.271 114 G HA3 0.276 4.236 3.960 0.000 0.000 0.271 114 G C 0.083 174.963 174.900 -0.032 0.000 1.370 114 G CA 0.245 45.306 45.100 -0.065 0.000 1.014 114 G HN 0.737 nan 8.290 nan 0.000 0.541 115 E N -1.092 119.091 120.200 -0.028 0.000 2.007 115 E HA -0.145 4.205 4.350 0.000 0.000 0.194 115 E C 2.435 179.034 176.600 -0.002 0.000 0.999 115 E CA 1.676 58.059 56.400 -0.029 0.000 0.811 115 E CB -0.205 29.488 29.700 -0.012 0.000 0.762 115 E HN 0.155 nan 8.360 nan 0.000 0.450 116 V N 0.562 120.507 119.914 0.051 0.000 2.255 116 V HA -0.268 3.852 4.120 0.000 0.000 0.247 116 V C 2.332 178.471 176.094 0.074 0.000 1.051 116 V CA 2.145 64.486 62.300 0.068 0.000 1.018 116 V CB -0.802 31.090 31.823 0.115 0.000 0.641 116 V HN 0.487 nan 8.190 nan 0.000 0.445 117 Y N 1.770 122.056 120.300 -0.023 0.000 2.632 117 Y HA 0.197 4.747 4.550 -0.000 0.000 0.301 117 Y C 1.887 177.712 175.900 -0.125 0.000 1.172 117 Y CA 0.466 58.543 58.100 -0.039 0.000 1.328 117 Y CB -0.542 37.920 38.460 0.003 0.000 1.016 117 Y HN 0.120 nan 8.280 nan 0.000 0.529 118 G N -0.329 108.427 108.800 -0.075 0.000 2.437 118 G HA2 -0.141 3.819 3.960 0.000 0.000 0.212 118 G HA3 -0.141 3.819 3.960 0.000 0.000 0.212 118 G C 1.365 176.124 174.900 -0.234 0.000 1.174 118 G CA 0.171 45.120 45.100 -0.251 0.000 0.811 118 G HN 0.306 nan 8.290 nan 0.000 0.537 119 Q N 0.479 120.196 119.800 -0.139 0.000 2.436 119 Q HA 0.082 4.422 4.340 0.000 0.000 0.209 119 Q C 2.231 178.173 176.000 -0.098 0.000 0.965 119 Q CA 0.613 56.354 55.803 -0.103 0.000 0.910 119 Q CB -0.002 28.702 28.738 -0.056 0.000 0.980 119 Q HN 0.482 nan 8.270 nan 0.000 0.491 120 K N -0.386 119.936 120.400 -0.129 0.000 2.062 120 K HA 0.021 4.341 4.320 0.000 0.000 0.205 120 K C 1.747 178.253 176.600 -0.156 0.000 1.051 120 K CA 0.807 57.020 56.287 -0.124 0.000 0.941 120 K CB 0.162 32.586 32.500 -0.128 0.000 0.719 120 K HN 0.171 nan 8.250 nan 0.000 0.440 121 I N 0.840 121.244 120.570 -0.278 0.000 3.684 121 I HA -0.108 4.062 4.170 0.000 0.000 0.304 121 I C 1.546 177.548 176.117 -0.192 0.000 1.278 121 I CA 0.119 61.235 61.300 -0.306 0.000 1.272 121 I CB 0.301 37.916 38.000 -0.642 0.000 1.029 121 I HN -0.092 nan 8.210 nan 0.000 0.458 122 V N 0.911 120.738 119.914 -0.145 0.000 2.379 122 V HA -0.211 3.909 4.120 0.000 0.000 0.243 122 V C 2.519 178.606 176.094 -0.013 0.000 1.035 122 V CA 1.596 63.851 62.300 -0.075 0.000 1.035 122 V CB -0.474 31.302 31.823 -0.079 0.000 0.673 122 V HN 0.408 nan 8.190 nan 0.000 0.457 123 K N 0.386 120.778 120.400 -0.014 0.000 2.103 123 K HA -0.185 4.135 4.320 0.000 0.000 0.207 123 K C 1.960 178.611 176.600 0.085 0.000 1.048 123 K CA 1.941 58.245 56.287 0.028 0.000 0.930 123 K CB -0.161 32.341 32.500 0.003 0.000 0.716 123 K HN 0.374 nan 8.250 nan 0.000 0.444 124 V N 1.330 121.285 119.914 0.069 0.000 2.270 124 V HA -0.277 3.843 4.120 0.000 0.000 0.245 124 V C 2.465 178.690 176.094 0.219 0.000 1.043 124 V CA 1.989 64.372 62.300 0.138 0.000 1.014 124 V CB -0.555 31.352 31.823 0.141 0.000 0.645 124 V HN 0.347 nan 8.190 nan 0.000 0.447 125 M N 0.349 120.040 119.600 0.151 0.000 2.082 125 M HA -0.241 4.239 4.480 0.000 0.000 0.258 125 M C 2.050 178.432 176.300 0.138 0.000 1.071 125 M CA 2.209 57.595 55.300 0.143 0.000 1.103 125 M CB -0.806 31.845 32.600 0.086 0.000 1.307 125 M HN 0.306 nan 8.290 nan 0.000 0.409 126 D N -0.296 120.172 120.400 0.114 0.000 2.263 126 D HA -0.129 4.511 4.640 0.000 0.000 0.208 126 D C 1.586 177.958 176.300 0.119 0.000 0.971 126 D CA 1.024 55.079 54.000 0.093 0.000 0.867 126 D CB -0.301 40.540 40.800 0.068 0.000 0.929 126 D HN 0.372 nan 8.370 nan 0.000 0.492 127 F N 0.932 120.896 119.950 0.024 0.000 2.293 127 F HA 0.091 4.618 4.527 -0.000 0.000 0.297 127 F C 2.069 177.879 175.800 0.016 0.000 1.089 127 F CA 0.890 58.899 58.000 0.014 0.000 1.377 127 F CB 0.133 39.146 39.000 0.021 0.000 1.051 127 F HN -0.080 nan 8.300 nan 0.000 0.511 128 A N 0.780 123.702 122.820 0.170 0.000 1.841 128 A HA -0.120 4.200 4.320 0.000 0.000 0.214 128 A C 2.038 179.597 177.584 -0.042 0.000 1.195 128 A CA 1.527 53.599 52.037 0.058 0.000 0.611 128 A CB -1.319 17.783 19.000 0.171 0.000 0.835 128 A HN 0.401 nan 8.150 nan 0.000 0.443 129 L N 0.312 121.542 121.223 0.012 0.000 2.051 129 L HA -0.221 4.119 4.340 0.000 0.000 0.214 129 L C 2.363 179.199 176.870 -0.057 0.000 1.076 129 L CA 2.524 57.364 54.840 -0.001 0.000 0.758 129 L CB -0.773 41.308 42.059 0.036 0.000 0.890 129 L HN 0.550 nan 8.230 nan 0.000 0.433 130 K N -1.235 119.104 120.400 -0.100 0.000 2.002 130 K HA -0.181 4.139 4.320 0.000 0.000 0.209 130 K C 1.843 178.322 176.600 -0.201 0.000 1.048 130 K CA 2.138 58.341 56.287 -0.141 0.000 0.930 130 K CB -0.154 32.250 32.500 -0.161 0.000 0.714 130 K HN 0.567 nan 8.250 nan 0.000 0.438 131 T N -2.833 111.519 114.554 -0.338 0.000 3.043 131 T HA 0.128 4.478 4.350 0.000 0.000 0.263 131 T C 1.035 175.620 174.700 -0.190 0.000 1.094 131 T CA 0.506 62.401 62.100 -0.342 0.000 1.127 131 T CB -0.054 68.458 68.868 -0.594 0.000 0.905 131 T HN 0.410 nan 8.240 nan 0.000 0.490 132 G N 1.296 110.014 108.800 -0.137 0.000 2.470 132 G HA2 -0.091 3.869 3.960 0.000 0.000 0.286 132 G HA3 -0.091 3.869 3.960 0.000 0.000 0.286 132 G C 0.037 174.915 174.900 -0.036 0.000 1.115 132 G CA -0.285 44.777 45.100 -0.064 0.000 1.122 132 G HN 1.555 nan 8.290 nan 0.000 0.522 133 C N -1.037 118.255 119.300 -0.013 0.000 2.985 133 C HA 0.916 5.376 4.460 0.000 0.000 0.314 133 C C -2.405 172.637 174.990 0.088 0.000 1.215 133 C CA -2.276 56.764 59.018 0.037 0.000 1.414 133 C CB 1.843 29.608 27.740 0.041 0.000 1.842 133 C HN 0.324 nan 8.230 nan 0.000 0.477 134 P HA 0.227 nan 4.420 nan 0.000 0.267 134 P C -0.669 176.711 177.300 0.134 0.000 1.200 134 P CA 0.111 63.281 63.100 0.116 0.000 0.772 134 P CB 0.440 32.191 31.700 0.084 0.000 0.855 135 V N 4.189 124.189 119.914 0.144 0.000 2.384 135 V HA 0.202 4.322 4.120 0.000 0.000 0.287 135 V C 0.049 176.202 176.094 0.098 0.000 1.020 135 V CA -0.511 61.879 62.300 0.151 0.000 0.850 135 V CB 1.927 33.874 31.823 0.206 0.000 0.987 135 V HN 0.190 nan 8.190 nan 0.000 0.436 136 V N 4.623 124.548 119.914 0.019 0.000 2.294 136 V HA 0.537 4.657 4.120 0.000 0.000 0.272 136 V C 0.825 176.722 176.094 -0.328 0.000 1.027 136 V CA -0.305 61.950 62.300 -0.076 0.000 0.823 136 V CB 1.457 33.243 31.823 -0.061 0.000 1.030 136 V HN 0.931 nan 8.190 nan 0.000 0.457 137 G N 5.652 114.200 108.800 -0.421 0.000 2.404 137 G HA2 0.594 4.554 3.960 0.000 0.000 0.316 137 G HA3 0.594 4.554 3.960 0.000 0.000 0.316 137 G C -0.448 174.017 174.900 -0.725 0.000 1.074 137 G CA -0.397 43.941 45.100 -1.270 0.000 0.989 137 G HN 0.652 nan 8.290 nan 0.000 0.430 138 I N 2.388 122.484 120.570 -0.791 0.000 2.337 138 I HA 0.132 4.302 4.170 0.000 0.000 0.291 138 I C -0.190 175.961 176.117 0.057 0.000 1.046 138 I CA -0.417 60.746 61.300 -0.228 0.000 1.324 138 I CB 1.023 38.932 38.000 -0.150 0.000 1.409 138 I HN 0.364 nan 8.210 nan 0.000 0.494 139 N N 5.081 123.857 118.700 0.127 0.000 2.372 139 N HA 0.480 5.220 4.740 0.000 0.000 0.291 139 N C -1.111 174.485 175.510 0.142 0.000 1.024 139 N CA -0.571 52.615 53.050 0.226 0.000 0.873 139 N CB 1.328 39.941 38.487 0.209 0.000 1.206 139 N HN 0.441 nan 8.380 nan 0.000 0.486 140 D N 0.906 121.418 120.400 0.187 0.000 2.668 140 D HA 0.140 4.780 4.640 0.000 0.000 0.234 140 D C -1.697 174.767 176.300 0.273 0.000 1.349 140 D CA -0.114 53.960 54.000 0.124 0.000 0.889 140 D CB 0.295 41.140 40.800 0.074 0.000 1.520 140 D HN 0.327 nan 8.370 nan 0.000 0.521 141 S N 0.560 116.420 115.700 0.267 0.000 2.564 141 S HA 0.669 5.139 4.470 0.000 0.000 0.274 141 S C 1.186 175.986 174.600 0.333 0.000 1.124 141 S CA -0.031 58.371 58.200 0.337 0.000 0.869 141 S CB 1.433 64.777 63.200 0.240 0.000 1.105 141 S HN 0.258 nan 8.310 nan 0.000 0.472 142 G N 1.448 110.448 108.800 0.333 0.000 2.448 142 G HA2 0.454 4.414 3.960 0.000 0.000 0.218 142 G HA3 0.454 4.414 3.960 0.000 0.000 0.218 142 G C 0.892 175.889 174.900 0.162 0.000 1.135 142 G CA 0.690 45.947 45.100 0.262 0.000 0.784 142 G HN 1.592 nan 8.290 nan 0.000 0.543 143 G N -1.167 107.716 108.800 0.139 0.000 2.366 143 G HA2 0.496 4.456 3.960 0.000 0.000 0.190 143 G HA3 0.496 4.456 3.960 0.000 0.000 0.190 143 G C -0.596 174.421 174.900 0.195 0.000 1.299 143 G CA -0.106 45.072 45.100 0.131 0.000 1.056 143 G HN 1.021 nan 8.290 nan 0.000 0.468 144 A N 0.019 122.957 122.820 0.197 0.000 2.388 144 A HA 0.674 4.995 4.320 0.000 0.000 0.257 144 A C 0.776 178.408 177.584 0.079 0.000 1.095 144 A CA 0.113 52.296 52.037 0.242 0.000 0.791 144 A CB 0.259 19.417 19.000 0.263 0.000 1.029 144 A HN 0.745 nan 8.150 nan 0.000 0.489 145 R N 2.849 123.358 120.500 0.014 0.000 2.435 145 R HA 0.134 4.473 4.340 0.000 0.000 0.325 145 R C 0.541 176.802 176.300 -0.063 0.000 1.149 145 R CA -0.049 56.002 56.100 -0.083 0.000 0.995 145 R CB -0.380 29.822 30.300 -0.163 0.000 1.008 145 R HN 0.815 nan 8.270 nan 0.000 0.470 146 I N 2.747 123.278 120.570 -0.067 0.000 2.394 146 I HA -0.301 3.869 4.170 0.000 0.000 0.251 146 I C 1.724 177.818 176.117 -0.038 0.000 1.136 146 I CA 1.012 62.281 61.300 -0.052 0.000 1.425 146 I CB -0.090 37.853 38.000 -0.094 0.000 1.079 146 I HN 0.587 nan 8.210 nan 0.000 0.425 147 Q N 1.287 121.045 119.800 -0.070 0.000 2.152 147 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 147 Q C 1.103 177.170 176.000 0.113 0.000 0.985 147 Q CA 1.409 57.264 55.803 0.087 0.000 0.863 147 Q CB -0.206 28.512 28.738 -0.032 0.000 0.904 147 Q HN 0.555 nan 8.270 nan 0.000 0.422 148 E N -0.070 120.125 120.200 -0.009 0.000 2.311 148 E HA 0.229 4.579 4.350 0.000 0.000 0.198 148 E C 0.922 177.534 176.600 0.021 0.000 1.115 148 E CA 0.023 56.417 56.400 -0.011 0.000 1.140 148 E CB -0.048 29.614 29.700 -0.062 0.000 1.204 148 E HN 0.374 nan 8.360 nan 0.000 0.446 149 G N 1.781 110.617 108.800 0.060 0.000 2.686 149 G HA2 -0.495 3.465 3.960 0.000 0.000 0.359 149 G HA3 -0.495 3.465 3.960 0.000 0.000 0.359 149 G C 1.394 176.326 174.900 0.054 0.000 1.222 149 G CA 1.746 46.886 45.100 0.066 0.000 0.956 149 G HN 0.458 nan 8.290 nan 0.000 0.565 150 V N -1.258 118.684 119.914 0.047 0.000 2.667 150 V HA 0.299 4.419 4.120 0.000 0.000 0.252 150 V C 3.144 179.259 176.094 0.035 0.000 1.065 150 V CA 2.213 64.540 62.300 0.045 0.000 1.083 150 V CB -1.358 30.486 31.823 0.036 0.000 0.692 150 V HN 1.774 nan 8.190 nan 0.000 0.468 151 A N 2.000 124.832 122.820 0.019 0.000 1.892 151 A HA -0.234 4.086 4.320 0.000 0.000 0.218 151 A C 2.535 180.111 177.584 -0.013 0.000 1.188 151 A CA 2.914 54.951 52.037 -0.000 0.000 0.631 151 A CB -1.117 17.879 19.000 -0.007 0.000 0.822 151 A HN 1.041 nan 8.150 nan 0.000 0.447 152 S N -0.910 114.789 115.700 -0.001 0.000 2.562 152 S HA 0.187 4.657 4.470 0.000 0.000 0.221 152 S C 1.630 176.275 174.600 0.075 0.000 0.975 152 S CA 0.669 58.852 58.200 -0.027 0.000 0.918 152 S CB -0.420 62.772 63.200 -0.013 0.000 0.772 152 S HN 0.456 nan 8.310 nan 0.000 0.531 153 L N 1.019 122.323 121.223 0.135 0.000 2.068 153 L HA 0.183 4.523 4.340 0.000 0.000 0.204 153 L C 2.979 179.912 176.870 0.105 0.000 1.076 153 L CA 1.070 56.037 54.840 0.211 0.000 0.753 153 L CB -1.351 40.797 42.059 0.148 0.000 0.910 153 L HN 0.504 nan 8.230 nan 0.000 0.439 154 G N -0.008 108.811 108.800 0.032 0.000 2.485 154 G HA2 -0.258 3.702 3.960 0.000 0.000 0.221 154 G HA3 -0.258 3.702 3.960 0.000 0.000 0.221 154 G C 1.728 176.584 174.900 -0.074 0.000 1.115 154 G CA 0.967 46.060 45.100 -0.011 0.000 0.751 154 G HN 0.463 nan 8.290 nan 0.000 0.567 155 A N 0.083 122.827 122.820 -0.126 0.000 1.872 155 A HA 0.102 4.422 4.320 0.000 0.000 0.214 155 A C 2.175 179.551 177.584 -0.348 0.000 1.187 155 A CA 1.347 53.243 52.037 -0.234 0.000 0.614 155 A CB -0.591 18.239 19.000 -0.285 0.000 0.826 155 A HN 0.326 nan 8.150 nan 0.000 0.442 156 Y N 0.436 120.549 120.300 -0.311 0.000 2.114 156 Y HA -0.160 4.390 4.550 -0.000 0.000 0.282 156 Y C 2.805 178.090 175.900 -1.025 0.000 1.165 156 Y CA 1.026 58.704 58.100 -0.703 0.000 1.148 156 Y CB -1.107 37.152 38.460 -0.336 0.000 0.972 156 Y HN 0.315 nan 8.280 nan 0.000 0.504 157 G N -0.378 108.271 108.800 -0.252 0.000 2.440 157 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 157 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 157 G C 1.540 176.348 174.900 -0.154 0.000 1.154 157 G CA 1.054 46.090 45.100 -0.107 0.000 0.767 157 G HN 0.341 nan 8.290 nan 0.000 0.552 158 E N 0.025 120.112 120.200 -0.187 0.000 2.358 158 E HA 0.032 4.382 4.350 0.000 0.000 0.195 158 E C 2.479 178.975 176.600 -0.172 0.000 1.010 158 E CA 0.152 56.461 56.400 -0.150 0.000 0.856 158 E CB 0.092 29.714 29.700 -0.130 0.000 0.795 158 E HN 0.516 nan 8.360 nan 0.000 0.504 159 I N 0.353 120.753 120.570 -0.283 0.000 2.233 159 I HA -0.233 3.937 4.170 0.000 0.000 0.243 159 I C 1.730 177.851 176.117 0.007 0.000 1.093 159 I CA 0.943 62.117 61.300 -0.210 0.000 1.380 159 I CB -0.165 37.634 38.000 -0.335 0.000 1.067 159 I HN -0.021 nan 8.210 nan 0.000 0.413 160 F N 0.489 120.466 119.950 0.046 0.000 2.604 160 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 160 F C 2.425 178.232 175.800 0.013 0.000 1.131 160 F CA 0.597 58.628 58.000 0.051 0.000 1.457 160 F CB -1.044 38.002 39.000 0.076 0.000 1.095 160 F HN 0.008 nan 8.300 nan 0.000 0.574 161 R N 0.702 121.262 120.500 0.099 0.000 2.100 161 R HA 0.044 4.384 4.340 0.000 0.000 0.220 161 R C 1.786 178.016 176.300 -0.117 0.000 1.091 161 R CA 0.728 56.806 56.100 -0.036 0.000 0.986 161 R CB 0.070 30.285 30.300 -0.142 0.000 0.888 161 R HN 0.109 nan 8.270 nan 0.000 0.444 162 R N -0.308 120.151 120.500 -0.069 0.000 2.334 162 R HA 0.126 4.466 4.340 0.000 0.000 0.220 162 R C 0.865 177.219 176.300 0.090 0.000 0.917 162 R CA 0.255 56.341 56.100 -0.022 0.000 1.073 162 R CB 0.149 30.428 30.300 -0.035 0.000 1.056 162 R HN 0.352 nan 8.270 nan 0.000 0.506 163 N N -0.602 118.178 118.700 0.134 0.000 2.368 163 N HA -0.041 4.699 4.740 0.000 0.000 0.176 163 N C 1.125 176.720 175.510 0.142 0.000 1.021 163 N CA 0.953 54.100 53.050 0.162 0.000 0.888 163 N CB 0.324 38.939 38.487 0.214 0.000 0.995 163 N HN -0.018 nan 8.380 nan 0.000 0.437 164 T N -0.361 114.280 114.554 0.145 0.000 2.812 164 T HA -0.053 4.297 4.350 0.000 0.000 0.264 164 T C 1.411 176.221 174.700 0.183 0.000 1.042 164 T CA 0.889 63.072 62.100 0.138 0.000 1.140 164 T CB -0.325 68.626 68.868 0.139 0.000 0.870 164 T HN 0.353 nan 8.240 nan 0.000 0.445 165 H N 0.695 119.785 119.070 0.034 0.000 2.353 165 H HA 0.009 4.565 4.556 0.000 0.000 0.300 165 H C 2.596 177.935 175.328 0.017 0.000 1.090 165 H CA 0.975 57.036 