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 3ibb_1_B DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYAVMGSKHL 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 0.000 176.323 176.300 0.039 0.000 2.045 10 D CA 0.000 54.013 54.000 0.022 0.000 0.868 10 D CB 0.000 40.812 40.800 0.020 0.000 0.688 11 I N -0.421 120.197 120.570 0.080 0.000 4.046 11 I HA 0.247 4.417 4.170 0.000 0.000 0.285 11 I C 1.559 177.747 176.117 0.118 0.000 1.183 11 I CA 0.813 62.169 61.300 0.093 0.000 1.337 11 I CB -0.313 37.757 38.000 0.117 0.000 1.478 11 I HN 0.428 nan 8.210 nan 0.000 0.452 12 H N 0.852 119.914 119.070 -0.012 0.000 2.387 12 H HA 0.017 4.573 4.556 0.000 0.000 0.299 12 H C 0.844 176.165 175.328 -0.011 0.000 1.090 12 H CA 1.453 57.494 56.048 -0.011 0.000 1.332 12 H CB -0.880 28.876 29.762 -0.009 0.000 1.386 12 H HN 0.414 nan 8.280 nan 0.000 0.516 13 T N -2.796 111.832 114.554 0.124 0.000 2.882 13 T HA 0.071 4.421 4.350 0.000 0.000 0.287 13 T C 1.550 176.269 174.700 0.032 0.000 1.014 13 T CA -0.094 62.044 62.100 0.064 0.000 1.049 13 T CB 1.424 70.318 68.868 0.043 0.000 1.001 13 T HN 0.101 nan 8.240 nan 0.000 0.525 14 T N 1.743 116.309 114.554 0.021 0.000 2.821 14 T HA 0.003 4.354 4.350 0.000 0.000 0.267 14 T C 2.352 177.055 174.700 0.006 0.000 1.046 14 T CA 1.342 63.448 62.100 0.009 0.000 1.139 14 T CB -0.783 68.090 68.868 0.008 0.000 0.871 14 T HN 0.816 nan 8.240 nan 0.000 0.454 15 A N 1.274 124.098 122.820 0.008 0.000 1.902 15 A HA 0.073 4.393 4.320 0.000 0.000 0.217 15 A C 2.595 180.181 177.584 0.003 0.000 1.181 15 A CA 1.943 53.983 52.037 0.004 0.000 0.623 15 A CB -1.326 17.677 19.000 0.005 0.000 0.818 15 A HN 0.512 nan 8.150 nan 0.000 0.443 16 G N -0.356 108.448 108.800 0.007 0.000 2.418 16 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 16 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 16 G C 1.660 176.557 174.900 -0.004 0.000 1.158 16 G CA 1.057 46.160 45.100 0.005 0.000 0.771 16 G HN 0.592 nan 8.290 nan 0.000 0.545 17 K N 0.011 120.407 120.400 -0.006 0.000 2.097 17 K HA 0.075 4.395 4.320 0.000 0.000 0.206 17 K C 2.466 179.052 176.600 -0.023 0.000 1.049 17 K CA 0.685 56.960 56.287 -0.020 0.000 0.933 17 K CB -0.287 32.201 32.500 -0.019 0.000 0.717 17 K HN 0.270 nan 8.250 nan 0.000 0.442 18 L N 0.578 121.793 121.223 -0.012 0.000 2.046 18 L HA -0.185 4.155 4.340 0.000 0.000 0.208 18 L C 2.642 179.506 176.870 -0.011 0.000 1.077 18 L CA 1.165 56.000 54.840 -0.008 0.000 0.747 18 L CB -0.692 41.366 42.059 -0.002 0.000 0.896 18 L HN 0.211 nan 8.230 nan 0.000 0.432 19 A N 0.104 122.918 122.820 -0.011 0.000 1.933 19 A