56.048 0.021 0.000 1.327 165 H CB -0.009 29.767 29.762 0.024 0.000 1.383 165 H HN 0.364 nan 8.280 nan 0.000 0.508 166 A N 0.765 123.682 122.820 0.162 0.000 1.969 166 A HA -0.106 4.214 4.320 0.000 0.000 0.218 166 A C 1.612 179.224 177.584 0.047 0.000 1.169 166 A CA 0.532 52.626 52.037 0.095 0.000 0.635 166 A CB -0.336 18.731 19.000 0.112 0.000 0.810 166 A HN 0.255 nan 8.150 nan 0.000 0.445 167 S N -0.383 115.348 115.700 0.052 0.000 2.629 167 S HA 0.358 4.828 4.470 0.000 0.000 0.302 167 S C 1.299 175.866 174.600 -0.056 0.000 1.244 167 S CA 0.988 59.199 58.200 0.019 0.000 1.098 167 S CB -0.443 62.775 63.200 0.029 0.000 0.858 167 S HN 1.873 nan 8.310 nan 0.000 0.502 168 G N 2.961 111.673 108.800 -0.146 0.000 2.195 168 G HA2 -0.242 3.718 3.960 0.000 0.000 0.246 168 G HA3 -0.242 3.718 3.960 0.000 0.000 0.246 168 G C 0.595 175.302 174.900 -0.322 0.000 0.984 168 G CA 0.230 45.141 45.100 -0.316 0.000 0.633 168 G HN 0.813 nan 8.290 nan 0.000 0.525 169 V N 0.578 120.388 119.914 -0.173 0.000 2.599 169 V HA 0.438 4.558 4.120 0.000 0.000 0.237 169 V C 1.148 177.208 176.094 -0.057 0.000 1.081 169 V CA 1.851 64.087 62.300 -0.107 0.000 1.107 169 V CB 0.089 31.887 31.823 -0.042 0.000 0.808 169 V HN 0.809 nan 8.190 nan 0.000 0.486 170 I N -0.894 119.688 120.570 0.020 0.000 2.499 170 I HA 0.574 4.744 4.170 0.000 0.000 0.288 170 I C -2.897 173.351 176.117 0.218 0.000 1.048 170 I CA -2.533 58.835 61.300 0.112 0.000 1.062 170 I CB 2.140 40.191 38.000 0.086 0.000 1.238 170 I HN 0.008 nan 8.210 nan 0.000 0.426 171 P HA 0.027 nan 4.420 nan 0.000 0.262 171 P C -1.254 176.202 177.300 0.261 0.000 1.182 171 P CA 0.325 63.685 63.100 0.435 0.000 0.761 171 P CB 0.589 32.461 31.700 0.287 0.000 0.795 172 Q N 3.032 122.993 119.800 0.268 0.000 2.357 172 Q HA 0.551 4.891 4.340 0.000 0.000 0.266 172 Q C -0.377 175.745 176.000 0.203 0.000 1.021 172 Q CA -0.452 55.478 55.803 0.210 0.000 0.784 172 Q CB 1.511 30.369 28.738 0.200 0.000 1.243 172 Q HN 0.477 nan 8.270 nan 0.000 0.465 173 I N 1.600 122.268 120.570 0.163 0.000 2.389 173 I HA 0.306 4.476 4.170 0.000 0.000 0.288 173 I C -0.353 175.828 176.117 0.107 0.000 0.999 173 I CA -0.666 60.727 61.300 0.155 0.000 1.129 173 I CB 1.966 40.041 38.000 0.125 0.000 1.288 173 I HN 0.427 nan 8.210 nan 0.000 0.444 174 S N 7.289 123.066 115.700 0.128 0.000 2.438 174 S HA 0.432 4.902 4.470 0.000 0.000 0.293 174 S C -0.321 174.327 174.600 0.081 0.000 1.141 174 S CA -0.559 57.702 58.200 0.103 0.000 1.080 174 S CB 1.244 64.527 63.200 0.137 0.000 0.978 174 S HN 0.467 nan 8.310 nan 0.000 0.479 175 L N 5.147 126.387 121.223 0.028 0.000 2.283 175 L HA 0.454 4.794 4.340 0.000 0.000 0.281 175 L C -1.146 175.739 176.870 0.025 0.000 1.033 175 L CA -0.590 54.267 54.840 0.030 0.000 0.848 175 L CB 0.559 42.619 42.059 0.003 0.000 1.226 175 L HN 0.392 nan 8.230 nan 0.000 0.429 176 V N 6.114 126.048 119.914 0.032 0.000 2.385 176 V HA 0.135 4.255 4.120 0.000 0.000 0.269 176 V C 0.802 176.896 176.094 -0.001 0.000 1.043 176 V CA -0.232 62.081 62.300 0.023 0.000 0.906 176 V CB 1.290 33.119 31.823 0.011 0.000 0.995 176 V HN 0.692 nan 8.190 nan 0.000 0.467 177 V N 1.620 121.531 119.914 -0.004 0.000 3.276 177 V HA 0.780 4.901 4.120 0.000 0.000 0.319 177 V C 0.565 176.624 176.094 -0.058 0.000 1.476 177 V CA 0.592 62.876 62.300 -0.026 0.000 1.097 177 V CB -0.035 31.780 31.823 -0.015 0.000 0.988 177 V HN 0.850 nan 8.190 nan 0.000 0.473 178 G N 0.374 109.141 108.800 -0.056 0.000 2.894 178 G HA2 0.640 4.600 3.960 0.000 0.000 0.164 178 G HA3 0.640 4.600 3.960 0.000 0.000 0.164 178 G C -3.539 171.340 174.900 -0.035 0.000 1.180 178 G CA -0.923 44.104 45.100 -0.121 0.000 0.997 178 G HN 0.142 nan 8.290 nan 0.000 0.572 179 P HA 0.504 nan 4.420 nan 0.000 0.296 179 P C -1.289 175.995 177.300 -0.027 0.000 1.301 179 P CA -0.337 62.777 63.100 0.024 0.000 0.862 179 P CB 1.969 33.717 31.700 0.080 0.000 1.046 180 C N 3.859 123.059 119.300 -0.167 0.000 2.534 180 C HA 0.840 5.300 4.460 0.000 0.000 0.309 180 C C -0.568 174.108 174.990 -0.523 0.000 1.072 180 C CA 0.005 58.897 59.018 -0.211 0.000 1.441 180 C CB -1.267 26.402 27.740 -0.118 0.000 1.906 180 C HN 0.644 nan 8.230 nan 0.000 0.429 181 A N 4.431 126.960 122.820 -0.485 0.000 2.414 181 A HA 0.971 5.291 4.320 0.000 0.000 0.306 181 A C 0.370 177.798 177.584 -0.260 0.000 1.054 181 A CA 0.594 52.233 52.037 -0.662 0.000 0.724 181 A CB 1.011 19.686 19.000 -0.541 0.000 1.267 181 A HN 2.537 nan 8.150 nan 0.000 0.418 182 G N 0.736 109.433 108.800 -0.172 0.000 2.542 182 G HA2 0.181 4.141 3.960 0.000 0.000 0.235 182 G HA3 0.181 4.141 3.960 0.000 0.000 0.235 182 G C 1.191 175.946 174.900 -0.242 0.000 1.286 182 G CA 0.541 45.568 45.100 -0.122 0.000 0.904 182 G HN 2.071 nan 8.290 nan 0.000 0.577 183 G N -0.044 108.636 108.800 -0.199 0.000 2.469 183 G HA2 0.163 4.123 3.960 0.000 0.000 0.220 183 G HA3 0.163 4.123 3.960 0.000 0.000 0.220 183 G C 2.283 176.987 174.900 -0.327 0.000 1.136 183 G CA 3.290 48.281 45.100 -0.181 0.000 0.759 183 G HN 2.171 nan 8.290 nan 0.000 0.562 184 A N 0.703 123.272 122.820 -0.418 0.000 1.969 184 A HA -0.211 4.109 4.320 0.000 0.000 0.223 184 A C 2.742 180.205 177.584 -0.203 0.000 1.218 184 A CA 3.328 55.225 52.037 -0.234 0.000 0.667 184 A CB -1.159 17.762 19.000 -0.132 0.000 0.826 184 A HN 1.132 nan 8.150 nan 0.000 0.472 185 V N -4.495 115.179 119.914 -0.400 0.000 2.688 185 V HA -0.223 3.897 4.120 0.000 0.000 0.256 185 V C 1.913 177.749 176.094 -0.431 0.000 1.084 185 V CA 1.855 63.897 62.300 -0.430 0.000 1.103 185 V CB -1.434 30.054 31.823 -0.558 0.000 0.688 185 V HN 0.549 nan 8.190 nan 0.000 0.480 186 Y N 0.368 120.440 120.300 -0.381 0.000 2.462 186 Y HA 0.370 4.920 4.550 -0.000 0.000 0.293 186 Y C 2.567 178.005 175.900 -0.769 0.000 1.195 186 Y CA 0.272 58.059 58.100 -0.522 0.000 1.276 186 Y CB -0.384 37.743 38.460 -0.556 0.000 1.082 186 Y HN 0.303 nan 8.280 nan 0.000 0.514 187 S N 0.644 116.084 115.700 -0.434 0.000 2.355 187 S HA 0.022 4.492 4.470 0.000 0.000 0.216 187 S C -0.578 174.080 174.600 0.096 0.000 1.037 187 S CA 0.525 58.745 58.200 0.033 0.000 0.955 187 S CB -0.803 62.743 63.200 0.577 0.000 0.877 187 S HN 0.149 nan 8.310 nan 0.000 0.488 188 P HA 0.074 nan 4.420 nan 0.000 0.222 188 P C 1.153 178.480 177.300 0.044 0.000 1.147 188 P CA 1.197 64.348 63.100 0.086 0.000 0.790 188 P CB -0.160 31.568 31.700 0.046 0.000 0.780 189 A N 0.136 122.957 122.820 0.002 0.000 1.845 189 A HA -0.179 4.141 4.320 0.000 0.000 0.215 189 A C 2.050 179.650 177.584 0.027 0.000 1.195 189 A CA 1.482 53.525 52.037 0.010 0.000 0.616 189 A CB -1.553 17.479 19.000 0.053 0.000 0.832 189 A HN 0.003 nan 8.150 nan 0.000 0.443 190 I N 1.353 121.939 120.570 0.026 0.000 2.185 190 I HA -0.167 4.003 4.170 0.000 0.000 0.246 190 I C 1.677 177.833 176.117 0.064 0.000 1.088 190 I CA 1.670 62.993 61.300 0.039 0.000 1.347 190 I CB -2.428 35.608 38.000 0.059 0.000 1.041 190 I HN 0.495 nan 8.210 nan 0.000 0.415 191 T N -0.623 113.986 114.554 0.092 0.000 2.932 191 T HA -0.020 4.330 4.350 0.000 0.000 0.312 191 T C 1.090 175.832 174.700 0.071 0.000 1.071 191 T CA -0.424 61.744 62.100 0.114 0.000 1.128 191 T CB 1.110 70.068 68.868 0.150 0.000 0.984 191 T HN 0.173 nan 8.240 nan 0.000 0.549 192 D N 1.200 121.633 120.400 0.056 0.000 2.106 192 D HA -0.059 4.581 4.640 0.000 0.000 0.191 192 D C 0.069 176.035 176.300 -0.557 0.000 0.997 192 D CA 1.674 55.561 54.000 -0.188 0.000 0.834 192 D CB -0.075 40.727 40.800 0.004 0.000 0.956 192 D HN 0.614 nan 8.370 nan 0.000 0.448 193 F N -0.296 119.615 119.950 -0.066 0.000 2.562 193 F HA 0.263 4.790 4.527 0.000 0.000 0.319 193 F C -0.127 175.639 175.800 -0.058 0.000 1.154 193 F CA -0.727 56.953 58.000 -0.532 0.000 0.931 193 F CB 2.156 40.865 39.000 -0.485 0.000 1.198 193 F HN -0.462 nan 8.300 nan 0.000 0.444 194 T N 3.434 118.234 114.554 0.410 0.000 2.767 194 T HA 0.605 4.955 4.350 0.000 0.000 0.284 194 T C -0.486 174.373 174.700 0.266 0.000 0.973 194 T CA -0.561 61.716 62.100 0.295 0.000 0.996 194 T CB 1.423 70.408 68.868 0.196 0.000 0.927 194 T HN 0.240 nan 8.240 nan 0.000 0.456 195 V N 5.068 125.082 119.914 0.166 0.000 2.459 195 V HA 0.588 4.708 4.120 0.000 0.000 0.295 195 V C -0.198 175.923 176.094 0.044 0.000 1.029 195 V CA -0.648 61.720 62.300 0.113 0.000 0.874 195 V CB 1.545 33.455 31.823 0.145 0.000 0.985 195 V HN 0.857 nan 8.190 nan 0.000 0.438 196 M N 4.262 123.854 119.600 -0.013 0.000 2.446 196 M HA 0.587 5.067 4.480 0.000 0.000 0.294 196 M C -1.473 174.769 176.300 -0.096 0.000 1.158 196 M CA -0.668 54.606 55.300 -0.043 0.000 0.899 196 M CB 2.739 35.322 32.600 -0.029 0.000 1.687 196 M HN 0.351 nan 8.290 nan 0.000 0.455 197 V N 1.821 121.681 119.914 -0.090 0.000 2.384 197 V HA 0.200 4.320 4.120 0.000 0.000 0.287 197 V C -0.436 175.589 176.094 -0.116 0.000 1.020 197 V CA -0.659 61.582 62.300 -0.098 0.000 0.850 197 V CB 1.686 33.472 31.823 -0.060 0.000 0.987 197 V HN 0.778 nan 8.190 nan 0.000 0.436 198 D N 4.529 124.858 120.400 -0.117 0.000 2.571 198 D HA -0.022 4.618 4.640 0.000 0.000 0.231 198 D C 0.982 177.224 176.300 -0.097 0.000 1.133 198 D CA 1.023 54.958 54.000 -0.109 0.000 0.862 198 D CB 0.584 41.331 40.800 -0.088 0.000 1.179 198 D HN 0.600 nan 8.370 nan 0.000 0.474 199 Q N 0.921 120.657 119.800 -0.108 0.000 2.305 199 Q HA -0.230 4.110 4.340 0.000 0.000 0.203 199 Q C 0.654 176.637 176.000 -0.028 0.000 0.663 199 Q CA 1.869 57.644 55.803 -0.047 0.000 1.389 199 Q CB -2.589 26.142 28.738 -0.011 0.000 1.566 199 Q HN 0.758 nan 8.270 nan 0.000 0.755 200 T N -3.599 110.893 114.554 -0.102 0.000 3.475 200 T HA 0.424 4.774 4.350 0.000 0.000 0.310 200 T C -0.062 174.576 174.700 -0.104 0.000 0.963 200 T CA 0.437 62.507 62.100 -0.049 0.000 0.985 200 T CB 0.338 69.185 68.868 -0.035 0.000 1.198 200 T HN 0.341 nan 8.240 nan 0.000 0.508 201 S N 0.394 115.920 115.700 -0.289 0.000 2.566 201 S HA 0.720 5.190 4.470 0.000 0.000 0.273 201 S C -1.674 172.686 174.600 -0.399 0.000 1.157 201 S CA -0.756 57.320 58.200 -0.207 0.000 0.938 201 S CB 1.185 64.318 63.200 -0.112 0.000 1.087 201 S HN 0.460 nan 8.310 nan 0.000 0.474 202 H N 1.582 120.708 119.070 0.092 0.000 2.771 202 H HA 0.680 5.236 4.556 0.000 0.000 0.361 202 H C -0.678 174.762 175.328 0.186 0.000 1.108 202 H CA -0.663 55.517 56.048 0.219 0.000 1.201 202 H CB 1.766 31.732 29.762 0.340 0.000 1.681 202 H HN 0.615 nan 8.280 nan 0.000 0.534 203 M N 3.493 123.354 119.600 0.436 0.000 2.465 203 M HA 0.564 5.044 4.480 0.000 0.000 0.316 203 M C -1.572 174.971 176.300 0.405 0.000 1.121 203 M CA -0.863 54.583 55.300 0.244 0.000 0.934 203 M CB 2.063 34.771 32.600 0.180 0.000 1.692 203 M HN 0.627 nan 8.290 nan 0.000 0.444 204 F N -0.048 119.992 119.950 0.150 0.000 2.660 204 F HA 0.397 4.924 4.527 -0.000 0.000 0.320 204 F C -0.551 175.247 175.800 -0.003 0.000 1.099 204 F CA -1.012 57.039 58.000 0.085 0.000 1.061 204 F CB 0.281 39.348 39.000 0.111 0.000 1.300 204 F HN 0.396 nan 8.300 nan 0.000 0.479 205 I N 1.217 121.844 120.570 0.095 0.000 2.439 205 I HA 0.049 4.219 4.170 0.000 0.000 0.251 205 I C 0.364 176.559 176.117 0.130 0.000 1.139 205 I CA 1.315 62.617 61.300 0.004 0.000 1.438 205 I CB -0.311 37.681 38.000 -0.013 0.000 1.085 205 I HN 0.770 nan 8.210 nan 0.000 0.427 206 T N 0.404 115.082 114.554 0.206 0.000 3.011 206 T HA 0.495 4.845 4.350 0.000 0.000 0.303 206 T C 0.162 174.925 174.700 0.105 0.000 0.997 206 T CA -0.566 61.624 62.100 0.151 0.000 1.007 206 T CB 1.710 70.622 68.868 0.073 0.000 1.017 206 T HN 0.277 nan 8.240 nan 0.000 0.443 207 G N 3.084 111.926 108.800 0.070 0.000 2.614 207 G HA2 0.328 4.288 3.960 0.000 0.000 0.239 207 G HA3 0.328 4.288 3.960 0.000 0.000 0.239 207 G C -1.572 173.170 174.900 -0.263 0.000 1.240 207 G CA -1.149 43.854 45.100 -0.161 0.000 0.842 207 G HN 0.391 nan 8.290 nan 0.000 0.584 208 P HA -0.098 nan 4.420 nan 0.000 0.216 208 P C 1.219 178.356 177.300 -0.270 0.000 1.150 208 P CA 1.616 64.447 63.100 -0.449 0.000 0.837 208 P CB 0.081 31.331 31.700 -0.750 0.000 0.786 209 D N -0.450 119.813 120.400 -0.229 0.000 2.108 209 D HA -0.185 4.455 4.640 0.000 0.000 0.190 209 D C 1.789 178.038 176.300 -0.085 0.000 0.995 209 D CA 1.271 55.197 54.000 -0.122 0.000 0.834 209 D CB -1.566 39.194 40.800 -0.067 0.000 0.967 209 D HN -0.049 nan 8.370 nan 0.000 0.446 210 V N 0.901 120.776 119.914 -0.065 0.000 2.222 210 V HA -0.315 3.805 4.120 0.000 0.000 0.252 210 V C 2.586 178.650 176.094 -0.049 0.000 1.060 210 V CA 2.338 64.614 62.300 -0.040 0.000 1.027 210 V CB -0.887 30.925 31.823 -0.017 0.000 0.644 210 V HN 0.439 nan 8.190 nan 0.000 0.448 211 I N -0.417 120.112 120.570 -0.068 0.000 2.756 211 I HA -0.100 4.070 4.170 0.000 0.000 0.262 211 I C 2.121 178.200 176.117 -0.064 0.000 1.225 211 I CA 1.773 63.037 61.300 -0.060 0.000 1.472 211 I CB -0.478 37.479 38.000 -0.072 0.000 1.094 211 I HN 0.174 nan 8.210 nan 0.000 0.454 212 K N 1.549 121.902 120.400 -0.078 0.000 1.965 212 K HA -0.169 4.151 4.320 0.000 0.000 0.214 212 K C 2.180 178.753 176.600 -0.045 0.000 1.046 212 K CA 2.616 58.863 56.287 -0.066 0.000 0.944 212 K CB -1.201 31.254 32.500 -0.075 0.000 0.726 212 K HN 0.473 nan 8.250 nan 0.000 0.441 213 T N -1.016 113.514 114.554 -0.040 0.000 3.215 213 T HA 0.081 4.431 4.350 0.000 0.000 0.254 213 T C 1.313 176.000 174.700 -0.021 0.000 1.149 213 T CA 0.517 62.600 62.100 -0.028 0.000 1.042 213 T CB -0.117 68.736 68.868 -0.024 0.000 0.966 213 T HN -0.000 nan 8.240 nan 0.000 0.534 214 V N 0.010 119.910 119.914 -0.023 0.000 2.690 214 V HA 0.217 4.337 4.120 0.000 0.000 0.240 214 V C 2.379 178.463 176.094 -0.016 0.000 1.078 214 V CA 1.156 63.447 62.300 -0.016 0.000 1.102 214 V CB 0.209 32.024 31.823 -0.013 0.000 0.800 214 V HN 0.496 nan 8.190 nan 0.000 0.479 215 T N -1.277 113.264 114.554 -0.022 0.000 3.209 215 T HA 0.348 4.698 4.350 0.000 0.000 0.295 215 T C 1.199 175.885 174.700 -0.024 0.000 0.977 215 T CA 0.768 62.856 62.100 -0.020 0.000 0.922 215 T CB 0.247 69.102 68.868 -0.020 0.000 1.152 215 T HN 0.686 nan 8.240 nan 0.000 0.527 216 G N 2.162 110.945 108.800 -0.028 0.000 2.205 216 G HA2 -0.280 3.680 3.960 0.000 0.000 0.269 216 G HA3 -0.280 3.680 3.960 0.000 0.000 0.269 216 G C -0.018 174.863 174.900 -0.033 0.000 0.977 216 G CA 0.890 45.974 45.100 -0.028 0.000 0.652 216 G HN 0.637 nan 8.290 nan 0.000 0.539 217 E N 0.693 120.869 120.200 -0.039 0.000 2.249 217 E HA 0.471 4.821 4.350 0.000 0.000 0.280 217 E C -1.040 175.523 176.600 -0.063 0.000 1.016 217 E CA -0.786 55.587 56.400 -0.045 0.000 0.830 217 E CB 0.592 30.267 29.700 -0.042 0.000 1.081 217 E HN 0.113 nan 8.360 nan 0.000 0.395 218 D N 3.271 123.633 120.400 -0.063 0.000 2.344 218 D HA 0.393 5.033 4.640 0.000 0.000 0.239 218 D C -1.378 174.867 176.300 -0.091 0.000 1.064 218 D CA -0.270 53.683 54.000 -0.079 0.000 0.829 218 D CB 1.847 42.610 40.800 -0.063 0.000 1.129 218 D HN 0.159 nan 8.370 nan 0.000 0.506 219 V N 1.516 121.351 119.914 -0.133 0.000 2.891 219 V HA 0.648 4.768 4.120 0.000 0.000 0.304 219 V C 0.195 176.157 176.094 -0.219 0.000 1.171 219 V CA -0.606 61.606 62.300 -0.146 0.000 0.943 219 V CB 2.195 33.933 31.823 -0.142 0.000 1.037 219 V HN 0.567 nan 8.190 nan 0.000 0.427 220 G N 3.044 111.744 108.800 -0.167 0.000 2.572 220 G HA2 0.387 4.347 3.960 0.000 0.000 0.261 220 G HA3 0.387 4.347 3.960 0.000 0.000 0.261 220 G C 0.291 175.058 174.900 -0.222 0.000 1.197 220 G CA -0.107 44.887 45.100 -0.178 0.000 0.870 220 G HN 0.626 nan 8.290 nan 0.000 0.548 221 F N -0.282 119.570 119.950 -0.164 0.000 2.102 221 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 221 F C 2.629 178.409 175.800 -0.034 0.000 1.105 221 F CA 1.799 59.663 58.000 -0.226 0.000 1.239 221 F CB -0.144 38.608 39.000 -0.413 0.000 0.991 221 F HN 0.546 nan 8.300 nan 0.000 0.474 222 E N 0.815 121.147 120.200 0.221 0.000 2.038 222 E HA -0.282 4.068 4.350 0.000 0.000 0.195 222 E C 2.039 178.708 176.600 0.115 0.000 1.000 222 E CA 1.900 58.451 56.400 0.251 0.000 0.803 222 E CB -0.319 29.484 29.700 0.173 0.000 0.750 222 E HN 0.477 nan 8.360 nan 0.000 0.448 223 E N -0.450 119.775 120.200 0.042 0.000 2.072 223 E HA -0.167 4.183 4.350 0.000 0.000 0.191 223 E C 2.057 178.639 176.600 -0.030 0.000 0.985 223 E CA 1.247 57.644 56.400 -0.006 0.000 0.801 223 E CB -0.509 29.176 29.700 -0.024 0.000 0.750 223 E HN 0.306 nan 8.360 nan 0.000 0.452 224 L N 0.137 121.334 121.223 -0.043 0.000 1.955 224 L HA 0.026 4.366 4.340 0.000 0.000 0.213 224 L C 1.734 178.577 176.870 -0.045 0.000 1.072 224 L CA 2.623 57.426 54.840 -0.062 0.000 0.755 224 L CB -0.743 41.233 42.059 -0.139 0.000 0.888 224 L HN 0.253 nan 8.230 nan 0.000 0.432 225 G N -1.042 107.777 108.800 0.031 0.000 4.867 225 G HA2 0.468 4.428 3.960 0.000 0.000 0.258 225 G HA3 0.468 4.428 3.960 0.000 0.000 0.258 225 G C 0.246 175.132 174.900 -0.025 0.000 0.999 225 G CA 0.094 45.139 45.100 -0.092 0.000 0.797 225 G HN 0.698 nan 8.290 nan 0.000 0.505 226 G N -0.625 108.189 108.800 0.023 0.000 2.537 226 G HA2 0.527 4.487 3.960 0.000 0.000 0.273 226 G HA3 0.527 4.487 3.960 0.000 0.000 0.273 226 G C 1.290 176.132 174.900 -0.097 0.000 1.189 226 G CA 0.362 45.442 45.100 -0.034 0.000 0.881 226 G HN 0.544 nan 8.290 nan 0.000 0.535 227 A N 0.809 123.553 122.820 -0.126 0.000 1.882 227 A HA -0.243 4.077 4.320 0.000 0.000 0.220 227 A C 2.365 179.925 177.584 -0.041 0.000 1.253 227 A CA 2.387 54.384 52.037 -0.065 0.000 0.664 227 A CB -0.782 18.148 19.000 -0.117 0.000 0.838 227 A HN 0.723 nan 8.150 nan 0.000 0.460 228 R N -1.468 118.996 120.500 -0.061 0.000 2.103 228 R HA -0.156 4.184 4.340 0.000 0.000 0.242 228 R C 2.206 178.491 176.300 -0.026 0.000 1.142 228 R CA 2.156 58.230 56.100 -0.043 0.000 0.960 228 R CB -0.652 29.624 30.300 -0.039 0.000 0.858 228 R HN 0.561 nan 8.270 nan 0.000 0.439 229 T N -0.164 114.358 114.554 -0.053 0.000 2.867 229 T HA -0.091 4.259 4.350 0.000 0.000 0.268 229 T C 1.314 175.963 174.700 -0.084 0.000 1.057 229 T CA 1.008 63.062 62.100 -0.077 0.000 1.136 229 T CB -0.195 68.596 68.868 -0.129 0.000 0.874 229 T HN 0.360 nan 8.240 nan 0.000 0.466 230 H N 0.881 119.933 119.070 -0.030 0.000 2.403 230 H HA 0.156 4.712 4.556 -0.000 0.000 0.298 230 H C 2.236 177.494 175.328 -0.117 0.000 1.059 230 H CA 0.891 56.897 56.048 -0.070 0.000 1.363 230 H CB -0.254 29.471 29.762 -0.062 0.000 1.410 230 H HN 0.359 nan 8.280 nan 0.000 0.528 231 N N 0.024 118.749 118.700 0.041 0.000 2.080 231 N HA -0.117 4.623 4.740 0.000 0.000 0.189 231 N C 1.992 177.532 175.510 0.051 0.000 1.036 231 N CA 2.086 55.132 53.050 -0.005 0.000 0.846 231 N CB 0.171 38.643 38.487 -0.024 0.000 1.015 231 N HN 0.148 nan 8.380 nan 0.000 0.423 232 S N -1.256 114.498 115.700 0.090 0.000 2.404 232 S HA 0.058 4.528 4.470 0.000 0.000 0.223 232 S C 1.765 176.568 174.600 0.338 0.000 1.040 232 S CA 0.901 59.214 58.200 0.188 0.000 0.957 232 S CB -0.108 63.147 63.200 0.092 0.000 0.826 232 S HN 0.249 nan 8.310 nan 0.000 0.491 233 T N 2.412 117.081 114.554 0.191 0.000 2.990 233 T HA 0.051 4.401 4.350 0.000 0.000 0.237 233 T C 2.418 177.236 174.700 0.196 0.000 1.009 233 T CA 1.121 63.340 62.100 0.199 0.000 1.195 233 T CB -0.529 68.393 68.868 0.090 0.000 0.885 233 T HN 0.559 nan 8.240 nan 0.000 0.424 234 S N 1.028 116.751 115.700 0.039 0.000 2.383 234 S HA 0.162 4.632 4.470 0.000 0.000 0.227 234 S C 2.072 176.503 174.600 -0.281 0.000 1.026 234 S CA 1.239 59.431 58.200 -0.012 0.000 0.981 234 S CB -0.871 62.382 63.200 0.088 0.000 0.818 234 S HN 0.922 nan 8.310 nan 0.000 0.472 235 G N 0.008 108.314 108.800 -0.823 0.000 2.143 235 G HA2 -0.270 3.690 3.960 0.000 0.000 0.249 235 G HA3 -0.270 3.690 3.960 0.000 0.000 0.249 235 G C 0.693 175.141 174.900 -0.752 0.000 0.981 235 G CA 0.324 44.369 45.100 -1.759 0.000 0.665 235 G HN 0.647 nan 8.290 nan 0.000 0.528 236 V N 0.251 119.921 119.914 -0.406 0.000 2.323 236 V HA 0.329 4.449 4.120 0.000 0.000 0.244 236 V C 2.114 178.041 176.094 -0.277 0.000 1.041 236 V CA 2.328 64.461 62.300 -0.278 0.000 1.025 236 V CB -0.597 31.084 31.823 -0.236 0.000 0.656 236 V HN 1.189 nan 8.190 nan 0.000 0.451 237 A N -1.435 121.246 122.820 -0.233 0.000 2.269 237 A HA 0.520 4.840 4.320 0.000 0.000 0.319 237 A C 0.632 178.130 177.584 -0.144 0.000 1.110 237 A CA -0.204 51.766 52.037 -0.112 0.000 0.847 237 A CB 0.465 19.441 19.000 -0.040 0.000 1.161 237 A HN 0.470 nan 8.150 nan 0.000 0.497 238 H N -1.207 117.899 119.070 0.061 0.000 2.439 238 H HA 0.200 4.756 4.556 -0.000 0.000 0.299 238 H C 0.091 175.461 175.328 0.070 0.000 1.033 238 H CA 1.707 57.838 56.048 0.139 0.000 1.348 238 H CB 0.195 30.161 29.762 0.340 0.000 1.449 238 H HN 0.773 nan 8.280 nan 0.000 0.544 239 H N -0.402 118.651 119.070 -0.029 0.000 2.895 239 H HA 0.443 4.999 4.556 0.000 0.000 0.373 239 H C -1.305 173.909 175.328 -0.191 0.000 1.174 239 H CA -1.058 54.826 56.048 -0.274 0.000 1.144 239 H CB 1.389 30.655 29.762 -0.826 0.000 1.793 239 H HN 0.069 nan 8.280 nan 0.000 0.551 240 M N 4.231 123.322 119.600 -0.848 0.000 1.999 240 M HA 0.624 5.104 4.480 0.000 0.000 0.299 240 M C -1.473 174.390 176.300 -0.729 0.000 0.900 240 M CA -0.675 54.276 55.300 -0.581 0.000 0.904 240 M CB 0.546 32.964 32.600 -0.303 0.000 1.477 240 M HN 0.713 nan 8.290 nan 0.000 0.403 241 A N 2.714 125.220 122.820 -0.523 0.000 2.302 241 A HA 0.678 4.998 4.320 0.000 0.000 0.285 241 A C 1.047 178.559 177.584 -0.120 0.000 1.105 241 A CA -0.044 51.851 52.037 -0.237 0.000 0.816 241 A CB 0.776 19.789 19.000 0.021 0.000 1.067 241 A HN 1.022 nan 8.150 nan 0.000 0.489 242 G N 0.428 109.194 108.800 -0.056 0.000 2.408 242 G HA2 0.133 4.093 3.960 0.000 0.000 0.217 242 G HA3 0.133 4.093 3.960 0.000 0.000 0.217 242 G C 0.245 175.128 174.900 -0.028 0.000 1.150 242 G CA 1.386 46.461 45.100 -0.042 0.000 0.776 242 G HN 0.974 nan 8.290 nan 0.000 0.542 243 D N -2.748 117.646 120.400 -0.009 0.000 2.559 243 D HA 0.297 4.937 4.640 0.000 0.000 0.250 243 D C 0.764 177.070 176.300 0.009 0.000 1.135 243 D CA -0.784 53.215 54.000 -0.003 0.000 0.955 243 D CB 0.569 41.372 40.800 0.004 0.000 1.442 243 D HN 0.027 nan 8.370 nan 0.000 0.471 244 E N 0.050 120.254 120.200 0.007 0.000 2.038 244 E HA -0.244 4.106 4.350 0.000 0.000 0.195 244 E C 1.392 178.008 176.600 0.027 0.000 1.000 244 E CA 1.204 57.612 56.400 0.013 0.000 0.803 244 E CB -0.098 29.607 29.700 0.009 0.000 0.750 244 E HN 0.394 nan 8.360 nan 0.000 0.448 245 K N 0.935 121.348 120.400 0.022 0.000 2.034 245 K HA -0.222 4.098 4.320 0.000 0.000 0.214 245 K C 1.825 178.453 176.600 0.046 0.000 1.051 245 K CA 2.130 58.432 56.287 0.024 0.000 0.931 245 K CB -0.136 32.374 32.500 0.017 0.000 0.715 245 K HN 0.030 nan 8.250 nan 0.000 0.446 246 D N -0.217 120.220 120.400 0.060 0.000 2.160 246 D HA -0.251 4.389 4.640 0.000 0.000 0.189 246 D C 1.786 178.176 176.300 0.149 0.000 1.003 246 D CA 1.874 55.938 54.000 0.105 0.000 0.846 246 D CB -0.610 40.256 40.800 0.110 0.000 0.949 246 D HN 0.346 nan 8.370 nan 0.000 0.446 247 A N 0.487 123.384 122.820 0.128 0.000 1.892 247 A HA -0.204 4.116 4.320 0.000 0.000 0.218 247 A C 2.595 180.272 177.584 0.155 0.000 1.188 247 A CA 1.917 54.048 52.037 0.156 0.000 0.631 247 A CB -0.930 18.120 19.000 0.083 0.000 0.822 247 A HN 0.180 nan 8.150 nan 0.000 0.447 248 V N 0.081 120.047 119.914 0.088 0.000 2.332 248 V HA -0.267 3.853 4.120 0.000 0.000 0.248 248 V C 2.602 178.730 176.094 0.057 0.000 1.055 248 V CA 2.511 64.842 62.300 0.053 0.000 1.038 248 V CB -0.744 31.087 31.823 0.014 0.000 0.651 248 V HN 0.804 nan 8.190 nan 0.000 0.450 249 E N -0.297 119.946 120.200 0.072 0.000 2.106 249 E HA -0.262 4.088 4.350 0.000 0.000 0.192 249 E C 2.047 178.689 176.600 0.070 0.000 0.984 249 E CA 1.578 58.006 56.400 0.048 0.000 0.806 249 E CB -0.512 29.221 29.700 0.055 0.000 0.750 249 E HN 0.676 nan 8.360 nan 0.000 0.458 250 Y N -0.138 120.189 120.300 0.045 0.000 2.224 250 Y HA -0.165 4.385 4.550 0.000 0.000 0.289 250 Y C 2.022 177.956 175.900 0.056 0.000 1.146 250 Y CA 1.648 59.804 58.100 0.094 0.000 1.182 250 Y CB -0.064 38.429 38.460 0.054 0.000 0.983 250 Y HN -0.026 nan 8.280 nan 0.000 0.524 251 V N 0.413 120.441 119.914 0.189 0.000 2.343 251 V HA -0.325 3.795 4.120 0.000 0.000 0.247 251 V C 2.023 178.073 176.094 -0.073 0.000 1.051 251 V CA 2.343 64.689 62.300 0.075 0.000 1.036 251 V CB -0.555 31.310 31.823 0.070 0.000 0.654 251 V HN 0.336 nan 8.190 nan 0.000 0.451 252 K N -0.482 119.862 120.400 -0.094 0.000 2.211 252 K HA -0.146 4.174 4.320 0.000 0.000 0.203 252 K C 2.288 178.714 176.600 -0.291 0.000 1.050 252 K CA 0.921 57.114 56.287 -0.156 0.000 0.945 252 K CB -0.179 32.248 32.500 -0.120 0.000 0.732 252 K HN 0.384 nan 8.250 nan 0.000 0.451 253 Q N 0.671 120.231 119.800 -0.399 0.000 2.079 253 Q HA -0.047 4.293 4.340 0.000 0.000 0.200 253 Q C 2.218 177.734 176.000 -0.806 0.000 0.974 253 Q CA 1.189 56.548 55.803 -0.740 0.000 0.840 253 Q CB -0.115 27.984 28.738 -1.065 0.000 0.898 253 Q HN 0.371 nan 8.270 nan 0.000 0.430 254 L N 0.209 121.086 121.223 -0.577 0.000 2.046 254 L HA -0.182 4.158 4.340 0.000 0.000 0.208 254 L C 2.445 179.084 176.870 -0.384 0.000 1.077 254 L CA 0.835 55.425 54.840 -0.418 0.000 0.747 254 L CB -0.551 41.333 42.059 -0.292 0.000 0.896 254 L HN 0.175 nan 8.230 nan 0.000 0.432 255 L N -0.319 120.725 121.223 -0.298 0.000 2.046 255 L HA -0.218 4.122 4.340 0.000 0.000 0.208 255 L C 2.954 179.658 176.870 -0.277 0.000 1.077 255 L CA 1.503 56.203 54.840 -0.233 0.000 0.747 255 L CB -0.714 41.255 42.059 -0.151 0.000 0.896 255 L HN 0.428 nan 8.230 nan 0.000 0.432 256 S N -0.291 115.182 115.700 -0.378 0.000 2.380 256 S HA -0.285 4.185 4.470 0.000 0.000 0.229 256 S C 1.925 176.265 174.600 -0.434 0.000 1.043 256 S CA 1.564 59.505 58.200 -0.432 0.000 1.038 256 S CB -0.839 61.970 63.200 -0.653 0.000 0.872 256 S HN 0.422 nan 8.310 nan 0.000 0.456 257 Y N 1.716 121.774 120.300 -0.403 0.000 2.457 257 Y HA 0.426 4.976 4.550 -0.000 0.000 0.292 257 Y C 1.127 176.781 175.900 -0.410 0.000 1.125 257 Y CA -0.085 57.749 58.100 -0.443 0.000 1.254 257 Y CB -0.230 37.761 38.460 -0.782 0.000 1.012 257 Y HN 0.233 nan 8.280 nan 0.000 0.555 258 L N 2.036 123.094 121.223 -0.275 0.000 2.360 258 L HA 0.361 4.701 4.340 0.000 0.000 0.271 258 L C -2.149 174.666 176.870 -0.091 0.000 1.057 258 L CA -2.337 52.358 54.840 -0.241 0.000 0.803 258 L CB 1.097 42.930 42.059 -0.376 0.000 1.207 258 L HN -0.197 nan 8.230 nan 0.000 0.445 259 P HA 0.131 nan 4.420 nan 0.000 0.274 259 P C -0.028 177.310 177.300 0.063 0.000 1.256 259 P CA -0.388 62.736 63.100 0.040 0.000 0.795 259 P CB 0.945 32.696 31.700 0.085 0.000 1.038 260 S N 0.030 115.754 115.700 0.040 0.000 2.402 260 S HA -0.083 4.387 4.470 0.000 0.000 0.229 260 S C 0.844 175.489 174.600 0.076 0.000 1.021 260 S CA 1.286 59.514 58.200 0.046 0.000 0.974 260 S CB -0.723 62.487 63.200 0.017 0.000 0.800 260 S HN 0.788 nan 8.310 nan 0.000 0.484 261 N N -0.126 118.618 118.700 0.074 0.000 2.961 261 N HA 0.155 4.895 4.740 0.000 0.000 0.245 261 N C -1.206 174.333 175.510 0.049 0.000 1.404 261 N CA -0.871 52.219 53.050 0.066 0.000 0.880 261 N CB 0.094 38.593 38.487 0.021 0.000 1.461 261 N HN -0.074 nan 8.380 nan 0.000 0.510 262 N N 0.171 118.872 118.700 0.002 0.000 2.715 262 N HA 0.072 4.812 4.740 0.000 0.000 0.254 262 N C -0.585 174.914 175.510 -0.018 0.000 1.306 262 N CA 0.052 53.085 53.050 -0.028 0.000 0.956 262 N CB -0.163 38.253 38.487 -0.118 0.000 1.296 262 N HN 0.590 nan 8.380 nan 0.000 0.512 263 L N -1.005 120.216 121.223 -0.003 0.000 3.174 263 L HA 0.314 4.654 4.340 0.000 0.000 0.283 263 L C -0.091 176.777 176.870 -0.002 0.000 1.187 263 L CA 0.203 55.038 54.840 -0.008 0.000 1.018 263 L CB 0.134 42.184 42.059 -0.016 0.000 1.433 263 L HN 0.238 nan 8.230 nan 0.000 0.593 264 S N -1.547 114.157 115.700 0.008 0.000 2.607 264 S HA 0.618 5.088 4.470 0.000 0.000 0.303 264 S C -0.379 174.234 174.600 0.023 0.000 1.086 264 S CA -0.736 57.468 58.200 0.007 0.000 0.995 264 S CB 2.476 65.675 63.200 -0.001 0.000 1.084 264 S HN 0.105 nan 8.310 nan 0.000 0.507 265 E N 0.855 121.063 120.200 0.014 0.000 2.242 265 E HA 0.432 4.782 4.350 0.000 0.000 0.275 265 E C -2.621 173.988 176.600 0.014 0.000 1.002 265 E CA -2.536 53.879 56.400 0.025 0.000 0.841 265 E CB 0.718 30.430 29.700 0.020 0.000 1.109 265 E HN 0.304 nan 8.360 nan 0.000 0.394 266 P HA 0.081 nan 4.420 nan 0.000 0.268 266 P C -2.514 174.778 177.300 -0.013 0.000 1.205 266 P CA -0.913 62.195 63.100 0.014 0.000 0.771 266 P CB -0.010 31.710 31.700 0.032 0.000 0.858 267 P HA 0.055 nan 4.420 nan 0.000 0.261 267 P C -0.910 176.348 177.300 -0.071 0.000 1.183 267 P CA 0.426 63.467 63.100 -0.098 0.000 0.761 267 P CB 0.363 32.009 31.700 -0.090 0.000 0.785 268 A N 3.701 126.421 122.820 -0.166 0.000 2.340 268 A HA 0.723 5.043 4.320 0.000 0.000 0.331 268 A C -0.850 176.523 177.584 -0.351 0.000 1.140 268 A CA -0.691 51.290 52.037 -0.094 0.000 0.801 268 A CB 0.669 19.643 19.000 -0.044 0.000 1.234 268 A HN 0.433 nan 8.150 nan 0.000 0.469 269 F N 2.520 122.461 119.950 -0.016 0.000 2.453 269 F HA 0.297 4.824 4.527 0.000 0.000 0.358 269 F C -2.064 173.735 175.800 -0.001 0.000 1.129 269 F CA -1.920 56.072 58.000 -0.014 0.000 1.200 269 F CB 1.311 40.296 39.000 -0.025 0.000 1.431 269 