HA -0.291 4.029 4.320 0.000 0.000 0.218 19 A C 1.957 179.529 177.584 -0.019 0.000 1.175 19 A CA 2.082 54.112 52.037 -0.011 0.000 0.628 19 A CB -0.656 18.340 19.000 -0.008 0.000 0.814 19 A HN 0.476 nan 8.150 nan 0.000 0.444 20 D N -0.592 119.789 120.400 -0.030 0.000 2.144 20 D HA -0.160 4.480 4.640 0.000 0.000 0.199 20 D C 1.726 177.985 176.300 -0.067 0.000 0.984 20 D CA 1.311 55.281 54.000 -0.050 0.000 0.834 20 D CB -0.184 40.579 40.800 -0.062 0.000 0.955 20 D HN 0.284 nan 8.370 nan 0.000 0.465 21 L N 0.587 121.778 121.223 -0.054 0.000 2.046 21 L HA -0.048 4.292 4.340 0.000 0.000 0.208 21 L C 2.181 179.064 176.870 0.022 0.000 1.077 21 L CA 1.594 56.414 54.840 -0.034 0.000 0.747 21 L CB -0.424 41.638 42.059 0.004 0.000 0.896 21 L HN -0.047 nan 8.230 nan 0.000 0.432 22 R N -0.611 119.896 120.500 0.011 0.000 2.081 22 R HA -0.175 4.165 4.340 0.000 0.000 0.235 22 R C 2.444 178.752 176.300 0.013 0.000 1.131 22 R CA 1.595 57.706 56.100 0.018 0.000 0.960 22 R CB -0.600 29.704 30.300 0.007 0.000 0.856 22 R HN 0.440 nan 8.270 nan 0.000 0.436 23 R N 1.423 121.917 120.500 -0.010 0.000 2.075 23 R HA -0.093 4.247 4.340 0.000 0.000 0.232 23 R C 2.035 178.318 176.300 -0.029 0.000 1.126 23 R CA 1.290 57.377 56.100 -0.021 0.000 0.963 23 R CB -0.061 30.221 30.300 -0.030 0.000 0.858 23 R HN 0.173 nan 8.270 nan 0.000 0.435 24 R N 0.425 120.885 120.500 -0.068 0.000 2.081 24 R HA -0.083 4.257 4.340 0.000 0.000 0.235 24 R C 2.416 178.746 176.300 0.050 0.000 1.131 24 R CA 1.526 57.548 56.100 -0.130 0.000 0.960 24 R CB -0.493 29.568 30.300 -0.398 0.000 0.856 24 R HN 0.344 nan 8.270 nan 0.000 0.436 25 I N 0.959 121.607 120.570 0.129 0.000 2.286 25 I HA -0.230 3.940 4.170 0.000 0.000 0.248 25 I C 2.527 178.698 176.117 0.090 0.000 1.115 25 I CA 1.169 62.531 61.300 0.104 0.000 1.392 25 I CB -0.300 37.738 38.000 0.062 0.000 1.065 25 I HN 0.111 nan 8.210 nan 0.000 0.418 26 E N 1.599 121.845 120.200 0.077 0.000 2.085 26 E HA -0.241 4.109 4.350 0.000 0.000 0.194 26 E C 1.930 178.628 176.600 0.163 0.000 0.994 26 E CA 1.674 58.128 56.400 0.090 0.000 0.801 26 E CB -0.041 29.651 29.700 -0.013 0.000 0.743 26 E HN 0.455 nan 8.360 nan 0.000 0.453 27 E N -0.392 119.869 120.200 0.101 0.000 2.047 27 E HA -0.120 4.230 4.350 0.000 0.000 0.191 27 E C 2.045 178.778 176.600 0.221 0.000 0.987 27 E CA 1.027 57.513 56.400 0.142 0.000 0.799 27 E CB -0.241 29.530 29.700 0.118 0.000 0.752 27 E HN 0.368 nan 8.360 nan 0.000 0.449 28 A N 1.108 124.038 122.820 0.184 0.000 1.930 28 A HA -0.180 4.140 4.320 0.000 0.000 0.217 28 A C 2.426 180.077 177.584 0.112 0.000 1.175 28 A CA 2.020 54.173 52.037 0.193 0.000 0.627 28 A CB -1.063 18.018 19.000 0.134 0.000 0.815 28 A HN 0.414 nan 8.150 nan 0.000 0.443 29 T N -2.972 111.628 114.554 0.076 0.000 2.915 29 T HA -0.150 4.200 4.350 0.000 0.000 0.269 29 T C 1.036 175.650 174.700 -0.143 0.000 1.071 29 T CA 1.660 63.736 62.100 -0.039 0.000 1.132 29 T CB -0.583 68.233 68.868 -0.086 0.000 0.878 29 T HN 0.608 nan 8.240 nan 0.000 0.479 30 H N 0.622 119.710 119.070 0.030 0.000 2.640 30 H HA 0.723 5.279 4.556 0.000 0.000 0.312 30 H C 1.846 177.184 175.328 0.018 0.000 1.110 30 H CA 0.051 56.111 56.048 0.020 0.000 1.098 30 H CB -0.220 29.555 29.762 0.021 0.000 1.485 30 H HN 0.475 nan 8.280 nan 0.000 0.526 31 A N 0.476 123.346 122.820 0.084 0.000 1.902 31 A HA 0.001 4.321 4.320 0.000 0.000 0.217 31 A C 1.914 179.484 177.584 -0.024 0.000 1.181 31 A CA 1.036 53.100 52.037 0.044 0.000 0.623 31 A CB -0.718 18.299 19.000 0.028 0.000 0.818 31 A HN 0.516 nan 8.150 nan 0.000 0.443 32 G N -1.006 107.766 108.800 -0.046 0.000 2.684 32 G HA2 0.374 4.334 3.960 0.000 0.000 0.255 32 G HA3 0.374 4.334 3.960 0.000 0.000 0.255 32 G C 0.271 175.147 174.900 -0.040 0.000 1.219 32 G CA 0.411 45.463 45.100 -0.080 0.000 0.901 32 G HN 0.343 nan 8.290 nan 0.000 0.548 33 S N -1.088 114.580 115.700 -0.054 0.000 2.584 33 S HA 0.352 4.822 4.470 0.000 0.000 0.270 33 S C 1.798 176.390 174.600 -0.012 0.000 1.346 33 S CA 0.169 58.354 58.200 -0.025 0.000 1.018 33 S CB 0.812 63.992 63.200 -0.033 0.000 0.899 33 S HN 1.022 nan 8.310 nan 0.000 0.542 34 A N 3.492 126.317 122.820 0.008 0.000 1.978 34 A HA -0.123 4.197 4.320 0.000 0.000 0.220 34 A C 2.131 179.718 177.584 0.004 0.000 1.170 34 A CA 1.758 53.805 52.037 0.018 0.000 0.636 34 A CB -0.559 18.459 19.000 0.030 0.000 0.810 34 A HN 0.903 nan 8.150 nan 0.000 0.448 35 R N -0.413 120.085 120.500 -0.004 0.000 2.096 35 R HA -0.080 4.260 4.340 0.000 0.000 0.235 35 R C 2.261 178.547 176.300 -0.023 0.000 1.127 35 R CA 1.311 57.406 56.100 -0.009 0.000 0.968 35 R CB -0.382 29.911 30.300 -0.011 0.000 0.861 35 R HN 0.446 nan 8.270 nan 0.000 0.440 36 A N 0.307 123.099 122.820 -0.047 0.000 1.877 36 A HA -0.117 4.203 4.320 0.000 0.000 0.216 36 A C 2.228 179.782 177.584 -0.049 0.000 1.186 36 A CA 1.712 53.706 52.037 -0.072 0.000 0.620 36 A CB -0.561 18.370 19.000 -0.115 0.000 0.822 36 A HN 0.219 nan 8.150 nan 0.000 0.443 37 V N -0.266 119.615 119.914 -0.054 0.000 2.307 37 V HA -0.255 3.865 4.120 0.000 0.000 0.245 37 V C 2.476 178.531 176.094 -0.066 0.000 1.045 37 V CA 2.311 64.554 62.300 -0.095 0.000 1.024 37 V CB -0.829 30.931 31.823 -0.105 0.000 0.651 37 V HN 0.722 nan 8.190 nan 0.000 