F HN 0.326 nan 8.300 nan 0.000 0.503 270 P HA 0.018 nan 4.420 nan 0.000 0.263 270 P C -0.708 176.641 177.300 0.082 0.000 1.195 270 P CA 0.338 63.484 63.100 0.077 0.000 0.762 270 P CB 0.930 32.650 31.700 0.035 0.000 0.799 271 E N 1.633 121.879 120.200 0.077 0.000 2.277 271 E HA 0.420 4.770 4.350 0.000 0.000 0.266 271 E C -0.640 175.989 176.600 0.049 0.000 0.901 271 E CA -1.016 55.420 56.400 0.060 0.000 0.782 271 E CB 2.076 31.812 29.700 0.060 0.000 1.228 271 E HN 0.431 nan 8.360 nan 0.000 0.424 272 E N 1.320 121.544 120.200 0.039 0.000 2.133 272 E HA 0.423 4.773 4.350 0.000 0.000 0.274 272 E C -1.177 175.443 176.600 0.033 0.000 0.930 272 E CA -0.613 55.807 56.400 0.034 0.000 0.770 272 E CB 1.429 31.144 29.700 0.026 0.000 1.104 272 E HN 0.608 nan 8.360 nan 0.000 0.403 273 A N 4.296 127.138 122.820 0.037 0.000 2.371 273 A HA 0.102 4.422 4.320 0.000 0.000 0.257 273 A C 0.091 177.692 177.584 0.028 0.000 1.089 273 A CA -0.419 51.640 52.037 0.037 0.000 0.794 273 A CB 0.573 19.601 19.000 0.047 0.000 1.029 273 A HN 0.729 nan 8.150 nan 0.000 0.488 274 D N 2.546 122.961 120.400 0.025 0.000 2.393 274 D HA 0.268 4.908 4.640 0.000 0.000 0.232 274 D C -0.196 176.115 176.300 0.019 0.000 1.192 274 D CA -0.080 53.931 54.000 0.018 0.000 0.882 274 D CB 0.420 41.229 40.800 0.015 0.000 1.038 274 D HN 0.440 nan 8.370 nan 0.000 0.499 275 L N 3.177 124.410 121.223 0.016 0.000 2.928 275 L HA 0.325 4.665 4.340 0.000 0.000 0.236 275 L C 0.938 177.814 176.870 0.009 0.000 1.290 275 L CA -0.466 54.383 54.840 0.016 0.000 1.099 275 L CB 0.055 42.120 42.059 0.010 0.000 1.437 275 L HN 0.241 nan 8.230 nan 0.000 0.493 276 A N -0.147 122.679 122.820 0.009 0.000 2.316 276 A HA 0.519 4.839 4.320 0.000 0.000 0.284 276 A C 0.178 177.767 177.584 0.008 0.000 1.115 276 A CA -0.371 51.669 52.037 0.006 0.000 0.812 276 A CB 0.755 19.758 19.000 0.004 0.000 1.064 276 A HN 0.020 nan 8.150 nan 0.000 0.489 277 V N 3.913 123.830 119.914 0.005 0.000 2.381 277 V HA 0.136 4.256 4.120 0.000 0.000 0.257 277 V C 1.289 177.386 176.094 0.004 0.000 1.057 277 V CA 0.499 62.803 62.300 0.006 0.000 1.013 277 V CB -0.552 31.270 31.823 -0.001 0.000 1.069 277 V HN 1.141 nan 8.190 nan 0.000 0.484 278 T N 1.501 116.060 114.554 0.009 0.000 2.681 278 T HA 0.085 4.435 4.350 0.000 0.000 0.333 278 T C 0.700 175.400 174.700 0.000 0.000 1.049 278 T CA -0.191 61.911 62.100 0.003 0.000 1.002 278 T CB 0.545 69.414 68.868 0.001 0.000 1.161 278 T HN 0.513 nan 8.240 nan 0.000 0.519 279 D N -0.912 119.485 120.400 -0.005 0.000 2.354 279 D HA 0.126 4.766 4.640 0.000 0.000 0.209 279 D C 1.939 178.235 176.300 -0.007 0.000 1.015 279 D CA 0.312 54.309 54.000 -0.005 0.000 0.867 279 D CB -0.044 40.752 40.800 -0.007 0.000 0.933 279 D HN 0.674 nan 8.370 nan 0.000 0.520 280 E N 0.629 120.814 120.200 -0.024 0.000 2.028 280 E HA -0.133 4.217 4.350 0.000 0.000 0.190 280 E C 1.224 177.841 176.600 0.027 0.000 0.984 280 E CA 0.766 57.126 56.400 -0.067 0.000 0.800 280 E CB 0.214 29.835 29.700 -0.131 0.000 0.758 280 E HN 0.136 nan 8.360 nan 0.000 0.448 281 D N 0.628 121.058 120.400 0.050 0.000 2.126 281 D HA -0.234 4.406 4.640 0.000 0.000 0.190 281 D C 1.865 178.203 176.300 0.064 0.000 1.001 281 D CA 1.585 55.639 54.000 0.090 0.000 0.841 281 D CB -0.424 40.402 40.800 0.044 0.000 0.949 281 D HN 0.191 nan 8.370 nan 0.000 0.446 282 A N 1.063 123.896 122.820 0.022 0.000 1.940 282 A HA -0.247 4.073 4.320 0.000 0.000 0.219 282 A C 2.025 179.601 177.584 -0.014 0.000 1.176 282 A CA 1.772 53.800 52.037 -0.015 0.000 0.631 282 A CB -0.669 18.323 19.000 -0.014 0.000 0.814 282 A HN 0.301 nan 8.150 nan 0.000 0.446 283 E N -0.172 120.064 120.200 0.061 0.000 2.219 283 E HA -0.187 4.163 4.350 0.000 0.000 0.198 283 E C 1.772 178.370 176.600 -0.003 0.000 0.998 283 E CA 1.021 57.476 56.400 0.091 0.000 0.818 283 E CB -0.368 29.481 29.700 0.248 0.000 0.741 283 E HN 0.687 nan 8.360 nan 0.000 0.477 284 L N 1.015 122.195 121.223 -0.072 0.000 2.083 284 L HA -0.190 4.150 4.340 0.000 0.000 0.209 284 L C 1.672 178.329 176.870 -0.356 0.000 1.083 284 L CA 0.856 55.516 54.840 -0.299 0.000 0.752 284 L CB -0.273 41.572 42.059 -0.357 0.000 0.899 284 L HN 0.026 nan 8.230 nan 0.000 0.433 285 D N -0.745 119.490 120.400 -0.274 0.000 2.392 285 D HA -0.101 4.539 4.640 0.000 0.000 0.228 285 D C 1.870 178.055 176.300 -0.192 0.000 1.003 285 D CA 1.423 55.261 54.000 -0.270 0.000 0.917 285 D CB 0.123 40.812 40.800 -0.185 0.000 0.890 285 D HN 0.481 nan 8.370 nan 0.000 0.532 286 T N -2.479 111.977 114.554 -0.164 0.000 2.987 286 T HA 0.138 4.488 4.350 0.000 0.000 0.248 286 T C 1.694 176.300 174.700 -0.157 0.000 0.997 286 T CA -0.340 61.687 62.100 -0.122 0.000 1.013 286 T CB -0.023 68.801 68.868 -0.074 0.000 1.077 286 T HN 0.105 nan 8.240 nan 0.000 0.483 287 I N 2.705 123.151 120.570 -0.206 0.000 3.686 287 I HA 0.254 4.424 4.170 0.000 0.000 0.308 287 I C -0.747 174.997 176.117 -0.623 0.000 1.254 287 I CA 0.146 61.286 61.300 -0.266 0.000 1.175 287 I CB -0.121 37.760 38.000 -0.198 0.000 1.009 287 I HN -0.003 nan 8.210 nan 0.000 0.459 288 V N 3.815 123.431 119.914 -0.497 0.000 2.304 288 V HA 0.315 4.435 4.120 0.000 0.000 0.269 288 V C -1.962 174.021 176.094 -0.185 0.000 1.036 288 V CA -1.372 60.609 62.300 -0.530 0.000 0.840 288 V CB 0.662 32.358 31.823 -0.211 0.000 1.036 288 V HN 0.208 nan 8.190 nan 0.000 0.466 289 P HA 0.078 nan 4.420 nan 0.000 0.270 289 P C 0.551 177.867 177.300 0.025 0.000 1.227 289 P CA -0.109 62.993 63.100 0.003 0.000 0.788 289 P CB 0.752 32.497 31.700 0.075 0.000 0.926 290 D N -0.828 119.587 120.400 0.025 0.000 2.117 290 D HA -0.075 4.565 4.640 0.000 0.000 0.197 290 D C 0.225 176.556 176.300 0.050 0.000 0.987 290 D CA 1.330 55.349 54.000 0.032 0.000 0.829 290 D CB -0.391 40.423 40.800 0.025 0.000 0.961 290 D HN 0.344 nan 8.370 nan 0.000 0.460 291 S N 0.296 116.030 115.700 0.057 0.000 2.499 291 S HA 0.497 4.967 4.470 0.000 0.000 0.275 291 S C 1.196 175.847 174.600 0.086 0.000 1.257 291 S CA -0.249 57.990 58.200 0.064 0.000 1.050 291 S CB 1.863 65.097 63.200 0.057 0.000 0.937 291 S HN 0.204 nan 8.310 nan 0.000 0.490 292 A N 3.252 126.124 122.820 0.088 0.000 1.917 292 A HA -0.239 4.081 4.320 0.000 0.000 0.219 292 A C 2.156 179.803 177.584 0.104 0.000 1.182 292 A CA 2.067 54.169 52.037 0.107 0.000 0.633 292 A CB -0.917 18.148 19.000 0.110 0.000 0.819 292 A HN 0.799 nan 8.150 nan 0.000 0.448 293 N N 0.120 118.870 118.700 0.083 0.000 2.142 293 N HA -0.143 4.597 4.740 0.000 0.000 0.186 293 N C 1.031 176.583 175.510 0.071 0.000 1.023 293 N CA 1.065 54.156 53.050 0.069 0.000 0.852 293 N CB -0.542 37.978 38.487 0.054 0.000 0.998 293 N HN 0.654 nan 8.380 nan 0.000 0.424 294 Q N 1.153 121.002 119.800 0.081 0.000 2.308 294 Q HA 0.038 4.378 4.340 0.000 0.000 0.313 294 Q C -2.196 173.876 176.000 0.120 0.000 1.075 294 Q CA -1.074 54.783 55.803 0.091 0.000 0.995 294 Q CB 0.600 29.395 28.738 0.094 0.000 1.107 294 Q HN 0.215 nan 8.270 nan 0.000 0.380 295 P HA 0.179 nan 4.420 nan 0.000 0.278 295 P C -1.745 175.634 177.300 0.131 0.000 1.258 295 P CA -0.094 63.028 63.100 0.036 0.000 0.811 295 P CB 0.465 32.159 31.700 -0.009 0.000 1.063 296 Y N -2.209 118.101 120.300 0.015 0.000 2.436 296 Y HA 0.469 5.019 4.550 0.000 0.000 0.327 296 Y C -1.051 174.854 175.900 0.008 0.000 1.138 296 Y CA -1.468 56.642 58.100 0.017 0.000 1.042 296 Y CB 0.644 39.117 38.460 0.022 0.000 1.302 296 Y HN 0.115 nan 8.280 nan 0.000 0.439 297 D N 3.979 124.458 120.400 0.132 0.000 2.382 297 D HA -0.002 4.638 4.640 0.000 0.000 0.259 297 D C 0.775 177.110 176.300 0.058 0.000 1.224 297 D CA 0.199 54.240 54.000 0.069 0.000 0.894 297 D CB 1.359 42.232 40.800 0.122 0.000 1.127 297 D HN 0.839 nan 8.370 nan 0.000 0.487 298 M N 4.589 124.130 119.600 -0.098 0.000 2.374 298 M HA -0.114 4.366 4.480 0.000 0.000 0.264 298 M C 1.433 177.595 176.300 -0.229 0.000 1.067 298 M CA 1.398 56.582 55.300 -0.193 0.000 1.103 298 M CB -0.268 32.147 32.600 -0.308 0.000 1.402 298 M HN 0.485 nan 8.290 nan 0.000 0.444 299 H N -0.892 118.113 119.070 -0.109 0.000 2.426 299 H HA -0.110 4.446 4.556 0.000 0.000 0.298 299 H C 2.023 177.324 175.328 -0.045 0.000 1.107 299 H CA 1.838 57.842 56.048 -0.073 0.000 1.298 299 H CB -0.293 29.486 29.762 0.029 0.000 1.377 299 H HN 0.441 nan 8.280 nan 0.000 0.519 300 S N 0.064 115.839 115.700 0.125 0.000 2.348 300 S HA -0.103 4.367 4.470 0.000 0.000 0.221 300 S C 2.575 177.248 174.600 0.121 0.000 1.033 300 S CA 1.146 59.452 58.200 0.177 0.000 1.010 300 S CB -0.446 62.863 63.200 0.182 0.000 0.891 300 S HN 0.130 nan 8.310 nan 0.000 0.442 301 V N 2.086 121.942 119.914 -0.097 0.000 2.407 301 V HA -0.173 3.947 4.120 0.000 0.000 0.248 301 V C 2.042 177.903 176.094 -0.388 0.000 1.055 301 V CA 1.392 63.557 62.300 -0.224 0.000 1.049 301 V CB -0.820 30.870 31.823 -0.221 0.000 0.662 301 V HN 0.373 nan 8.190 nan 0.000 0.455 302 I N 0.158 120.362 120.570 -0.610 0.000 2.052 302 I HA -0.305 3.865 4.170 0.000 0.000 0.235 302 I C 2.544 178.550 176.117 -0.185 0.000 1.046 302 I CA 2.109 63.030 61.300 -0.632 0.000 1.308 302 I CB -0.472 37.043 38.000 -0.808 0.000 1.031 302 I HN 0.316 nan 8.210 nan 0.000 0.395 303 E N -0.707 119.470 120.200 -0.039 0.000 2.204 303 E HA -0.218 4.132 4.350 0.000 0.000 0.194 303 E C 2.047 178.709 176.600 0.105 0.000 0.989 303 E CA 0.844 57.291 56.400 0.078 0.000 0.824 303 E CB -0.182 29.591 29.700 0.122 0.000 0.756 303 E HN 0.519 nan 8.360 nan 0.000 0.477 304 H N 0.030 119.108 119.070 0.013 0.000 2.289 304 H HA -0.171 4.385 4.556 0.000 0.000 0.294 304 H C 2.299 177.671 175.328 0.073 0.000 1.095 304 H CA 2.148 58.224 56.048 0.047 0.000 1.256 304 H CB -0.390 29.410 29.762 0.063 0.000 1.359 304 H HN 0.165 nan 8.280 nan 0.000 0.487 305 V N -1.416 118.630 119.914 0.220 0.000 2.591 305 V HA 0.038 4.158 4.120 0.000 0.000 0.249 305 V C 1.257 177.453 176.094 0.170 0.000 1.053 305 V CA 0.529 62.959 62.300 0.218 0.000 1.068 305 V CB -0.671 31.333 31.823 0.300 0.000 0.689 305 V HN 0.079 nan 8.190 nan 0.000 0.462 306 L N 0.895 122.208 121.223 0.150 0.000 2.475 306 L HA 0.327 4.667 4.340 0.000 0.000 0.253 306 L C 0.175 177.122 176.870 0.127 0.000 1.198 306 L CA -0.523 54.408 54.840 0.153 0.000 0.814 306 L CB -0.110 42.053 42.059 0.173 0.000 1.134 306 L HN 0.126 nan 8.230 nan 0.000 0.478 307 D N 1.145 121.623 120.400 0.130 0.000 2.493 307 D HA -0.033 4.607 4.640 0.000 0.000 0.240 307 D C 0.295 176.649 176.300 0.091 0.000 1.142 307 D CA 0.521 54.582 54.000 0.101 0.000 0.872 307 D CB 0.288 41.148 40.800 0.101 0.000 1.173 307 D HN 0.471 nan 8.370 nan 0.000 0.467 308 D N 1.990 122.427 120.400 0.061 0.000 2.955 308 D HA -0.293 4.347 4.640 0.000 0.000 0.226 308 D C 0.633 176.970 176.300 0.061 0.000 1.178 308 D CA 1.107 55.136 54.000 0.047 0.000 0.808 308 D CB -1.285 39.538 40.800 0.038 0.000 1.099 308 D HN 0.702 nan 8.370 nan 0.000 0.421 309 A N -0.397 122.466 122.820 0.072 0.000 2.826 309 A HA -0.328 3.992 4.320 0.000 0.000 0.274 309 A C 0.474 178.139 177.584 0.135 0.000 1.443 309 A CA 1.838 53.923 52.037 0.082 0.000 0.833 309 A CB -1.755 17.266 19.000 0.036 0.000 1.023 309 A HN 0.535 nan 8.150 nan 0.000 0.600 310 E N -0.577 119.721 120.200 0.164 0.000 2.130 310 E HA 0.523 4.873 4.350 0.000 0.000 0.284 310 E C -0.901 175.904 176.600 0.342 0.000 1.018 310 E CA -0.648 55.883 56.400 0.217 0.000 0.817 310 E CB 0.250 30.059 29.700 0.181 0.000 1.078 310 E HN 0.473 nan 8.360 nan 0.000 0.396 311 F N 5.988 126.031 119.950 0.154 0.000 2.449 311 F HA 0.365 4.892 4.527 0.000 0.000 0.342 311 F C -1.663 174.259 175.800 0.203 0.000 1.127 311 F CA -1.638 56.456 58.000 0.156 0.000 0.975 311 F CB 0.835 39.901 39.000 0.110 0.000 1.146 311 F HN 0.407 nan 8.300 nan 0.000 0.444 312 F N 6.743 126.510 119.950 -0.305 0.000 2.300 312 F HA 0.344 4.871 4.527 -0.000 0.000 0.364 312 F C 0.047 175.433 175.800 -0.690 0.000 1.090 312 F CA -0.448 57.339 58.000 -0.356 0.000 1.200 312 F CB 0.060 39.037 39.000 -0.038 0.000 1.493 312 F HN 0.590 nan 8.300 nan 0.000 0.518 313 E N 3.413 122.919 120.200 -1.157 0.000 2.331 313 E HA 0.286 4.636 4.350 0.000 0.000 0.272 313 E C -0.391 175.857 176.600 -0.586 0.000 1.036 313 E CA -0.447 55.353 56.400 -0.999 0.000 0.864 313 E CB 0.944 30.247 29.700 -0.662 0.000 1.035 313 E HN 0.586 nan 8.360 nan 0.000 0.408 314 T N 1.302 115.638 114.554 -0.363 0.000 2.925 314 T HA 0.209 4.559 4.350 0.000 0.000 0.285 314 T C 0.042 174.736 174.700 -0.010 0.000 1.021 314 T CA -0.691 61.368 62.100 -0.067 0.000 1.042 314 T CB 1.325 70.246 68.868 0.089 0.000 1.037 314 T HN 0.697 nan 8.240 nan 0.000 0.481 315 Q N 0.282 120.140 119.800 0.097 0.000 2.434 315 Q HA -0.136 4.204 4.340 0.000 0.000 0.299 315 Q C -1.547 174.498 176.000 0.075 0.000 1.286 315 Q CA 0.497 56.357 55.803 0.095 0.000 0.872 315 Q CB -1.337 27.471 28.738 0.117 0.000 1.193 315 Q HN 0.704 nan 8.270 nan 0.000 0.466 316 P HA -0.196 nan 4.420 nan 0.000 0.215 316 P C 1.117 178.438 177.300 0.034 0.000 1.153 316 P CA 1.237 64.353 63.100 0.027 0.000 0.853 316 P CB 0.028 31.735 31.700 0.011 0.000 0.788 317 L N -2.783 118.469 121.223 0.049 0.000 2.478 317 L HA 0.073 4.413 4.340 0.000 0.000 0.223 317 L C 1.201 178.133 176.870 0.104 0.000 1.140 317 L CA 0.193 55.061 54.840 0.046 0.000 0.842 317 L CB -0.432 41.645 42.059 0.031 0.000 0.953 317 L HN -0.082 nan 8.230 nan 0.000 0.452 318 F N 0.897 120.825 119.950 -0.037 0.000 2.426 318 F HA 0.580 5.107 4.527 0.000 0.000 0.348 318 F C 0.593 176.375 175.800 -0.031 0.000 1.124 318 F CA -1.132 56.851 58.000 -0.028 0.000 1.008 318 F CB 0.851 39.836 39.000 -0.025 0.000 1.139 318 F HN -0.030 nan 8.300 nan 0.000 0.452 319 A N 6.645 129.084 122.820 -0.635 0.000 2.183 319 A HA -0.159 4.161 4.320 0.000 0.000 0.278 319 A C -1.991 175.444 177.584 -0.248 0.000 1.404 319 A CA 0.385 52.139 52.037 -0.472 0.000 0.737 319 A CB -1.683 16.997 19.000 -0.532 0.000 1.172 319 A HN 0.623 nan 8.150 nan 0.000 0.338 320 P HA -0.174 nan 4.420 nan 0.000 0.225 320 P C 1.111 178.298 177.300 -0.188 0.000 1.148 320 P CA 1.344 64.336 63.100 -0.181 0.000 0.779 320 P CB -0.222 31.350 31.700 -0.214 0.000 0.780 321 N N -0.035 118.524 118.700 -0.235 0.000 2.571 321 N HA -0.042 4.698 4.740 0.000 0.000 0.189 321 N C 0.642 176.092 175.510 -0.099 0.000 1.154 321 N CA 0.316 53.270 53.050 -0.160 0.000 0.907 321 N CB -0.169 38.280 38.487 -0.064 0.000 0.977 321 N HN 0.286 nan 8.380 nan 0.000 0.449 322 I N 0.021 120.531 120.570 -0.100 0.000 2.722 322 I HA 0.347 4.517 4.170 0.000 0.000 0.295 322 I C -1.583 174.482 176.117 -0.086 0.000 1.161 322 I CA -0.990 60.263 61.300 -0.079 0.000 1.032 322 I CB 2.148 40.124 38.000 -0.040 0.000 1.244 322 I HN -0.183 nan 8.210 nan 0.000 0.421 323 L N 6.151 127.314 121.223 -0.099 0.000 2.325 323 L HA 0.570 4.910 4.340 0.000 0.000 0.281 323 L C -0.512 176.302 176.870 -0.095 0.000 1.004 323 L CA -0.473 54.310 54.840 -0.095 0.000 0.823 323 L CB 1.838 43.780 42.059 -0.196 0.000 1.236 323 L HN 0.573 nan 8.230 nan 0.000 0.415 324 T N -0.455 113.991 114.554 -0.180 0.000 2.863 324 T HA 0.941 5.291 4.350 0.000 0.000 0.285 324 T C -0.058 174.268 174.700 -0.623 0.000 1.009 324 T CA -0.394 61.359 62.100 -0.578 0.000 0.989 324 T CB 2.532 70.811 68.868 -0.982 0.000 1.004 324 T HN 0.844 nan 8.240 nan 0.000 0.455 325 G N 1.129 109.494 108.800 -0.725 0.000 2.356 325 G HA2 0.513 4.473 3.960 0.000 0.000 0.281 325 G HA3 0.513 4.473 3.960 0.000 0.000 0.281 325 G C -2.258 172.491 174.900 -0.252 0.000 1.246 325 G CA -0.890 43.888 45.100 -0.536 0.000 0.889 325 G HN 0.640 nan 8.290 nan 0.000 0.486 326 F N -0.329 119.688 119.950 0.112 0.000 2.588 326 F HA 0.856 5.383 4.527 -0.000 0.000 0.314 326 F C 0.830 176.528 175.800 -0.171 0.000 1.069 326 F CA 0.348 58.210 58.000 -0.230 0.000 0.931 326 F CB 2.318 40.644 39.000 -1.124 0.000 1.260 326 F HN 0.976 nan 8.300 nan 0.000 0.465 327 G N 0.810 109.694 108.800 0.140 0.000 3.008 327 G HA2 0.684 4.644 3.960 0.000 0.000 0.148 327 G HA3 0.684 4.644 3.960 0.000 0.000 0.148 327 G C -1.405 173.753 174.900 0.429 0.000 1.184 327 G CA -0.857 44.446 45.100 0.338 0.000 1.087 327 G HN 0.416 nan 8.290 nan 0.000 0.602 328 R N -1.014 119.678 120.500 0.321 0.000 2.604 328 R HA 0.586 4.926 4.340 0.000 0.000 0.270 328 R C -2.018 174.397 176.300 0.191 0.000 1.052 328 R CA -0.588 55.664 56.100 0.253 0.000 0.902 328 R CB 2.604 33.035 30.300 0.218 0.000 1.233 328 R HN 0.311 nan 8.270 nan 0.000 0.455 329 V N 2.703 122.716 119.914 0.165 0.000 2.398 329 V HA 0.211 4.331 4.120 0.000 0.000 0.282 329 V C 0.345 176.507 176.094 0.113 0.000 1.014 329 V CA -0.354 62.027 62.300 0.136 0.000 0.838 329 V CB 1.046 32.950 31.823 0.135 0.000 1.018 329 V HN 0.928 nan 8.190 nan 0.000 0.432 330 E N 3.297 123.557 120.200 0.100 0.000 3.547 330 E HA -0.230 4.120 4.350 0.000 0.000 0.309 330 E C 1.182 177.841 176.600 0.098 0.000 0.855 330 E CA 0.752 57.204 56.400 0.086 0.000 1.122 330 E CB -1.252 28.492 29.700 0.074 0.000 1.569 330 E HN 1.552 nan 8.360 nan 0.000 0.429 331 G N 0.374 109.244 108.800 0.117 0.000 2.176 331 G HA2 -0.337 3.623 3.960 0.000 0.000 0.253 331 G HA3 -0.337 3.623 3.960 0.000 0.000 0.253 331 G C 0.162 175.162 174.900 0.168 0.000 0.979 331 G CA 0.514 45.704 45.100 0.150 0.000 0.641 331 G HN 0.186 nan 8.290 nan 0.000 0.530 332 R N 0.926 121.510 120.500 0.141 0.000 2.393 332 R HA 0.529 4.869 4.340 0.000 0.000 0.310 332 R C -2.504 173.898 176.300 0.171 0.000 0.968 332 R CA -2.031 54.148 56.100 0.133 0.000 0.867 332 R CB 1.363 31.723 30.300 0.100 0.000 1.124 332 R HN 0.041 nan 8.270 nan 0.000 0.450 333 P HA -0.080 nan 4.420 nan 0.000 0.264 333 P C -1.039 176.394 177.300 0.221 0.000 1.179 333 P CA 0.030 63.282 63.100 0.253 0.000 0.763 333 P CB 0.589 32.407 31.700 0.196 0.000 0.806 334 V N -0.130 119.944 119.914 0.267 0.000 2.969 334 V HA 0.865 4.985 4.120 0.000 0.000 0.304 334 V C -0.303 175.994 176.094 0.339 0.000 1.192 334 V CA -0.884 61.569 62.300 0.254 0.000 0.962 334 V CB 1.894 33.841 31.823 0.207 0.000 1.045 334 V HN 0.623 nan 8.190 nan 0.000 0.428 335 G N 3.841 112.826 108.800 0.309 0.000 2.348 335 G HA2 0.715 4.675 3.960 0.000 0.000 0.312 335 G HA3 0.715 4.675 3.960 0.000 0.000 0.312 335 G C -0.750 174.336 174.900 0.311 0.000 1.126 335 G CA -0.739 44.544 45.100 0.305 0.000 0.865 335 G HN 0.779 nan 8.290 nan 0.000 0.474 336 I N 2.249 123.042 120.570 0.371 0.000 2.418 336 I HA 0.323 4.493 4.170 0.000 0.000 0.287 336 I C -0.648 175.576 176.117 0.178 0.000 1.008 336 I CA -0.735 60.712 61.300 0.245 0.000 1.104 336 I CB 1.671 39.739 38.000 0.114 0.000 1.264 336 I HN 0.046 nan 8.210 nan 0.000 0.438 337 V N 5.027 125.052 119.914 0.185 0.000 2.540 337 V HA 0.875 4.995 4.120 0.000 0.000 0.302 337 V C -0.019 176.150 176.094 0.125 0.000 1.035 337 V CA -0.458 61.916 62.300 0.124 0.000 0.873 337 V CB 1.848 33.782 31.823 0.185 0.000 0.992 337 V HN 0.911 nan 8.190 nan 0.000 0.428 338 A N 3.912 126.757 122.820 0.042 0.000 2.547 338 A HA 0.760 5.080 4.320 0.000 0.000 0.297 338 A C -0.903 176.648 177.584 -0.054 0.000 1.056 338 A CA -0.878 51.171 52.037 0.021 0.000 0.688 338 A CB 1.303 20.276 19.000 -0.046 0.000 1.282 338 A HN 0.855 nan 8.150 nan 0.000 0.400 339 N N 1.268 119.930 118.700 -0.063 0.000 2.488 339 N HA 0.441 5.181 4.740 0.000 0.000 0.274 339 N C -0.377 175.044 175.510 -0.149 0.000 1.111 339 N CA -0.261 52.731 53.050 -0.097 0.000 0.974 339 N CB 1.034 39.465 38.487 -0.093 0.000 1.089 339 N HN 0.626 nan 8.380 nan 0.000 0.465 340 Q N 3.751 123.461 119.800 -0.149 0.000 2.509 340 Q HA 0.366 4.706 4.340 0.000 0.000 0.236 340 Q C -2.259 173.642 176.000 -0.165 0.000 1.073 340 Q CA -2.094 53.603 55.803 -0.177 0.000 0.867 340 Q CB 1.220 29.868 28.738 -0.151 0.000 1.181 340 Q HN 0.323 nan 8.270 nan 0.000 0.526 341 P HA -0.283 nan 4.420 nan 0.000 0.218 341 P C 0.942 178.168 177.300 -0.122 0.000 1.154 341 P CA 1.895 64.877 63.100 -0.196 0.000 0.872 341 P CB -0.001 31.484 31.700 -0.359 0.000 0.790 342 M N -2.134 117.391 119.600 -0.124 0.000 2.260 342 M HA -0.153 4.327 4.480 0.000 0.000 0.261 342 M C 0.328 176.583 176.300 -0.075 0.000 1.066 342 M CA 1.503 56.758 55.300 -0.076 0.000 1.082 342 M CB -0.863 31.704 32.600 -0.055 0.000 1.388 342 M HN 0.063 nan 8.290 nan 0.000 0.419 343 Q N -0.105 119.628 119.800 -0.112 0.000 2.341 343 Q HA 0.370 4.710 4.340 0.000 0.000 0.268 343 Q C -0.020 175.939 176.000 -0.069 0.000 1.013 343 Q CA -0.392 55.288 55.803 -0.206 0.000 0.798 343 Q CB 1.203 29.726 28.738 -0.358 0.000 1.253 343 Q HN 0.460 nan 8.270 nan 0.000 0.457 344 F N 0.918 120.843 119.950 -0.043 0.000 2.871 344 F HA -0.394 4.133 4.527 -0.000 0.000 0.326 344 F C 0.984 176.759 175.800 -0.041 0.000 0.675 344 F CA 0.329 58.305 58.000 -0.040 0.000 1.188 344 F CB -1.150 37.822 39.000 -0.046 0.000 1.567 344 F HN 0.734 nan 8.300 nan 0.000 0.325 345 A N -1.217 121.676 122.820 0.122 0.000 3.410 345 A HA 0.066 4.386 4.320 0.000 0.000 0.253 345 A C 1.753 179.339 177.584 0.004 0.000 1.178 345 A CA 1.625 53.690 52.037 0.046 0.000 1.334 345 A CB -2.004 17.029 19.000 0.056 0.000 1.097 345 A HN 2.334 nan 8.150 nan 0.000 0.921 346 G N -2.653 106.155 108.800 0.012 0.000 2.132 346 G HA2 -0.059 3.901 3.960 0.000 0.000 0.228 346 G HA3 -0.059 3.901 3.960 0.000 0.000 0.228 346 G C 0.404 175.288 174.900 -0.026 0.000 1.000 346 G CA 0.459 45.538 45.100 -0.035 0.000 0.693 346 G HN 1.717 nan 8.290 nan 0.000 0.515 347 C N 0.913 120.230 119.300 0.029 0.000 2.593 347 C HA 0.567 5.027 4.460 0.000 0.000 0.409 347 C C 1.386 176.360 174.990 -0.027 0.000 1.304 347 C CA -0.618 58.384 59.018 -0.027 0.000 2.007 347 C CB -0.183 27.556 27.740 -0.001 0.000 2.614 347 C HN 0.499 nan 8.230 nan 0.000 0.585 348 L N 4.811 125.920 121.223 -0.189 0.000 2.397 348 L HA 0.366 4.706 4.340 0.000 0.000 0.271 348 L C 0.047 177.010 176.870 0.156 0.000 1.148 348 L CA 0.537 55.323 54.840 -0.090 0.000 0.825 348 L CB 0.465 42.322 42.059 -0.336 0.000 1.117 348 L HN 0.750 nan 8.230 nan 0.000 0.456 349 D N 1.210 121.729 120.400 0.199 0.000 2.602 349 D HA 0.251 4.891 4.640 0.000 0.000 0.236 349 D C 0.788 177.177 176.300 0.148 0.000 1.209 349 D CA -0.806 53.301 54.000 0.179 0.000 0.831 349 D CB 0.952 41.819 40.800 0.112 0.000 1.478 349 D HN 0.313 nan 8.370 nan 0.000 0.438 350 I N -0.017 120.619 120.570 0.110 0.000 2.182 350 I HA -0.398 3.772 4.170 0.000 0.000 0.248 350 I C 2.171 178.343 176.117 0.092 0.000 1.073 350 I CA 2.651 64.006 61.300 0.091 0.000 1.335 350 I CB -0.453 37.590 38.000 0.071 0.000 1.031 350 I HN 0.676 nan 8.210 nan 0.000 0.420 351 T N -1.301 113.280 114.554 0.046 0.000 2.857 351 T HA 0.004 4.354 4.350 0.000 0.000 0.266 351 T C 1.932 176.594 174.700 -0.064 0.000 1.048 351 T CA 0.837 62.912 62.100 -0.040 0.000 1.139 351 T CB -0.448 68.237 68.868 -0.305 0.000 0.874 351 T HN 0.385 nan 8.240 nan 0.000 0.455 352 A N 1.654 124.454 122.820 -0.033 0.000 1.968 352 A HA 0.081 4.401 4.320 0.000 0.000 0.217 352 A C 2.596 180.229 177.584 0.080 0.000 1.169 352 A CA 1.503 53.539 52.037 -0.003 0.000 0.638 352 A CB -0.811 18.196 19.000 0.012 0.000 0.812 352 A HN 0.512 nan 8.150 nan 0.000 0.446 353 S N -0.049 115.725 115.700 0.124 0.000 2.428 353 S HA -0.092 4.378 4.470 0.000 0.000 0.230 353 S C 1.672 176.352 174.600 0.133 0.000 1.014 353 S CA 1.222 59.515 58.200 0.155 0.000 0.957 353 S CB -0.147 63.167 63.200 0.190 0.000 0.784 353 S HN 0.720 nan 8.310 nan 0.000 0.499 354 E N 1.319 121.601 120.200 0.137 0.000 2.122 354 E HA -0.035 4.315 4.350 0.000 0.000 0.190 354 E C 2.049 178.748 176.600 0.165 0.000 0.977 354 E CA 0.474 56.959 56.400 0.142 0.000 0.820 354 E CB -0.102 29.694 29.700 0.160 0.000 0.770 354 E HN 0.423 nan 8.360 nan 0.000 0.462 355 K N 1.463 121.990 120.400 0.212 0.000 2.057 355 K HA -0.105 4.215 4.320 0.000 0.000 0.207 355 K C 2.099 178.800 176.600 0.169 0.000 1.049 355 K CA 1.278 57.697 56.287 0.220 0.000 0.931 355 K CB -0.059 32.591 32.500 0.251 0.000 0.714 355 K HN 0.054 nan 8.250 nan 0.000 0.440 356 A N 0.961 123.862 122.820 0.135 0.000 1.930 356 A HA 0.074 4.394 4.320 0.000 0.000 0.215 356 A C 2.320 179.986 177.584 0.136 0.000 1.176 356 A CA 1.335 53.452 52.037 0.134 0.000 0.632 356 A CB -0.599 18.461 19.000 0.101 0.000 0.819 356 A HN 0.476 nan 8.150 nan 0.000 0.445 357 A N -0.040 122.844 122.820 0.107 0.000 1.877 357 A HA -0.164 4.156 4.320 0.000 0.000 0.216 357 A C 2.203 179.839 177.584 0.085 0.000 1.186 357 A CA 1.765 53.845 52.037 0.071 0.000 0.620 357 A CB -0.380 18.668 19.000 0.080 0.000 0.822 357 A HN 0.500 nan 8.150 nan 0.000 0.443 358 R N -2.102 118.469 120.500 0.119 0.000 2.317 358 R HA 0.143 4.483 4.340 0.000 0.000 0.208 358 R C 1.374 177.789 176.300 0.192 0.000 0.914 358 R CA 0.221 56.390 56.100 0.115 0.000 1.060 358 R CB -0.234 30.114 30.300 0.080 0.000 1.015 358 R HN 0.476 nan 8.270 nan 0.000 0.498 359 F N -0.314 119.688 119.950 0.087 0.000 2.147 359 F HA -0.041 4.486 4.527 -0.000 0.000 0.291 359 F C 1.737 177.608 175.800 0.119 0.000 1.093 359 F CA 1.074 59.154 58.000 0.135 0.000 1.263 359 F CB -0.330 38.728 39.000 0.097 0.000 1.036 359 F HN -0.212 nan 8.300 nan 0.000 0.481 360 V N 1.622 121.581 119.914 0.075 0.000 2.252 360 V HA -0.344 3.776 4.120 0.000 0.000 0.249 360 V C 2.620 178.693 176.094 -0.034 0.000 1.056 360 V CA 2.250 64.510 62.300 -0.066 0.000 1.022 360 V CB -0.756 30.951 31.823 -0.193 0.000 0.641 360 V HN 0.280 nan 8.190 nan 0.000 0.445 361 R N -0.136 120.375 120.500 0.018 0.000 2.105 361 R HA -0.150 4.190 4.340 0.000 0.000 0.239 361 R C 2.328 178.680 176.300 0.087 0.000 1.135 361 R CA 1.989 58.120 56.100 0.050 0.000 0.967 361 R CB -1.098 29.239 30.300 0.061 0.000 0.861 361 R HN 0.590 nan 8.270 nan 0.000 0.442 362 T N 0.780 115.412 114.554 0.130 0.000 2.674 362 T HA -0.176 4.174 4.350 0.000 0.000 0.265 362 T C 2.195 177.198 174.700 0.505 0.000 1.039 362 T CA 1.538 63.852 62.100 0.357 0.000 1.150 362 T CB -0.515 68.534 68.868 0.301 0.000 0.864 362 T HN 0.318 nan 8.240 nan 0.000 0.427 363 C N 1.343 120.741 119.300 0.164 0.000 2.413 363 C HA -0.105 4.355 4.460 0.000 0.000 0.276 363 C C 2.689 177.796 174.990 0.194 0.000 1.248 363 C CA 0.730 59.843 59.018 0.159 0.000 1.742 363 C CB -1.097 26.618 27.740 -0.042 0.000 2.017 363 C HN 0.637 nan 8.230 nan 0.000 0.481 364 D N 0.596 121.065 120.400 0.115 0.000 2.097 364 D HA -0.077 4.563 4.640 0.000 0.000 0.197 364 D C 2.188 178.520 176.300 0.054 0.000 0.984 364 D CA 1.674 55.719 54.000 0.075 0.000 0.826 364 D CB -0.220 40.605 40.800 0.042 0.000 0.973 364 D HN 0.371 nan 8.370 nan 0.000 0.460 365 A N -0.834 121.990 122.820 0.006 0.000 2.019 365 A HA -0.085 4.235 4.320 0.000 0.000 0.219 365 A C 1.810 179.240 177.584 -0.257 0.000 1.164 365 A CA 0.946 52.879 52.037 -0.173 0.000 0.644 365 A CB -0.890 17.913 19.000 -0.328 0.000 0.805 365 A HN 0.355 nan 8.150 nan 0.000 0.449 366 F N -1.035 118.934 119.950 0.032 0.000 2.776 366 F HA 0.139 4.666 4.527 0.000 0.000 0.300 366 F C 0.878 176.692 175.800 0.022 0.000 1.116 366 F CA 0.456 58.474 58.000 0.029 0.000 1.375 366 F CB 0.091 39.114 39.000 0.037 0.000 1.109 366 F HN 0.261 nan 8.300 nan 0.000 0.585 367 N N -1.383 117.415 118.700 0.163 0.000 2.979 367 N HA -0.155 4.585 4.740 0.000 0.000 0.234 367 N C -0.479 175.102 175.510 0.120 0.000 0.938 367 N CA 0.568 53.683 53.050 0.108 0.000 0.961 367 N CB -1.765 36.769 38.487 0.078 0.000 1.089 367 N HN 0.030 nan 8.380 nan 0.000 0.576 368 V N 1.864 121.874 119.914 0.159 0.000 2.555 368 V HA 0.244 4.364 4.120 0.000 0.000 0.286 368 V C -1.678 174.495 176.094 0.133 0.000 1.044 368 V CA -0.802 61.584 62.300 0.143 0.000 1.026 368 V CB 0.900 32.817 31.823 0.157 0.000 0.981 368 V HN -0.054 nan 8.190 nan 0.000 0.480 369 P HA 0.214 nan 4.420 nan 0.000 0.270 369 P C -0.867 176.508 177.300 0.125 0.000 1.223 369 P CA -0.073 63.093 63.100 0.110 0.000 0.785 369 P CB 0.609 32.370 31.700 0.102 0.000 0.923 370 V N 3.160 123.139 119.914 0.110 0.000 2.525 370 V HA 0.343 4.463 4.120 0.000 0.000 0.299 370 V C -0.243 175.909 176.094 0.097 0.000 1.034 370 V CA -0.458 61.919 62.300 0.127 0.000 0.863 370 V CB 1.403 33.303 31.823 0.129 0.000 0.999 370 V HN 0.302 nan 8.190 nan 0.000 0.423 371 L N 4.321 125.594 121.223 0.084 0.000 2.305 371 L HA 0.668 5.008 4.340 0.000 0.000 0.284 371 L C -0.082 176.708 176.870 -0.133 0.000 1.013 371 L CA -0.223 54.583 54.840 -0.057 0.000 0.819 371 L CB 1.965 44.001 42.059 -0.039 0.000 1.227 371 L HN 0.533 nan 8.230 nan 0.000 0.417 372 T N 2.782 117.158 114.554 -0.296 0.000 2.792 372 T HA 0.593 4.943 4.350 0.000 0.000 0.280 372 T C -0.658 173.761 174.700 -0.469 0.000 0.990 372 T CA -0.314 61.669 62.100 -0.196 0.000 0.960 372 T CB 0.725 69.571 68.868 -0.036 0.000 0.939 372 T HN 0.086 nan 8.240 nan 0.000 0.439 373 F N 1.885 121.767 119.950 -0.113 0.000 2.444 373 F HA 0.565 5.092 4.527 -0.000 0.000 0.342 373 F C 0.003 175.692 175.800 -0.186 0.000 1.121 373 F CA -1.086 56.800 58.000 -0.190 0.000 0.997 373 F CB 1.483 40.353 39.000 -0.217 0.000 1.130 373 F HN 0.172 nan 8.300 nan 0.000 0.454 374 V N 2.785 122.652 119.914 -0.079 0.000 2.313 374 V HA 0.376 4.496 4.120 0.000 0.000 0.278 374 V C -1.067 174.949 176.094 -0.129 0.000 1.017 374 V CA -0.435 61.799 62.300 -0.110 0.000 0.823 374 V CB 1.290 33.035 31.823 -0.130 0.000 1.010 374 V HN 0.657 nan 8.190 nan 0.000 0.443 375 D N 3.829 124.160 120.400 -0.115 0.000 2.788 375 D HA 0.602 5.242 4.640 0.000 0.000 0.247 375 D C -1.478 174.755 176.300 -0.111 0.000 1.236 375 D CA -0.282 53.645 54.000 -0.122 0.000 0.898 375 D CB 2.194 42.907 40.800 -0.146 0.000 1.401 375 D HN 0.363 nan 8.370 nan 0.000 0.549 376 V N 6.233 126.081 119.914 -0.109 0.000 2.766 376 V HA 0.327 4.447 4.120 0.000 0.000 0.286 376 V C -2.488 173.591 176.094 -0.025 0.000 1.237 376 V CA -1.221 61.022 62.300 -0.095 0.000 0.934 376 V CB 2.553 34.292 31.823 -0.141 0.000 1.068 376 V HN 0.373 nan 8.190 nan 0.000 0.451 377 P HA 0.381 nan 4.420 nan 0.000 0.251 377 P C 0.574 178.008 177.300 0.224 0.000 1.223 377 P CA 1.272 64.551 63.100 0.298 0.000 0.796 377 P CB 0.324 32.139 31.700 0.191 0.000 1.068 378 G N -1.214 107.599 108.800 0.022 0.000 2.302 378 G HA2 0.058 4.018 3.960 0.000 0.000 0.276 378 G HA3 0.058 4.018 3.960 0.000 0.000 0.276 378 G C -1.702 173.053 174.900 -0.242 0.000 1.316 378 G CA -0.921 44.152 45.100 -0.045 0.000 0.988 378 G HN -0.087 nan 8.290 nan 0.000 0.479 379 F N 0.670 120.649 119.950 0.048 0.000 2.443 379 F HA 0.596 5.123 4.527 0.000 0.000 0.335 379 F C 0.689 176.481 175.800 -0.012 0.000 1.104 379 F CA -0.922 57.093 58.000 0.024 0.000 1.013 379 F CB 1.933 40.948 39.000 0.026 0.000 1.136 379 F HN 0.355 nan 8.300 nan 0.000 0.470 380 L N 7.241 128.534 121.223 0.118 0.000 2.407 380 L HA 0.307 4.647 4.340 0.000 0.000 0.282 380 L C -2.120 174.730 176.870 -0.033 0.000 1.110 380 L CA -1.431 53.394 54.840 -0.026 0.000 0.863 380 L CB -0.203 41.760 42.059 -0.161 0.000 1.207 380 L HN 0.389 nan 8.230 nan 0.000 0.454 381 P HA 0.443 nan 4.420 nan 0.000 0.270 381 P C -0.223 177.038 177.300 -0.065 0.000 1.223 381 P CA -0.012 63.070 63.100 -0.030 0.000 0.785 381 P CB 1.077 32.759 31.700 -0.031 0.000 0.923 382 G N -0.971 107.792 108.800 -0.062 0.000 2.347 382 G HA2 0.177 4.137 3.960 0.000 0.000 0.303 382 G HA3 0.177 4.137 3.960 0.000 0.000 0.303 382 G C 0.134 174.973 174.900 -0.101 0.000 1.481 382 G CA -0.482 44.568 45.100 -0.084 0.000 0.914 382 G HN 0.257 nan 8.290 nan 0.000 0.638 383 V N 0.364 120.190 119.914 -0.146 0.000 2.302 383 V HA -0.020 4.100 4.120 0.000 0.000 0.243 383 V C 2.541 178.439 176.094 -0.327 0.000 1.036 383 V CA 2.423 64.567 62.300 -0.260 0.000 1.020 383 V CB -0.575 31.057 31.823 -0.318 0.000 0.657 383 V HN 0.772 nan 8.190 nan 0.000 0.453 384 D N -0.083 120.180 120.400 -0.228 0.000 2.230 384 D HA -0.253 4.387 4.640 0.000 0.000 0.189 384 D C 2.273 178.542 176.300 -0.051 0.000 1.006 384 D CA 1.699 55.627 54.000 -0.120 0.000 0.853 384 D CB -0.291 40.472 40.800 -0.063 0.000 0.959 384 D HN 0.360 nan 8.370 nan 0.000 0.449 385 Q N -0.194 119.578 119.800 -0.047 0.000 2.217 385 Q HA -0.208 4.132 4.340 0.000 0.000 0.209 385 Q C 1.926 177.930 176.000 0.006 0.000 0.988 385 Q CA 1.288 57.084 55.803 -0.012 0.000 0.878 385 Q CB -0.206 28.522 28.738 -0.016 0.000 0.909 385 Q HN 0.404 nan 8.270 nan 0.000 0.424 386 E N -1.105 119.095 120.200 -0.001 0.000 2.472 386 E HA -0.052 4.298 4.350 0.000 0.000 0.196 386 E C 1.250 177.962 176.600 0.186 0.000 1.033 386 E CA 0.252 56.681 56.400 0.048 0.000 0.886 386 E CB 0.236 29.951 29.700 0.024 0.000 0.944 386 E HN 0.280 nan 8.360 nan 0.000 0.492 387 H N 0.198 119.261 119.070 -0.011 0.000 2.355 387 H HA 0.062 4.618 4.556 0.000 0.000 0.303 387 H C 1.186 176.512 175.328 -0.005 0.000 1.061 387 H CA 1.373 57.417 56.048 -0.008 0.000 1.368 387 H CB -0.195 29.564 29.762 -0.005 0.000 1.412 387 H HN 0.162 nan 8.280 nan 0.000 0.523 388 D N -0.035 120.446 120.400 0.135 0.000 2.182 388 D HA -0.031 4.609 4.640 0.000 0.000 0.201 388 D C 0.797 177.129 176.300 0.053 0.000 0.986 388 D CA 1.617 55.665 54.000 0.080 0.000 0.847 388 D CB -0.145 40.692 40.800 0.062 0.000 0.942 388 D HN 0.588 nan 8.370 nan 0.000 0.467 389 G N 0.296 109.124 108.800 0.048 0.000 2.919 389 G HA2 -0.221 3.739 3.960 0.000 0.000 0.225 389 G HA3 -0.221 3.739 3.960 0.000 0.000 0.225 389 G C 0.681 175.586 174.900 0.010 0.000 1.117 389 G CA 0.147 45.260 45.100 0.021 0.000 1.033 389 G HN 0.257 nan 8.290 nan 0.000 0.532 390 I N 0.848 121.417 120.570 -0.002 0.000 2.163 390 I HA -0.108 4.062 4.170 0.000 0.000 0.243 390 I C 2.679 178.757 176.117 -0.065 0.000 1.085 390 I CA 1.887 63.166 61.300 -0.035 0.000 1.347 390 I CB -0.204 37.757 38.000 -0.064 0.000 1.044 390 I HN 0.566 nan 8.210 nan 0.000 0.408 391 I N 0.967 121.500 120.570 -0.060 0.000 2.113 391 I HA -0.424 3.746 4.170 0.000 0.000 0.242 391 I C 2.729 178.818 176.117 -0.046 0.000 1.057 391 I CA 2.511 63.773 61.300 -0.064 0.000 1.314 391 I CB -0.838 37.139 38.000 -0.038 0.000 1.022 391 I HN 0.424 nan 8.210 nan 0.000 0.408 392 R N 1.403 121.887 120.500 -0.026 0.000 2.075 392 R HA -0.058 4.282 4.340 0.000 0.000 0.226 392 R C 2.117 178.411 176.300 -0.011 0.000 1.114 392 R CA 0.970 57.059 56.100 -0.017 0.000 0.972 392 R CB -0.401 29.890 30.300 -0.015 0.000 0.869 392 R HN 0.303 nan 8.270 nan 0.000 0.437 393 R N 0.418 120.915 120.500 -0.005 0.000 2.280 393 R HA 0.197 4.537 4.340 0.000 0.000 0.195 393 R C 2.083 178.400 176.300 0.028 0.000 0.935 393 R CA 0.555 56.664 56.100 0.015 0.000 1.033 393 R CB 0.364 30.682 30.300 0.029 0.000 0.964 393 R HN 0.428 nan 8.270 nan 0.000 0.489 394 G N 0.976 109.770 108.800 -0.009 0.000 2.453 394 G HA2 -0.115 3.845 3.960 0.000 0.000 0.215 394 G HA3 -0.115 3.845 3.960 0.000 0.000 0.215 394 G C 1.550 176.459 174.900 0.016 0.000 1.147 394 G CA 0.503 45.593 45.100 -0.017 0.000 0.802 394 G HN 0.303 nan 8.290 nan 0.000 0.535 395 A N 1.218 124.040 122.820 0.003 0.000 1.948 395 A HA -0.084 4.236 4.320 0.000 0.000 0.220 395 A C 2.208 179.858 177.584 0.110 0.000 1.177 395 A CA 2.170 54.238 52.037 0.052 0.000 0.636 395 A CB -0.440 18.585 19.000 0.042 0.000 0.815 395 A HN 0.358 nan 8.150 nan 0.000 0.449 396 K N -1.100 119.348 120.400 0.080 0.000 2.071 396 K HA -0.248 4.072 4.320 0.000 0.000 0.217 396 K C 1.866 178.556 176.600 0.150 0.000 1.054 396 K CA 1.905 58.244 56.287 0.086 0.000 0.937 396 K CB -0.457 32.074 32.500 0.052 0.000 0.719 396 K HN 0.436 nan 8.250 nan 0.000 0.454 397 L N 1.132 122.443 121.223 0.147 0.000 2.046 397 L HA -0.128 4.212 4.340 0.000 0.000 0.208 397 L C 2.048 179.052 176.870 0.223 0.000 1.077 397 L CA 1.383 56.317 54.840 0.156 0.000 0.747 397 L CB -0.484 41.695 42.059 0.200 0.000 0.896 397 L HN 0.327 nan 8.230 nan 0.000 0.432 398 I N -1.629 119.081 120.570 0.235 0.000 2.163 398 I HA -0.299 3.871 4.170 0.000 0.000 0.243 398 I C 2.350 178.592 176.117 0.207 0.000 1.085 398 I CA 1.918 63.352 61.300 0.223 0.000 1.347 398 I CB -0.685 37.406 38.000 0.151 0.000 1.044 398 I HN 0.261 nan 8.210 nan 0.000 0.408 399 F N 1.507 121.500 119.950 0.072 0.000 2.126 399 F HA -0.230 4.297 4.527 0.000 0.000 0.299 399 F C 2.421 178.248 175.800 0.045 0.000 1.096 399 F CA 2.071 60.101 58.000 0.050 0.000 1.255 399 F CB -0.454 38.567 39.000 0.034 0.000 0.997 399 F HN 0.221 nan 8.300 nan 0.000 0.479 400 A N -0.650 122.339 122.820 0.282 0.000 1.877 400 A HA -0.213 4.107 4.320 0.000 0.000 0.216 400 A C 1.974 179.569 177.584 0.018 0.000 1.186 400 A CA 1.702 53.818 52.037 0.132 0.000 0.620 400 A CB -1.471 17.536 19.000 0.011 0.000 0.822 400 A HN 0.496 nan 8.150 nan 0.000 0.443 401 Y N -0.093 120.239 120.300 0.052 0.000 2.114 401 Y HA -0.127 4.423 4.550 0.000 0.000 0.284 401 Y C 2.974 178.847 175.900 -0.046 0.000 1.143 401 Y CA 0.989 59.092 58.100 0.004 0.000 1.135 401 Y CB -0.777 37.679 38.460 -0.007 0.000 0.980 401 Y HN 0.319 nan 8.280 nan 0.000 0.499 402 A N -0.355 122.511 122.820 0.078 0.000 1.969 402 A HA -0.218 4.102 4.320 0.000 0.000 0.218 402 A C 2.196 179.710 177.584 -0.117 0.000 1.169 402 A CA 1.736 53.742 52.037 -0.051 0.000 0.635 402 A CB -0.681 18.243 19.000 -0.127 0.000 0.810 402 A HN 0.575 nan 8.150 nan 0.000 0.445 403 E N 0.302 120.406 120.200 -0.161 0.000 2.072 403 E HA 0.078 4.428 4.350 0.000 0.000 0.190 403 E C 1.046 177.621 176.600 -0.041 0.000 0.982 403 E CA 0.462 56.774 56.400 -0.147 0.000 0.803 403 E CB -0.249 29.387 29.700 -0.105 0.000 0.755 403 E HN 0.525 nan 8.360 nan 0.000 0.453 404 A N 0.801 123.622 122.820 0.001 0.000 2.546 404 A HA 0.023 4.343 4.320 0.000 0.000 0.243 404 A C 1.120 178.716 177.584 0.021 0.000 1.063 404 A CA 0.656 52.708 52.037 0.025 0.000 0.757 404 A CB 0.334 19.365 19.000 0.050 0.000 0.991 404 A HN 0.459 nan 8.150 nan 0.000 0.503 405 T N 0.620 115.186 114.554 0.019 0.000 2.983 405 T HA 0.138 4.488 4.350 0.000 0.000 0.250 405 T C 0.998 175.715 174.700 0.029 0.000 1.037 405 T CA 0.665 62.775 62.100 0.017 0.000 1.142 405 T CB -1.392 67.482 68.868 0.011 0.000 0.876 405 T HN 1.387 nan 8.240 nan 0.000 0.455 406 V N 0.858 120.796 119.914 0.039 0.000 2.872 406 V HA 0.307 4.427 4.120 0.000 0.000 0.307 406 V C -2.721 173.404 176.094 0.052 0.000 1.072 406 V CA -2.293 60.035 62.300 0.048 0.000 1.148 406 V CB -0.514 31.346 31.823 0.062 0.000 0.954 406 V HN 0.074 nan 8.190 nan 0.000 0.490 407 P HA 0.086 nan 4.420 nan 0.000 0.259 407 P C -0.717 176.614 177.300 0.051 0.000 1.155 407 P CA 0.772 63.898 63.100 0.045 0.000 0.759 407 P CB -0.035 31.694 31.700 0.048 0.000 0.753 408 L N 5.115 126.360 121.223 0.037 0.000 2.345 408 L HA 0.471 4.811 4.340 0.000 0.000 0.274 408 L C 0.032 176.896 176.870 -0.010 0.000 0.999 408 L CA -0.328 54.535 54.840 0.038 0.000 0.849 408 L CB 0.931 43.024 42.059 0.057 0.000 1.220 408 L HN 0.238 nan 8.230 nan 0.000 0.422 409 I N 2.290 122.844 120.570 -0.028 0.000 2.354 409 I HA 0.414 4.584 4.170 0.000 0.000 0.292 409 I C -0.067 175.952 176.117 -0.164 0.000 0.989 409 I CA -0.221 61.033 61.300 -0.078 0.000 1.188 409 I CB 2.027 39.993 38.000 -0.056 0.000 1.342 409 I HN 0.488 nan 8.210 nan 0.000 0.457 410 T N 5.421 119.862 114.554 -0.190 0.000 2.888 410 T HA 0.622 4.972 4.350 0.000 0.000 0.284 410 T C -0.370 174.155 174.700 -0.292 0.000 1.017 410 T CA -0.568 61.374 62.100 -0.263 0.000 1.022 410 T CB 2.393 71.120 68.868 -0.235 0.000 1.013 410 T HN 0.247 nan 8.240 nan 0.000 0.465 411 V N 3.244 122.926 119.914 -0.387 0.000 2.532 411 V HA 0.385 4.505 4.120 0.000 0.000 0.294 411 V C -0.551 175.308 176.094 -0.393 0.000 1.036 411 V CA -0.769 61.303 62.300 -0.381 0.000 0.876 411 V CB 1.439 33.013 31.823 -0.414 0.000 1.012 411 V HN 0.811 nan 8.190 nan 0.000 0.432 412 I N 4.604 124.969 120.570 -0.341 0.000 2.322 412 I HA 0.209 4.379 4.170 0.000 0.000 0.292 412 I C 1.697 177.543 176.117 -0.450 0.000 1.060 412 I CA 0.083 61.200 61.300 -0.306 0.000 1.309 412 I CB 1.601 39.490 38.000 -0.184 0.000 1.415 412 I HN 0.848 nan 8.210 nan 0.000 0.492 413 T N 2.972 117.235 114.554 -0.486 0.000 2.814 413 T HA 0.010 4.360 4.350 0.000 0.000 0.254 413 T C 1.664 176.317 174.700 -0.078 0.000 1.037 413 T CA 0.755 62.558 62.100 -0.494 0.000 1.143 413 T CB 0.214 68.838 68.868 -0.406 0.000 0.866 413 T HN 0.566 nan 8.240 nan 0.000 0.431 414 R N 0.312 120.776 120.500 -0.059 0.000 3.069 414 R HA 0.452 4.792 4.340 0.000 0.000 0.141 414 R C -0.406 175.826 176.300 -0.115 0.000 1.845 414 R CA -0.305 55.793 56.100 -0.003 0.000 1.419 414 R CB 0.747 31.103 30.300 0.094 0.000 1.346 414 R HN 0.047 nan 8.270 nan 0.000 0.467 415 K N 0.275 120.580 120.400 -0.158 0.000 2.206 415 K HA 0.594 4.914 4.320 0.000 0.000 0.264 415 K C -1.641 174.720 176.600 -0.399 0.000 0.967 415 K CA -0.332 55.751 56.287 -0.341 0.000 0.844 415 K CB 2.096 34.502 32.500 -0.156 0.000 1.099 415 K HN 0.402 nan 8.250 nan 0.000 0.441 416 A N 4.205 126.614 122.820 -0.684 0.000 2.872 416 A HA 0.441 4.761 4.320 0.000 0.000 0.305 416 A C -1.540 175.791 177.584 -0.422 0.000 1.171 416 A CA -0.645 51.166 52.037 -0.377 0.000 0.782 416 A CB 0.053 18.947 19.000 -0.177 0.000 1.329 416 A HN 0.510 nan 8.150 nan 0.000 0.432 417 F N 1.084 121.069 119.950 0.058 0.000 2.492 417 F HA 0.723 5.250 4.527 -0.000 0.000 0.327 417 F C 1.264 177.140 175.800 0.126 0.000 1.079 417 F CA 0.212 58.252 58.000 0.066 0.000 0.967 417 F CB 1.636 40.662 39.000 0.043 0.000 1.169 417 F HN 1.042 nan 8.300 nan 0.000 0.472 418 G N 1.500 110.507 108.800 0.345 0.000 2.581 418 G HA2 -0.213 3.747 3.960 0.000 0.000 0.289 418 G HA3 -0.213 3.747 3.960 0.000 0.000 0.289 418 G C 1.246 176.324 174.900 0.297 0.000 1.303 418 G CA 0.084 45.348 45.100 0.274 0.000 0.931 418 G HN 1.310 nan 8.290 nan 0.000 0.555 419 G N -0.546 108.418 108.800 0.274 0.000 2.507 419 G HA2 0.106 4.066 3.960 0.000 0.000 0.221 419 G HA3 0.106 4.066 3.960 0.000 0.000 0.221 419 G C 2.042 177.146 174.900 0.341 0.000 1.119 419 G CA 2.822 48.084 45.100 0.271 0.000 0.751 419 G HN 1.926 nan 8.290 nan 0.000 0.574 420 A N -0.439 122.615 122.820 0.389 0.000 2.119 420 A HA 0.138 4.458 4.320 0.000 0.000 0.217 420 A C 1.995 179.626 177.584 0.080 0.000 1.153 420 A CA 1.429 53.544 52.037 0.130 0.000 0.692 420 A CB -0.422 18.364 19.000 -0.356 0.000 0.799 420 A HN 0.539 nan 8.150 nan 0.000 0.458 421 Y N 0.907 121.225 120.300 0.031 0.000 2.109 421 Y HA -0.185 4.365 4.550 0.000 0.000 0.285 421 Y C 1.834 177.739 175.900 0.008 0.000 1.131 421 Y CA 1.772 59.867 58.100 -0.009 0.000 1.121 421 Y CB -0.647 37.819 38.460 0.010 0.000 0.987 421 Y HN 0.203 nan 8.280 nan 0.000 0.495 422 L N -0.517 120.512 121.223 -0.324 0.000 1.978 422 L HA -0.313 4.027 4.340 0.000 0.000 0.218 422 L C 2.445 179.171 176.870 -0.240 0.000 1.075 422 L CA 1.839 56.456 54.840 -0.371 0.000 0.767 422 L CB -1.348 40.650 42.059 -0.102 0.000 0.890 422 L HN 0.185 nan 8.230 nan 0.000 0.434 423 V N -0.854 119.043 119.914 -0.029 0.000 2.231 423 V HA -0.297 3.823 4.120 0.000 0.000 0.250 423 V C 1.637 177.696 176.094 -0.058 0.000 1.058 423 V CA 1.487 63.835 62.300 0.081 0.000 1.022 423 V CB -0.519 31.465 31.823 0.268 0.000 0.640 423 V HN 0.395 nan 8.190 nan 0.000 0.445 424 M N 0.944 120.461 119.600 -0.138 0.000 3.268 424 M HA 0.222 4.702 4.480 0.000 0.000 0.249 424 M C 1.271 177.219 176.300 -0.585 0.000 1.527 424 M CA 0.452 55.630 55.300 -0.203 0.000 1.645 424 M CB -1.366 31.169 32.600 -0.108 0.000 1.193 424 M HN 0.526 nan 8.290 nan 0.000 0.534 425 G N 2.522 110.458 108.800 -1.440 0.000 2.421 425 G HA2 -0.248 3.712 3.960 0.000 0.000 0.300 425 G HA3 -0.248 3.712 3.960 0.000 0.000 0.300 425 G C 0.506 175.005 174.900 -0.668 0.000 0.974 425 G CA 0.600 44.825 45.100 -1.459 0.000 1.062 425 G HN 0.782 nan 8.290 nan 0.000 0.514 426 S N -1.272 114.068 115.700 -0.600 0.000 2.600 426 S HA 0.371 4.841 4.470 0.000 0.000 0.265 426 S C 1.484 175.828 174.600 -0.426 0.000 1.325 426 S CA 0.332 58.213 58.200 -0.533 0.000 1.002 426 S CB 1.638 64.409 63.200 -0.716 0.000 