0.449 38 E N 0.292 120.496 120.200 0.007 0.000 2.051 38 E HA -0.281 4.069 4.350 0.000 0.000 0.192 38 E C 2.284 178.929 176.600 0.075 0.000 0.991 38 E CA 1.645 58.086 56.400 0.069 0.000 0.799 38 E CB -0.113 29.619 29.700 0.054 0.000 0.748 38 E HN 0.537 nan 8.360 nan 0.000 0.449 39 K N 0.138 120.565 120.400 0.044 0.000 2.097 39 K HA -0.246 4.074 4.320 0.000 0.000 0.206 39 K C 2.246 178.897 176.600 0.085 0.000 1.049 39 K CA 1.571 57.892 56.287 0.057 0.000 0.933 39 K CB -0.010 32.514 32.500 0.040 0.000 0.717 39 K HN -0.014 nan 8.250 nan 0.000 0.442 40 Q N -0.147 119.706 119.800 0.087 0.000 2.084 40 Q HA -0.189 4.151 4.340 0.000 0.000 0.202 40 Q C 1.683 177.758 176.000 0.125 0.000 0.978 40 Q CA 1.940 57.810 55.803 0.111 0.000 0.844 40 Q CB -0.146 28.645 28.738 0.089 0.000 0.898 40 Q HN 0.555 nan 8.270 nan 0.000 0.426 41 H N -1.512 117.580 119.070 0.037 0.000 2.357 41 H HA -0.045 4.511 4.556 0.000 0.000 0.301 41 H C 1.748 177.084 175.328 0.013 0.000 1.082 41 H CA 0.659 56.719 56.048 0.020 0.000 1.342 41 H CB 0.123 29.895 29.762 0.017 0.000 1.389 41 H HN 0.436 nan 8.280 nan 0.000 0.511 42 A N 0.915 123.822 122.820 0.145 0.000 2.019 42 A HA -0.185 4.135 4.320 0.000 0.000 0.219 42 A C 2.108 179.723 177.584 0.051 0.000 1.164 42 A CA 1.360 53.437 52.037 0.065 0.000 0.644 42 A CB -0.376 18.655 19.000 0.053 0.000 0.805 42 A HN 0.322 nan 8.150 nan 0.000 0.449 43 K N -1.423 119.016 120.400 0.065 0.000 2.281 43 K HA -0.069 4.251 4.320 0.000 0.000 0.203 43 K C 1.035 177.649 176.600 0.024 0.000 1.046 43 K CA 0.985 57.294 56.287 0.036 0.000 0.938 43 K CB -0.269 32.249 32.500 0.030 0.000 0.737 43 K HN 0.772 nan 8.250 nan 0.000 0.458 44 G N 0.241 109.061 108.800 0.032 0.000 2.143 44 G HA2 -0.179 3.781 3.960 0.000 0.000 0.175 44 G HA3 -0.179 3.781 3.960 0.000 0.000 0.175 44 G C -0.694 174.218 174.900 0.020 0.000 1.004 44 G CA 0.056 45.166 45.100 0.016 0.000 0.671 44 G HN 0.335 nan 8.290 nan 0.000 0.512 45 K N -0.976 119.453 120.400 0.049 0.000 2.578 45 K HA 0.800 5.120 4.320 0.000 0.000 0.287 45 K C -1.005 175.663 176.600 0.112 0.000 1.010 45 K CA -1.047 55.268 56.287 0.047 0.000 0.889 45 K CB 1.659 34.161 32.500 0.003 0.000 1.514 45 K HN 0.096 nan 8.250 nan 0.000 0.424 46 L N 0.296 121.564 121.223 0.075 0.000 2.354 46 L HA 0.484 4.824 4.340 0.000 0.000 0.264 46 L C 0.154 177.041 176.870 0.028 0.000 1.008 46 L CA -0.953 53.950 54.840 0.105 0.000 0.819 46 L CB 2.107 44.216 42.059 0.083 0.000 1.339 46 L HN 0.684 nan 8.230 nan 0.000 0.420 47 T N 0.181 114.732 114.554 -0.005 0.000 2.813 47 T HA 0.275 4.625 4.350 0.000 0.000 0.297 47 T C 1.209 175.890 