0.921 426 S HN 0.537 nan 8.310 nan 0.000 0.554 427 K N 0.032 120.150 120.400 -0.470 0.000 2.148 427 K HA -0.129 4.191 4.320 0.000 0.000 0.204 427 K C 1.714 178.100 176.600 -0.357 0.000 1.050 427 K CA 1.227 57.287 56.287 -0.379 0.000 0.942 427 K CB -0.339 31.957 32.500 -0.339 0.000 0.724 427 K HN 0.748 nan 8.250 nan 0.000 0.446 428 H N 0.363 119.306 119.070 -0.212 0.000 2.489 428 H HA -0.106 4.450 4.556 0.000 0.000 0.293 428 H C 1.748 176.985 175.328 -0.152 0.000 1.066 428 H CA 1.044 56.974 56.048 -0.197 0.000 1.305 428 H CB -0.027 29.589 29.762 -0.243 0.000 1.386 428 H HN 0.245 nan 8.280 nan 0.000 0.551 429 L N -0.444 120.727 121.223 -0.085 0.000 2.591 429 L HA 0.154 4.494 4.340 0.000 0.000 0.228 429 L C 1.410 178.242 176.870 -0.063 0.000 1.133 429 L CA 0.565 55.363 54.840 -0.069 0.000 0.880 429 L CB 0.361 42.373 42.059 -0.077 0.000 1.033 429 L HN 0.418 nan 8.230 nan 0.000 0.450 430 G N -0.136 108.614 108.800 -0.083 0.000 2.148 430 G HA2 -0.195 3.765 3.960 0.000 0.000 0.203 430 G HA3 -0.195 3.765 3.960 0.000 0.000 0.203 430 G C 0.344 175.207 174.900 -0.061 0.000 0.993 430 G CA -0.197 44.867 45.100 -0.061 0.000 0.661 430 G HN 0.405 nan 8.290 nan 0.000 0.518 431 A N 0.543 123.300 122.820 -0.106 0.000 2.492 431 A HA 0.505 4.825 4.320 0.000 0.000 0.254 431 A C 1.353 178.891 177.584 -0.077 0.000 1.091 431 A CA 0.884 52.862 52.037 -0.099 0.000 0.768 431 A CB 0.288 19.183 19.000 -0.175 0.000 1.028 431 A HN 0.258 nan 8.150 nan 0.000 0.498 432 D N 0.959 121.333 120.400 -0.044 0.000 2.088 432 D HA -0.085 4.555 4.640 0.000 0.000 0.191 432 D C 0.005 176.286 176.300 -0.032 0.000 0.992 432 D CA 1.555 55.539 54.000 -0.027 0.000 0.831 432 D CB -0.055 40.741 40.800 -0.007 0.000 0.973 432 D HN 0.321 nan 8.370 nan 0.000 0.447 433 L N 1.069 122.270 121.223 -0.037 0.000 2.372 433 L HA 0.290 4.630 4.340 0.000 0.000 0.274 433 L C -1.115 175.713 176.870 -0.070 0.000 0.988 433 L CA -0.447 54.373 54.840 -0.032 0.000 0.833 433 L CB 1.477 43.538 42.059 0.003 0.000 1.236 433 L HN -0.185 nan 8.230 nan 0.000 0.410 434 N N 4.332 122.986 118.700 -0.076 0.000 2.564 434 N HA 0.552 5.292 4.740 0.000 0.000 0.248 434 N C -0.939 174.510 175.510 -0.102 0.000 0.986 434 N CA -0.585 52.404 53.050 -0.102 0.000 0.921 434 N CB 1.267 39.697 38.487 -0.095 0.000 1.136 434 N HN 0.206 nan 8.380 nan 0.000 0.509 435 L N 1.192 122.334 121.223 -0.134 0.000 2.399 435 L HA 0.845 5.185 4.340 0.000 0.000 0.265 435 L C 0.403 177.197 176.870 -0.128 0.000 1.089 435 L CA -1.116 53.637 54.840 -0.145 0.000 0.802 435 L CB 0.506 42.462 42.059 -0.171 0.000 1.180 435 L HN 0.499 nan 8.230 nan 0.000 0.454 436 A N 0.712 123.483 122.820 -0.082 0.000 2.429 436 A HA 0.583 4.903 4.320 0.000 0.000 0.289 436 A C -1.335 176.304 177.584 0.093 0.000 1.043 436 A CA -0.629 51.366 52.037 -0.070 0.000 0.722 436 A CB 0.571 19.502 19.000 -0.115 0.000 1.243 436 A HN 0.488 nan 8.150 nan 0.000 0.415 437 W N 2.421 123.656 121.300 -0.109 0.000 2.093 437 W HA 0.371 5.031 4.660 0.000 0.000 0.352 437 W C -1.859 174.595 176.519 -0.108 0.000 1.294 437 W CA -1.507 55.783 57.345 -0.092 0.000 1.290 437 W CB -0.351 29.075 29.460 -0.056 0.000 1.149 437 W HN 0.504 nan 8.180 nan 0.000 0.606 438 P HA -0.177 nan 4.420 nan 0.000 0.218 438 P C 1.383 178.734 177.300 0.085 0.000 1.146 438 P CA 2.699 65.834 63.100 0.058 0.000 0.813 438 P CB -0.059 31.675 31.700 0.056 0.000 0.778 439 T N -3.713 110.922 114.554 0.135 0.000 3.067 439 T HA 0.235 4.585 4.350 0.000 0.000 0.261 439 T C 1.044 175.786 174.700 0.070 0.000 1.110 439 T CA 0.143 62.312 62.100 0.116 0.000 1.113 439 T CB -0.782 68.179 68.868 0.155 0.000 0.917 439 T HN 0.070 nan 8.240 nan 0.000 0.499 440 A N 1.914 124.756 122.820 0.036 0.000 2.565 440 A HA 0.246 4.566 4.320 0.000 0.000 0.237 440 A C 0.156 177.697 177.584 -0.072 0.000 1.053 440 A CA -0.024 51.981 52.037 -0.053 0.000 0.755 440 A CB -0.107 18.836 19.000 -0.095 0.000 0.980 440 A HN 0.634 nan 8.150 nan 0.000 0.506 441 Q N 1.532 121.245 119.800 -0.145 0.000 2.363 441 Q HA 0.549 4.889 4.340 0.000 0.000 0.265 441 Q C -1.321 174.468 176.000 -0.352 0.000 1.032 441 Q CA 0.021 55.722 55.803 -0.171 0.000 0.746 441 Q CB 1.740 30.414 28.738 -0.106 0.000 1.237 441 Q HN 0.685 nan 8.270 nan 0.000 0.475 442 I N 2.137 122.569 120.570 -0.230 0.000 2.464 442 I HA 0.729 4.899 4.170 0.000 0.000 0.277 442 I C -0.619 175.404 176.117 -0.155 0.000 1.040 442 I CA -0.576 60.537 61.300 -0.312 0.000 1.153 442 I CB 1.255 39.036 38.000 -0.366 0.000 1.274 442 I HN 0.585 nan 8.210 nan 0.000 0.469 443 A N 4.164 126.979 122.820 -0.009 0.000 2.594 443 A HA 0.533 4.853 4.320 0.000 0.000 0.296 443 A C 0.686 178.455 177.584 0.308 0.000 1.061 443 A CA -0.606 51.545 52.037 0.191 0.000 0.689 443 A CB 1.116 20.308 19.000 0.321 0.000 1.280 443 A HN 0.461 nan 8.150 nan 0.000 0.406 444 V N -0.327 119.720 119.914 0.221 0.000 2.277 444 V HA -0.123 3.997 4.120 0.000 0.000 0.253 444 V C 0.920 177.132 176.094 0.197 0.000 1.067 444 V CA 2.517 64.929 62.300 0.188 0.000 1.047 444 V CB -1.699 30.206 31.823 0.136 0.000 0.649 444 V HN 1.434 nan 8.190 nan 0.000 0.447 445 M N -1.609 118.080 119.600 0.148 0.000 2.643 445 M HA 0.696 5.176 4.480 0.000 0.000 0.276 445 M C -0.206 175.903 176.300 -0.318 0.000 1.200 445 M CA -0.238 55.020 55.300 -0.071 0.000 0.863 445 M CB 1.407 33.964 32.600 -0.072 0.000 1.711 445 M HN 0.156 nan 8.290 nan 0.000 0.492 446 G N 0.526 108.918 108.800 -0.680 0.000 2.559 446 G HA2 0.416 4.376 3.960 0.000 0.000 0.235 446 G HA3 0.416 4.376 3.960 0.000 0.000 0.235 446 G C 0.740 175.423 174.900 -0.362 0.000 1.266 446 G CA 0.035 44.702 45.100 -0.722 0.000 0.847 446 G HN 1.065 nan 8.290 nan 0.000 0.583 447 A N 0.887 123.569 122.820 -0.231 0.000 1.929 447 A HA -0.080 4.240 4.320 0.000 0.000 0.216 447 A C 2.218 179.633 177.584 -0.283 0.000 1.176 447 A CA 1.904 53.803 52.037 -0.229 0.000 0.628 447 A CB -0.491 18.550 19.000 0.068 0.000 0.816 447 A HN 0.773 nan 8.150 nan 0.000 0.444 448 Q N -0.367 119.328 119.800 -0.174 0.000 2.096 448 Q HA -0.101 4.239 4.340 0.000 0.000 0.204 448 Q C 1.585 177.482 176.000 -0.172 0.000 0.982 448 Q CA 1.717 57.436 55.803 -0.140 0.000 0.850 448 Q CB -0.482 28.200 28.738 -0.094 0.000 0.901 448 Q HN 0.494 nan 8.270 nan 0.000 0.422 449 G N -1.265 107.414 108.800 -0.203 0.000 3.314 449 G HA2 0.350 4.310 3.960 0.000 0.000 0.238 449 G HA3 0.350 4.310 3.960 0.000 0.000 0.238 449 G C 0.705 175.467 174.900 -0.230 0.000 1.184 449 G CA 0.370 45.359 45.100 -0.184 0.000 0.806 449 G HN 0.414 nan 8.290 nan 0.000 0.536 450 A N 0.101 122.707 122.820 -0.357 0.000 1.970 450 A HA 0.284 4.604 4.320 0.000 0.000 0.204 450 A C 2.453 179.765 177.584 -0.454 0.000 1.325 450 A CA 1.199 52.957 52.037 -0.465 0.000 0.767 450 A CB -0.453 18.023 19.000 -0.874 0.000 0.949 450 A HN 0.637 nan 8.150 nan 0.000 0.481 451 V N -0.295 119.342 119.914 -0.461 0.000 2.407 451 V HA -0.265 3.855 4.120 0.000 0.000 0.248 451 V C 1.872 177.867 176.094 -0.165 0.000 1.055 451 V CA 2.400 64.529 62.300 -0.285 0.000 1.049 451 V CB -1.481 30.280 31.823 -0.104 0.000 0.662 451 V HN 0.403 nan 8.190 nan 0.000 0.455 452 N N 1.551 120.168 118.700 -0.139 0.000 2.027 452 N HA -0.183 4.557 4.740 0.000 0.000 0.200 452 N C 1.745 177.204 175.510 -0.086 0.000 1.042 452 N CA 2.670 55.669 53.050 -0.084 0.000 0.871 452 N CB -0.594 37.840 38.487 -0.087 0.000 1.063 452 N HN 0.559 nan 8.380 nan 0.000 0.438 453 I N 0.038 120.534 120.570 -0.124 0.000 2.716 453 I HA -0.076 4.094 4.170 0.000 0.000 0.259 453 I C 1.850 177.905 176.117 -0.102 0.000 1.172 453 I CA 0.498 61.743 61.300 -0.092 0.000 1.478 453 I CB -0.248 37.700 38.000 -0.086 0.000 1.104 453 I HN 0.077 nan 8.210 nan 0.000 0.439 454 L N 0.157 121.266 121.223 -0.191 0.000 2.044 454 L HA -0.113 4.227 4.340 0.000 0.000 0.205 454 L C 1.070 177.829 176.870 -0.185 0.000 1.075 454 L CA 1.096 55.779 54.840 -0.261 0.000 0.747 454 L CB -0.400 41.363 42.059 -0.493 0.000 0.903 454 L HN 0.309 nan 8.230 nan 0.000 0.435 455 H N 0.131 119.192 119.070 -0.015 0.000 2.423 455 H HA 0.239 4.795 4.556 0.000 0.000 0.227 455 H C 0.336 175.655 175.328 -0.014 0.000 1.596 455 H CA -0.031 56.012 56.048 -0.008 0.000 1.207 455 H CB 0.125 29.884 29.762 -0.006 0.000 1.595 455 H HN 0.112 nan 8.280 nan 0.000 0.534 456 R N 1.280 121.829 120.500 0.082 0.000 2.586 456 R HA 0.159 4.499 4.340 0.000 0.000 0.336 456 R C -0.070 176.252 176.300 0.037 0.000 1.060 456 R CA 0.022 56.147 56.100 0.041 0.000 1.079 456 R CB 0.321 30.627 30.300 0.011 0.000 1.317 456 R HN 0.246 nan 8.270 nan 0.000 0.568 457 R N -2.198 118.333 120.500 0.052 0.000 2.496 457 R HA 0.170 4.510 4.340 0.000 0.000 0.369 457 R C 0.397 176.716 176.300 0.032 0.000 0.896 457 R CA 0.043 56.163 56.100 0.035 0.000 1.147 457 R CB 1.006 31.324 30.300 0.031 0.000 1.697 457 R HN -0.085 nan 8.270 nan 0.000 0.518 458 T N -0.261 114.317 114.554 0.041 0.000 3.003 458 T HA 0.206 4.556 4.350 0.000 0.000 0.261 458 T C 0.806 175.499 174.700 -0.012 0.000 1.003 458 T CA 0.206 62.306 62.100 0.000 0.000 0.917 458 T CB 0.384 69.226 68.868 -0.044 0.000 1.084 458 T HN 0.035 nan 8.240 nan 0.000 0.522 459 I N 0.788 121.368 120.570 0.017 0.000 4.057 459 I HA 0.467 4.637 4.170 0.000 0.000 0.334 459 I C 1.915 178.037 176.117 0.008 0.000 1.308 459 I CA 0.116 61.423 61.300 0.010 0.000 1.125 459 I CB 0.078 38.096 38.000 0.029 0.000 1.034 459 I HN 0.102 nan 8.210 nan 0.000 0.401 460 A N -0.646 122.180 122.820 0.010 0.000 1.943 460 A HA 0.057 4.377 4.320 0.000 0.000 0.213 460 A C 0.747 178.332 177.584 0.002 0.000 1.181 460 A CA 0.389 52.430 52.037 0.006 0.000 0.653 460 A CB -0.533 18.472 19.000 0.008 0.000 0.833 460 A HN 0.364 nan 8.150 nan 0.000 0.451 461 D N 0.205 120.606 120.400 0.001 0.000 2.450 461 D HA 0.410 5.050 4.640 0.000 0.000 0.247 461 D C 0.528 176.824 176.300 -0.005 0.000 1.162 461 D CA 1.521 55.519 54.000 -0.002 0.000 0.879 461 D CB 0.313 41.110 40.800 -0.004 0.000 1.163 461 D HN 0.780 nan 8.370 nan 0.000 0.472 462 A N 2.680 125.497 122.820 -0.005 0.000 2.546 462 A HA -0.090 4.230 4.320 0.000 0.000 0.295 462 A C 1.791 179.371 177.584 -0.005 0.000 1.455 462 A CA 0.669 52.702 52.037 -0.005 0.000 0.730 462 A CB -1.780 17.216 19.000 -0.007 0.000 1.111 462 A HN 0.809 nan 8.150 nan 0.000 0.411 463 G N 0.095 108.893 108.800 -0.004 0.000 2.568 463 G HA2 -0.019 3.941 3.960 0.000 0.000 0.220 463 G HA3 -0.019 3.941 3.960 0.000 0.000 0.220 463 G C 0.459 175.356 174.900 -0.004 0.000 1.104 463 G CA 1.136 46.234 45.100 -0.003 0.000 0.738 463 G HN 1.120 nan 8.290 nan 0.000 0.574 464 D N 0.386 120.783 120.400 -0.004 0.000 2.339 464 D HA 0.235 4.875 4.640 0.000 0.000 0.256 464 D C 0.211 176.508 176.300 -0.006 0.000 1.214 464 D CA -0.239 53.758 54.000 -0.005 0.000 0.877 464 D CB 0.146 40.943 40.800 -0.004 0.000 1.111 464 D HN 0.090 nan 8.370 nan 0.000 0.478 465 D N 2.377 122.774 120.400 -0.005 0.000 2.947 465 D HA -0.211 4.429 4.640 0.000 0.000 0.224 465 D C 0.952 177.248 176.300 -0.007 0.000 1.132 465 D CA 0.758 54.754 54.000 -0.006 0.000 0.801 465 D CB -1.252 39.544 40.800 -0.007 0.000 1.097 465 D HN 0.481 nan 8.370 nan 0.000 0.431 466 A N 0.390 123.206 122.820 -0.006 0.000 1.841 466 A HA -0.222 4.098 4.320 0.000 0.000 0.216 466 A C 2.115 179.696 177.584 -0.005 0.000 1.199 466 A CA 1.996 54.030 52.037 -0.006 0.000 0.621 466 A CB -0.215 18.783 19.000 -0.004 0.000 0.835 466 A HN 0.229 nan 8.150 nan 0.000 0.445 467 E N -0.081 120.117 120.200 -0.003 0.000 2.077 467 E HA -0.050 4.300 4.350 0.000 0.000 0.193 467 E C 2.236 178.835 176.600 -0.001 0.000 0.989 467 E CA 1.375 57.774 56.400 -0.002 0.000 0.800 467 E CB -0.583 29.116 29.700 -0.002 0.000 0.746 467 E HN 0.568 nan 8.360 nan 0.000 0.452 468 A N 0.523 123.341 122.820 -0.003 0.000 1.927 468 A HA -0.293 4.027 4.320 0.000 0.000 0.220 468 A C 2.434 180.015 177.584 -0.005 0.000 1.185 468 A CA 2.790 54.825 52.037 -0.003 0.000 0.639 468 A CB -1.422 17.576 19.000 -0.004 0.000 0.820 468 A HN 0.475 nan 8.150 nan 0.000 0.451 469 T N -1.851 112.697 114.554 -0.011 0.000 2.701 469 T HA -0.194 4.156 4.350 0.000 0.000 0.263 469 T C 2.015 176.708 174.700 -0.011 0.000 1.040 469 T CA 1.375 63.463 62.100 -0.020 0.000 1.147 469 T CB -0.425 68.423 68.868 -0.033 0.000 0.865 469 T HN 0.553 nan 8.240 nan 0.000 0.426 470 R N 1.783 122.282 120.500 -0.002 0.000 2.105 470 R HA 0.059 4.399 4.340 0.000 0.000 0.239 470 R C 2.457 178.770 176.300 0.022 0.000 1.135 470 R CA 1.418 57.527 56.100 0.015 0.000 0.967 470 R CB -0.677 29.631 30.300 0.012 0.000 0.861 470 R HN 0.496 nan 8.270 nan 0.000 0.442 471 A N 0.458 123.286 122.820 0.014 0.000 2.208 471 A HA 0.011 4.331 4.320 0.000 0.000 0.209 471 A C 2.004 179.603 177.584 0.025 0.000 1.161 471 A CA 0.290 52.338 52.037 0.018 0.000 0.782 471 A CB -0.340 18.667 19.000 0.012 0.000 0.816 471 A HN 0.380 nan 8.150 nan 0.000 0.477 472 R N -0.054 120.458 120.500 0.020 0.000 2.064 472 R HA -0.038 4.303 4.340 0.000 0.000 0.228 472 R C 1.610 177.938 176.300 0.046 0.000 1.144 472 R CA 1.700 57.813 56.100 0.023 0.000 0.932 472 R CB -0.427 29.875 30.300 0.003 0.000 0.833 472 R HN 0.460 nan 8.270 nan 0.000 0.429 473 L N 0.762 122.015 121.223 0.050 0.000 2.275 473 L HA -0.114 4.226 4.340 0.000 0.000 0.215 473 L C 2.256 179.231 176.870 0.175 0.000 1.119 473 L CA 0.738 55.646 54.840 0.113 0.000 0.790 473 L CB -0.212 41.919 42.059 0.119 0.000 0.919 473 L HN 0.316 nan 8.230 nan 0.000 0.443 474 I N -0.432 120.204 120.570 0.109 0.000 2.252 474 I HA -0.229 3.941 4.170 0.000 0.000 0.245 474 I C 2.556 178.746 176.117 0.123 0.000 1.102 474 I CA 1.065 62.421 61.300 0.093 0.000 1.385 474 I CB -0.313 37.710 38.000 0.038 0.000 1.064 474 I HN 0.365 nan 8.210 nan 0.000 0.414 475 Q N 1.476 121.332 119.800 0.093 0.000 2.403 475 Q HA -0.087 4.253 4.340 0.000 0.000 0.203 475 Q C 1.340 177.390 176.000 0.084 0.000 0.932 475 Q CA 0.983 56.834 55.803 0.080 0.000 0.945 475 Q CB 0.285 29.055 28.738 0.052 0.000 1.045 475 Q HN 0.589 nan 8.270 nan 0.000 0.511 476 E N -1.073 119.191 120.200 0.107 0.000 2.216 476 E HA -0.070 4.280 4.350 0.000 0.000 0.192 476 E C 1.303 177.976 176.600 0.121 0.000 0.973 476 E CA 0.208 56.666 56.400 0.096 0.000 0.851 476 E CB -0.043 29.712 29.700 0.092 0.000 0.804 476 E HN 0.268 nan 8.360 nan 0.000 0.477 477 Y N 2.499 122.832 120.300 0.056 0.000 2.163 477 Y HA -0.140 4.410 4.550 0.000 0.000 0.288 477 Y C 1.803 177.734 175.900 0.052 0.000 1.136 477 Y CA 1.627 59.758 58.100 0.052 0.000 1.147 477 Y CB 0.245 38.732 38.460 0.044 0.000 0.987 477 Y HN -0.053 nan 8.280 nan 0.000 0.509 478 E N -0.679 119.659 120.200 0.230 