174.700 -0.032 0.000 1.036 47 T CA 0.402 62.475 62.100 -0.046 0.000 1.044 47 T CB 1.295 70.098 68.868 -0.108 0.000 0.993 47 T HN 0.712 nan 8.240 nan 0.000 0.535 48 A N 3.037 125.841 122.820 -0.026 0.000 1.933 48 A HA -0.052 4.268 4.320 0.000 0.000 0.218 48 A C 2.388 179.935 177.584 -0.062 0.000 1.175 48 A CA 1.791 53.807 52.037 -0.035 0.000 0.628 48 A CB -0.590 18.408 19.000 -0.004 0.000 0.814 48 A HN 0.881 nan 8.150 nan 0.000 0.444 49 R N -0.047 120.421 120.500 -0.052 0.000 2.081 49 R HA -0.118 4.222 4.340 0.000 0.000 0.235 49 R C 2.131 178.383 176.300 -0.080 0.000 1.131 49 R CA 1.852 57.917 56.100 -0.059 0.000 0.960 49 R CB -0.283 29.990 30.300 -0.046 0.000 0.856 49 R HN 0.741 nan 8.270 nan 0.000 0.436 50 E N -0.391 119.776 120.200 -0.054 0.000 2.051 50 E HA -0.184 4.166 4.350 0.000 0.000 0.192 50 E C 2.099 178.662 176.600 -0.061 0.000 0.991 50 E CA 0.987 57.364 56.400 -0.038 0.000 0.799 50 E CB -0.078 29.628 29.700 0.010 0.000 0.748 50 E HN 0.287 nan 8.360 nan 0.000 0.449 51 R N 0.573 121.032 120.500 -0.068 0.000 2.081 51 R HA -0.094 4.246 4.340 0.000 0.000 0.235 51 R C 2.452 178.676 176.300 -0.127 0.000 1.131 51 R CA 1.011 57.063 56.100 -0.080 0.000 0.960 51 R CB -0.316 29.935 30.300 -0.081 0.000 0.856 51 R HN 0.242 nan 8.270 nan 0.000 0.436 52 I N 0.866 121.329 120.570 -0.178 0.000 2.226 52 I HA -0.254 3.916 4.170 0.000 0.000 0.245 52 I C 2.122 178.067 176.117 -0.286 0.000 1.100 52 I CA 1.272 62.391 61.300 -0.301 0.000 1.374 52 I CB -0.507 37.205 38.000 -0.480 0.000 1.057 52 I HN 0.154 nan 8.210 nan 0.000 0.413 53 D N 1.192 121.472 120.400 -0.200 0.000 2.117 53 D HA -0.147 4.493 4.640 0.000 0.000 0.197 53 D C 2.358 178.589 176.300 -0.115 0.000 0.987 53 D CA 1.212 55.126 54.000 -0.144 0.000 0.829 53 D CB -0.011 40.742 40.800 -0.078 0.000 0.961 53 D HN 0.248 nan 8.370 nan 0.000 0.460 54 L N -0.119 121.044 121.223 -0.099 0.000 2.017 54 L HA -0.160 4.180 4.340 0.000 0.000 0.208 54 L C 2.604 179.427 176.870 -0.079 0.000 1.073 54 L CA 0.614 55.411 54.840 -0.072 0.000 0.745 54 L CB -0.455 41.571 42.059 -0.055 0.000 0.894 54 L HN 0.117 nan 8.230 nan 0.000 0.432 55 L N -0.421 120.742 121.223 -0.101 0.000 2.093 55 L HA -0.026 4.314 4.340 0.000 0.000 0.208 55 L C 0.804 177.617 176.870 -0.094 0.000 1.085 55 L CA 1.425 56.208 54.840 -0.095 0.000 0.755 55 L CB 0.025 42.021 42.059 -0.106 0.000 0.904 55 L HN 0.027 nan 8.230 nan 0.000 0.435 56 L N 0.608 121.758 121.223 -0.121 0.000 2.295 56 L HA 0.289 4.629 4.340 0.000 0.000 0.285 56 L C -0.508 176.325 176.870 -0.062 0.000 1.035 56 L CA -1.055 53.728 54.840 -0.094 0.000 0.806 56 L CB 1.098 