0.000 2.274 478 E HA -0.159 4.191 4.350 0.000 0.000 0.194 478 E C 1.063 177.716 176.600 0.088 0.000 0.996 478 E CA 1.067 57.570 56.400 0.172 0.000 0.840 478 E CB -0.008 29.784 29.700 0.154 0.000 0.772 478 E HN 0.528 nan 8.360 nan 0.000 0.491 479 D N -0.213 120.220 120.400 0.056 0.000 2.327 479 D HA 0.078 4.718 4.640 0.000 0.000 0.205 479 D C 1.509 177.800 176.300 -0.015 0.000 0.989 479 D CA 0.535 54.550 54.000 0.025 0.000 0.873 479 D CB 0.338 41.151 40.800 0.022 0.000 0.955 479 D HN 0.129 nan 8.370 nan 0.000 0.515 480 A N 0.035 122.825 122.820 -0.050 0.000 1.887 480 A HA 0.166 4.486 4.320 0.000 0.000 0.210 480 A C 1.839 179.346 177.584 -0.128 0.000 1.221 480 A CA 0.430 52.408 52.037 -0.098 0.000 0.635 480 A CB -0.190 18.736 19.000 -0.124 0.000 0.881 480 A HN 0.153 nan 8.150 nan 0.000 0.456 481 L N -0.518 120.567 121.223 -0.231 0.000 2.766 481 L HA 0.255 4.595 4.340 0.000 0.000 0.242 481 L C -0.647 176.186 176.870 -0.062 0.000 1.136 481 L CA -0.134 54.567 54.840 -0.230 0.000 0.933 481 L CB 0.492 42.219 42.059 -0.554 0.000 1.241 481 L HN 0.142 nan 8.230 nan 0.000 0.522 482 L N 1.945 123.186 121.223 0.029 0.000 2.556 482 L HA 0.324 4.664 4.340 0.000 0.000 0.245 482 L C -0.103 176.825 176.870 0.098 0.000 1.174 482 L CA 0.117 55.035 54.840 0.130 0.000 1.117 482 L CB -0.704 41.486 42.059 0.220 0.000 1.409 482 L HN 0.278 nan 8.230 nan 0.000 0.411 483 N N -1.244 117.500 118.700 0.073 0.000 3.046 483 N HA 0.433 5.173 4.740 0.000 0.000 0.243 483 N C -2.654 172.865 175.510 0.015 0.000 1.452 483 N CA -1.374 51.737 53.050 0.102 0.000 0.882 483 N CB 1.901 40.555 38.487 0.278 0.000 1.425 483 N HN -0.212 nan 8.380 nan 0.000 0.517 484 P HA -0.133 nan 4.420 nan 0.000 0.220 484 P C 0.684 177.860 177.300 -0.206 0.000 1.148 484 P CA 1.323 64.273 63.100 -0.250 0.000 0.803 484 P CB -0.104 31.331 31.700 -0.441 0.000 0.782 485 Y N 0.427 120.696 120.300 -0.051 0.000 2.352 485 Y HA -0.097 4.453 4.550 0.000 0.000 0.292 485 Y C 2.685 178.540 175.900 -0.074 0.000 1.136 485 Y CA 1.535 59.603 58.100 -0.053 0.000 1.227 485 Y CB -1.555 36.879 38.460 -0.044 0.000 0.991 485 Y HN -0.044 nan 8.280 nan 0.000 0.545 486 T N -0.115 114.472 114.554 0.056 0.000 2.674 486 T HA -0.208 4.142 4.350 0.000 0.000 0.265 486 T C 2.248 176.882 174.700 -0.110 0.000 1.039 486 T CA 1.425 63.508 62.100 -0.029 0.000 1.150 486 T CB -0.624 68.224 68.868 -0.034 0.000 0.864 486 T HN 0.436 nan 8.240 nan 0.000 0.427 487 A N 1.133 123.892 122.820 -0.101 0.000 2.070 487 A HA 0.251 4.571 4.320 0.000 0.000 0.220 487 A C 2.515 180.014 177.584 -0.141 0.000 1.159 487 A CA 1.586 53.551 52.037 -0.119 0.000 0.656 487 A CB -0.827 18.164 19.000 -0.015 0.000 0.800 487 A HN 0.504 nan 8.150 nan 0.000 0.453 488 A N 0.123 122.875 122.820 -0.113 0.000 1.872 488 A HA -0.117 4.203 4.320 0.000 0.000 0.214 488 A C 1.869 179.395 177.584 -0.096 0.000 1.187 488 A CA 1.400 53.382 52.037 -0.092 0.000 0.614 488 A CB -0.491 18.462 19.000 -0.079 0.000 0.826 488 A HN 0.591 nan 8.150 nan 0.000 0.442 489 E N -0.286 119.860 120.200 -0.090 0.000 2.160 489 E HA -0.178 4.172 4.350 0.000 0.000 0.195 489 E C 1.380 177.897 176.600 -0.137 0.000 0.991 489 E CA 1.135 57.488 56.400 -0.079 0.000 0.810 489 E CB -0.142 29.522 29.700 -0.061 0.000 0.742 489 E HN 0.533 nan 8.360 nan 0.000 0.466 490 R N -0.225 120.111 120.500 -0.272 0.000 2.552 490 R HA 0.179 4.519 4.340 0.000 0.000 0.314 490 R C 0.551 176.617 176.300 -0.390 0.000 1.041 490 R CA 0.325 56.189 56.100 -0.393 0.000 1.076 490 R CB 0.764 30.658 30.300 -0.677 0.000 1.290 490 R HN 0.116 nan 8.270 nan 0.000 0.563 491 G N 1.208 109.894 108.800 -0.189 0.000 2.356 491 G HA2 -0.305 3.655 3.960 0.000 0.000 0.296 491 G HA3 -0.305 3.655 3.960 0.000 0.000 0.296 491 G C 0.289 175.286 174.900 0.161 0.000 1.022 491 G CA 0.341 45.429 45.100 -0.021 0.000 0.961 491 G HN 0.582 nan 8.290 nan 0.000 0.510 492 Y N -1.409 118.893 120.300 0.004 0.000 2.476 492 Y HA 0.228 4.778 4.550 0.000 0.000 0.283 492 Y C 1.626 177.492 175.900 -0.056 0.000 1.109 492 Y CA 0.367 58.455 58.100 -0.021 0.000 1.246 492 Y CB 0.718 39.236 38.460 0.097 0.000 1.068 492 Y HN 0.487 nan 8.280 nan 0.000 0.552 493 V N -2.385 117.585 119.914 0.094 0.000 2.378 493 V HA 0.250 4.370 4.120 0.000 0.000 0.288 493 V C 0.192 176.274 176.094 -0.020 0.000 1.016 493 V CA -1.184 61.120 62.300 0.006 0.000 0.840 493 V CB 1.495 33.298 31.823 -0.034 0.000 0.994 493 V HN 0.143 nan 8.190 nan 0.000 0.431 494 D N 3.761 124.147 120.400 -0.022 0.000 2.192 494 D HA -0.165 4.475 4.640 0.000 0.000 0.189 494 D C 0.846 177.131 176.300 -0.024 0.000 1.007 494 D CA 2.779 56.771 54.000 -0.014 0.000 0.859 494 D CB 0.302 41.097 40.800 -0.008 0.000 0.936 494 D HN 0.994 nan 8.370 nan 0.000 0.447 495 A N -0.227 122.558 122.820 -0.059 0.000 2.488 495 A HA 0.483 4.803 4.320 0.000 0.000 0.298 495 A C -0.852 176.670 177.584 -0.104 0.000 1.044 495 A CA -0.647 51.350 52.037 -0.068 0.000 0.693 495 A CB 1.982 20.947 19.000 -0.059 0.000 1.272 495 A HN -0.076 nan 8.150 nan 0.000 0.402 496 V N 3.317 123.171 119.914 -0.100 0.000 2.432 496 V HA 0.487 4.607 4.120 0.000 0.000 0.271 496 V C 0.112 176.174 176.094 -0.054 0.000 1.046 496 V CA 0.085 62.318 62.300 -0.112 0.000 0.945 496 V CB 0.266 31.952 31.823 -0.228 0.000 0.992 496 V HN 0.774 nan 8.190 nan 0.000 0.471 497 I N 1.929 122.490 120.570 -0.016 0.000 2.689 497 I HA 0.621 4.791 4.170 0.000 0.000 0.299 497 I C -0.298 175.784 176.117 -0.057 0.000 1.059 497 I CA -0.987 60.304 61.300 -0.014 0.000 1.055 497 I CB 2.128 40.086 38.000 -0.071 0.000 1.243 497 I HN 0.332 nan 8.210 nan 0.000 0.425 498 M N 4.844 124.387 119.600 -0.095 0.000 2.184 498 M HA 0.233 4.713 4.480 0.000 0.000 0.351 498 M C -1.692 174.355 176.300 -0.421 0.000 1.395 498 M CA -1.311 53.862 55.300 -0.212 0.000 1.117 498 M CB 0.755 33.280 32.600 -0.126 0.000 1.708 498 M HN 0.448 nan 8.290 nan 0.000 0.468 499 P HA -0.190 nan 4.420 nan 0.000 0.217 499 P C 1.260 178.150 177.300 -0.683 0.000 1.151 499 P CA 1.602 63.748 63.100 -1.591 0.000 0.849 499 P CB -0.064 30.467 31.700 -1.948 0.000 0.787 500 S N -0.377 115.086 115.700 -0.394 0.000 2.389 500 S HA -0.277 4.193 4.470 0.000 0.000 0.231 500 S C 1.870 176.440 174.600 -0.050 0.000 1.052 500 S CA 1.932 60.035 58.200 -0.162 0.000 1.053 500 S CB -1.590 61.545 63.200 -0.108 0.000 0.886 500 S HN 0.176 nan 8.310 nan 0.000 0.456 501 D N 1.271 121.651 120.400 -0.034 0.000 2.348 501 D HA -0.014 4.626 4.640 0.000 0.000 0.216 501 D C 1.615 178.035 176.300 0.200 0.000 0.970 501 D CA 0.978 55.032 54.000 0.091 0.000 0.889 501 D CB -0.577 40.310 40.800 0.144 0.000 0.912 501 D HN 0.444 nan 8.370 nan 0.000 0.524 502 T N -0.353 114.324 114.554 0.204 0.000 2.720 502 T HA -0.188 4.162 4.350 0.000 0.000 0.268 502 T C 1.874 176.735 174.700 0.267 0.000 1.037 502 T CA 1.066 63.355 62.100 0.314 0.000 1.144 502 T CB -0.146 69.016 68.868 0.489 0.000 0.864 502 T HN 0.235 nan 8.240 nan 0.000 0.444 503 R N 0.870 121.499 120.500 0.216 0.000 2.323 503 R HA 0.133 4.473 4.340 0.000 0.000 0.198 503 R C 2.336 178.713 176.300 0.129 0.000 0.988 503 R CA 0.410 56.617 56.100 0.178 0.000 1.041 503 R CB -0.016 30.381 30.300 0.162 0.000 0.926 503 R HN 0.279 nan 8.270 nan 0.000 0.476 504 R N -0.859 119.711 120.500 0.117 0.000 2.075 504 R HA -0.051 4.289 4.340 0.000 0.000 0.220 504 R C 1.714 178.037 176.300 0.039 0.000 1.118 504 R CA 0.822 56.953 56.100 0.051 0.000 0.986 504 R CB -0.203 30.098 30.300 0.001 0.000 0.884 504 R HN 0.364 nan 8.270 nan 0.000 0.439 505 H N 0.400 119.508 119.070 0.064 0.000 2.352 505 H HA -0.099 4.457 4.556 0.000 0.000 0.299 505 H C 2.135 177.493 175.328 0.050 0.000 1.097 505 H CA 1.946 58.026 56.048 0.054 0.000 1.311 505 H CB 0.091 29.891 29.762 0.062 0.000 1.377 505 H HN 0.258 nan 8.280 nan 0.000 0.504 506 I N 0.066 120.749 120.570 0.187 0.000 2.439 506 I HA -0.184 3.986 4.170 0.000 0.000 0.251 506 I C 2.405 178.581 176.117 0.098 0.000 1.139 506 I CA 0.218 61.593 61.300 0.124 0.000 1.438 506 I CB -0.010 38.065 38.000 0.125 0.000 1.085 506 I HN -0.013 nan 8.210 nan 0.000 0.427 507 V N 1.437 121.407 119.914 0.093 0.000 2.214 507 V HA -0.296 3.824 4.120 0.000 0.000 0.245 507 V C 2.149 178.272 176.094 0.047 0.000 1.047 507 V CA 2.047 64.387 62.300 0.067 0.000 0.998 507 V CB -0.749 31.107 31.823 0.055 0.000 0.633 507 V HN 0.426 nan 8.190 nan 0.000 0.446 508 R N 0.535 121.050 120.500 0.026 0.000 2.319 508 R HA 0.141 4.481 4.340 0.000 0.000 0.204 508 R C 1.983 178.294 176.300 0.019 0.000 0.954 508 R CA 0.613 56.716 56.100 0.005 0.000 1.066 508 R CB -0.461 29.818 30.300 -0.036 0.000 0.991 508 R HN 0.580 nan 8.270 nan 0.000 0.486 509 G N 1.133 109.961 108.800 0.046 0.000 2.447 509 G HA2 -0.110 3.850 3.960 0.000 0.000 0.211 509 G HA3 -0.110 3.850 3.960 0.000 0.000 0.211 509 G C 1.177 176.103 174.900 0.044 0.000 1.184 509 G CA -0.049 45.083 45.100 0.054 0.000 0.813 509 G HN 0.138 nan 8.290 nan 0.000 0.540 510 L N 0.291 121.544 121.223 0.051 0.000 2.599 510 L HA 0.255 4.595 4.340 0.000 0.000 0.230 510 L C 2.731 179.628 176.870 0.045 0.000 1.141 510 L CA -0.096 54.774 54.840 0.050 0.000 0.877 510 L CB -0.012 42.086 42.059 0.063 0.000 1.009 510 L HN 0.104 nan 8.230 nan 0.000 0.447 511 R N -0.507 120.016 120.500 0.038 0.000 2.056 511 R HA -0.094 4.246 4.340 0.000 0.000 0.227 511 R C 2.331 178.646 176.300 0.025 0.000 1.149 511 R CA 1.159 57.277 56.100 0.030 0.000 0.937 511 R CB -0.153 30.161 30.300 0.023 0.000 0.835 511 R HN 0.313 nan 8.270 nan 0.000 0.430 512 Q N 0.608 120.421 119.800 0.023 0.000 1.985 512 Q HA -0.208 4.132 4.340 0.000 0.000 0.207 512 Q C 2.225 178.237 176.000 0.021 0.000 0.996 512 Q CA 1.382 57.196 55.803 0.020 0.000 0.851 512 Q CB -0.531 28.218 28.738 0.019 0.000 0.921 512 Q HN 0.181 nan 8.270 nan 0.000 0.418 513 L N 1.225 122.463 121.223 0.025 0.000 2.054 513 L HA -0.252 4.088 4.340 0.000 0.000 0.220 513 L C 2.421 179.306 176.870 0.025 0.000 1.081 513 L CA 2.182 57.037 54.840 0.025 0.000 0.780 513 L CB -1.137 40.941 42.059 0.031 0.000 0.893 513 L HN 0.402 nan 8.230 nan 0.000 0.438 514 R N -0.554 119.963 120.500 0.028 0.000 2.417 514 R HA -0.099 4.241 4.340 0.000 0.000 0.220 514 R C 0.697 177.010 176.300 0.022 0.000 1.128 514 R CA 1.359 57.476 56.100 0.029 0.000 1.048 514 R CB -1.280 29.038 30.300 0.030 0.000 0.835 514 R HN 0.553 nan 8.270 nan 0.000 0.483 515 T N -2.325 112.239 114.554 0.018 0.000 3.293 515 T HA 0.194 4.544 4.350 0.000 0.000 0.276 515 T C 0.031 174.738 174.700 0.012 0.000 1.003 515 T CA -0.826 61.282 62.100 0.013 0.000 0.916 515 T CB 0.303 69.177 68.868 0.010 0.000 1.134 515 T HN 0.165 nan 8.240 nan 0.000 0.530 516 K N 2.185 122.595 120.400 0.015 0.000 2.484 516 K HA 0.082 4.402 4.320 0.000 0.000 0.280 516 K C -0.010 176.596 176.600 0.011 0.000 1.013 516 K CA -0.207 56.088 56.287 0.014 0.000 1.029 516 K CB 0.404 32.915 32.500 0.017 0.000 0.902 516 K HN 0.324 nan 8.250 nan 0.000 0.481 517 R N 4.465 124.969 120.500 0.007 0.000 2.521 517 R HA 0.167 4.507 4.340 0.000 0.000 0.295 517 R C -1.660 174.640 176.300 0.001 0.000 1.183 517 R CA -0.328 55.775 56.100 0.004 0.000 0.957 517 R CB 1.019 31.320 30.300 0.003 0.000 1.171 517 R HN 0.914 nan 8.270 nan 0.000 0.494 518 E N 2.559 122.759 120.200 0.001 0.000 2.352 518 E HA 0.375 4.725 4.350 0.000 0.000 0.280 518 E C -1.861 174.735 176.600 -0.006 0.000 0.930 518 E CA -0.505 55.894 56.400 -0.003 0.000 0.765 518 E CB 1.999 31.697 29.700 -0.003 0.000 1.219 518 E HN 0.673 nan 8.360 nan 0.000 0.434 519 S N 3.321 119.015 115.700 -0.010 0.000 2.579 519 S HA 0.660 5.130 4.470 0.000 0.000 0.272 519 S C -1.082 173.507 174.600 -0.019 0.000 1.141 519 S CA -0.914 57.278 58.200 -0.013 0.000 0.843 519 S CB 1.051 64.245 63.200 -0.010 0.000 1.122 519 S HN 0.442 nan 8.310 nan 0.000 0.468 520 L N 1.217 122.428 121.223 -0.021 0.000 2.334 520 L HA 0.605 4.945 4.340 0.000 0.000 0.273 520 L C -2.318 174.538 176.870 -0.023 0.000 1.013 520 L CA -2.363 52.459 54.840 -0.029 0.000 0.816 520 L CB 1.192 43.225 42.059 -0.042 0.000 1.278 520 L HN 0.526 nan 8.230 nan 0.000 0.431 521 P HA 0.015 nan 4.420 nan 0.000 0.268 521 P C -2.453 174.836 177.300 -0.019 0.000 1.189 521 P CA -0.565 62.522 63.100 -0.021 0.000 0.771 521 P CB -0.451 31.236 31.700 -0.023 0.000 0.822 522 P HA 0.007 nan 4.420 nan 0.000 0.261 522 P C -0.450 176.834 177.300 -0.025 0.000 1.165 522 P CA 0.762 63.851 63.100 -0.019 0.000 0.759 522 P CB 0.067 31.757 31.700 -0.017 0.000 0.772 523 K N 0.981 121.365 120.400 -0.027 0.000 2.622 523 K HA 0.200 4.520 4.320 0.000 0.000 0.263 523 K C -0.089 176.485 176.600 -0.045 0.000 0.947 523 K CA -0.935 55.322 56.287 -0.050 0.000 0.885 523 K CB 0.848 33.312 32.500 -0.059 0.000 1.362 523 K HN -0.057 nan 8.250 nan 0.000 0.413 524 K N 0.687 121.045 120.400 -0.068 0.000 2.103 524 K HA -0.151 4.169 4.320 0.000 0.000 0.207 524 K C 0.123 176.776 176.600 0.088 0.000 1.048 524 K CA 2.274 58.562 56.287 0.003 0.000 0.930 524 K CB -0.319 32.203 32.500 0.037 0.000 0.716 524 K HN 0.828 nan 8.250 nan 0.000 0.444 525 H N -4.659 114.418 119.070 0.012 0.000 3.003 525 H HA 0.416 4.972 4.556 -0.000 0.000 0.327 525 H C 0.025 175.385 175.328 0.054 0.000 1.353 525 H CA -0.708 55.355 56.048 0.024 0.000 1.142 525 H CB 0.561 30.327 29.762 0.006 0.000 1.864 525 H HN -0.005 nan 8.280 nan 0.000 0.529 526 G N -0.670 108.253 108.800 0.205 0.000 2.481 526 G HA2 0.119 4.079 3.960 0.000 0.000 0.251 526 G HA3 0.119 4.079 3.960 0.000 0.000 0.251 526 G C -0.335 174.695 174.900 0.217 0.000 1.492 526 G CA -0.302 44.936 45.100 0.231 0.000 1.060 526 G HN 0.893 nan 8.290 nan 0.000 0.553 527 N N -1.143 117.636 118.700 0.132 0.000 2.622 527 N HA 0.121 4.861 4.740 0.000 0.000 0.293 527 N C -0.273 175.122 175.510 -0.191 0.000 1.788 527 N CA -0.382 52.687 53.050 0.032 0.000 0.860 527 N CB 0.429 38.954 38.487 0.064 0.000 1.388 527 N HN 0.386 nan 8.380 nan 0.000 0.496 528 I N 1.560 121.795 120.570 -0.558 0.000 2.692 528 I HA 0.211 4.381 4.170 0.000 0.000 0.284 528 I C -2.011 173.870 176.117 -0.393 0.000 1.159 528 I CA -1.203 59.526 61.300 -0.951 0.000 1.423 528 I CB 0.855 38.031 38.000 -1.372 0.000 1.380 528 I HN 0.136 nan 8.210 nan 0.000 0.580 529 P HA 0.185 nan 4.420 nan 0.000 0.265 529 P C -0.829 176.406 177.300 -0.109 0.000 1.193 529 P CA 0.243 63.268 63.100 -0.124 0.000 0.765 529 P CB 0.576 32.237 31.700 -0.065 0.000 0.823 530 L N 0.000 121.176 121.223 -0.078 0.000 2.949 530 L HA 0.000 4.340 4.340 0.000 0.000 0.249 530 L CA 0.000 54.803 54.840 -0.062 0.000 0.813 530 L CB 0.000 42.017 42.059 -0.070 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502