43.070 42.059 -0.145 0.000 1.214 56 L HN 0.002 nan 8.230 nan 0.000 0.426 57 D N 1.953 122.336 120.400 -0.029 0.000 2.423 57 D HA 0.019 4.659 4.640 0.000 0.000 0.238 57 D C 0.142 176.438 176.300 -0.006 0.000 1.142 57 D CA -0.054 53.936 54.000 -0.017 0.000 0.884 57 D CB 0.806 41.603 40.800 -0.005 0.000 1.199 57 D HN 0.374 nan 8.370 nan 0.000 0.438 58 E N -0.017 120.179 120.200 -0.007 0.000 2.414 58 E HA 0.284 4.634 4.350 0.000 0.000 0.263 58 E C 1.153 177.761 176.600 0.012 0.000 1.000 58 E CA 0.696 57.096 56.400 -0.001 0.000 0.914 58 E CB 0.220 29.918 29.700 -0.004 0.000 0.948 58 E HN 0.588 nan 8.360 nan 0.000 0.444 59 G N 3.046 111.860 108.800 0.022 0.000 2.205 59 G HA2 -0.366 3.594 3.960 0.000 0.000 0.261 59 G HA3 -0.366 3.594 3.960 0.000 0.000 0.261 59 G C 1.072 175.994 174.900 0.037 0.000 0.980 59 G CA 1.078 46.194 45.100 0.026 0.000 0.632 59 G HN 0.912 nan 8.290 nan 0.000 0.533 60 S N -0.780 114.951 115.700 0.053 0.000 2.453 60 S HA 0.340 4.810 4.470 0.000 0.000 0.231 60 S C 1.030 175.673 174.600 0.072 0.000 1.005 60 S CA 0.671 58.907 58.200 0.061 0.000 0.949 60 S CB 0.057 63.297 63.200 0.067 0.000 0.774 60 S HN 1.002 nan 8.310 nan 0.000 0.510 61 F N 3.129 123.005 119.950 -0.123 0.000 2.459 61 F HA 0.546 5.073 4.527 0.000 0.000 0.346 61 F C -0.390 175.227 175.800 -0.305 0.000 1.128 61 F CA -1.822 56.062 58.000 -0.194 0.000 1.268 61 F CB 0.932 39.844 39.000 -0.146 0.000 1.161 61 F HN -0.089 nan 8.300 nan 0.000 0.583 62 V N 5.605 125.019 119.914 -0.832 0.000 2.531 62 V HA 0.258 4.378 4.120 0.000 0.000 0.301 62 V C -0.072 175.211 176.094 -1.351 0.000 1.034 62 V CA -1.078 60.580 62.300 -1.070 0.000 0.865 62 V CB 1.503 32.529 31.823 -1.330 0.000 0.995 62 V HN 0.620 nan 8.190 nan 0.000 0.424 63 E N 3.269 122.823 120.200 -1.076 0.000 2.404 63 E HA 0.490 4.840 4.350 0.000 0.000 0.261 63 E C -0.992 175.342 176.600 -0.443 0.000 1.074 63 E CA 0.027 55.967 56.400 -0.767 0.000 0.917 63 E CB 1.314 30.682 29.700 -0.553 0.000 0.965 63 E HN 0.480 nan 8.360 nan 0.000 0.433 64 L N 1.595 122.652 121.223 -0.277 0.000 2.409 64 L HA 0.225 4.565 4.340 0.000 0.000 0.262 64 L C -0.145 176.654 176.870 -0.119 0.000 0.992 64 L CA -0.734 54.005 54.840 -0.167 0.000 0.817 64 L CB 1.760 43.749 42.059 -0.116 0.000 1.350 64 L HN 0.448 nan 8.230 nan 0.000 0.411 65 D N 0.752 121.104 120.400 -0.080 0.000 2.837 65 D HA -0.203 4.437 4.640 0.000 0.000 0.230 65 D C 1.106 177.381 176.300 -0.042 0.000 1.152 65 D CA 1.200 55.186 54.000 -0.023 0.000 0.736 65 D CB -0.411 40.382 40.800 -0.012 0.000 1.084 65 D HN 0.718 nan 8.370 nan 0.000 0.429 66 E N -1.265 118.839 120.200 -0.160 0.000 2.110 66 E HA -0.166 4.184 4.350 0.000 0.000 0.193 66 E C 1.469 177.973 176.600 -0.160 0.000 0.988 66 E CA 0.865 57.104 56.400 -0.268 0.000 0.804 66 E CB 0.010 29.377 29.700 -0.555 0.000 0.745 66 E HN 0.295 nan 8.360 nan 0.000 0.458 67 F N 0.117 120.108 119.950 0.068 0.000 2.765 67 F HA 0.277 4.804 4.527 0.000 0.000 0.302 67 F C 0.800 176.779 175.800 0.299 0.000 1.111 67 F CA -0.209 57.901 58.000 0.183 0.000 1.359 67 F CB -0.172 38.874 39.000 0.077 0.000 1.097 67 F HN -0.148 nan 8.300 nan 0.000 0.577 68 A N 1.573 124.577 122.820 0.306 0.000 2.477 68 A HA 0.539 4.859 4.320 0.000 0.000 0.246 68 A C 0.416 178.101 177.584 0.168 0.000 1.078 68 A CA -0.047 52.106 52.037 0.192 0.000 0.770 68 A CB 0.140 19.207 19.000 0.112 0.000 1.011 68 A HN 0.370 nan 8.150 nan 0.000 0.494 69 R N 1.466 122.022 120.500 0.093 0.000 2.740 69 R HA 0.342 4.682 4.340 0.000 0.000 0.273 69 R C -0.716 175.591 176.300 0.012 0.000 0.998 69 R CA -0.911 55.209 56.100 0.033 0.000 0.900 69 R CB 1.316 31.520 30.300 -0.160 0.000 1.223 69 R HN 0.992 nan 8.270 nan 0.000 0.466 70 H N 1.617 120.707 119.070 0.033 0.000 2.815 70 H HA 0.129 4.685 4.556 0.000 0.000 0.350 70 H C -0.684 174.646 175.328 0.002 0.000 1.080 70 H CA -0.320 55.743 56.048 0.025 0.000 1.433 70 H CB 0.986 30.760 29.762 0.021 0.000 1.432 70 H HN 0.546 nan 8.280 nan 0.000 0.592 71 R N 3.218 123.715 120.500 -0.006 0.000 2.229 71 R HA 0.538 4.878 4.340 0.000 0.000 0.332 71 R C -1.192 175.153 176.300 0.074 0.000 0.989 71 R CA -0.835 55.234 56.100 -0.052 0.000 0.842 71 R CB 1.018 31.305 30.300 -0.022 0.000 1.119 71 R HN 0.463 nan 8.270 nan 0.000 0.456 72 S N 0.794 116.559 115.700 0.109 0.000 2.595 72 S HA 0.429 4.899 4.470 0.000 0.000 0.281 72 S C 0.295 174.948 174.600 0.088 0.000 1.117 72 S CA -0.572 57.735 58.200 0.178 0.000 0.873 72 S CB 2.146 65.570 63.200 0.373 0.000 1.108 72 S HN 0.700 nan 8.310 nan 0.000 0.477 73 T N -0.216 114.375 114.554 0.063 0.000 2.964 73 T HA 0.242 4.592 4.350 0.000 0.000 0.249 73 T C 0.357 175.077 174.700 0.033 0.000 1.000 73 T CA -0.181 61.940 62.100 0.034 0.000 0.992 73 T CB -0.325 68.542 68.868 -0.002 0.000 1.087 73 T HN 0.409 nan 8.240 nan 0.000 0.489 74 N N 1.700 120.444 118.700 0.072 0.000 2.458 74 N HA 0.360 5.100 4.740 0.000 0.000 0.258 74 N C -0.373 175.244 175.510 0.178 0.000 1.219 74 N CA -0.232 52.888 53.050 0.116 0.000 0.902 74 N CB -0.471 38.216 38.487 0.333 0.000 1.076 74 N HN 0.240 nan 8.380 nan 0.000 0.455 75 F N 0.300 120.245 119.950 -0.009 0.000 3.100 75 F HA -0.242 4.285 4.527 0.000 0.000 0.283 75 F C 1.478 177.277 175.800 -0.001 0.000 0.900 75 F CA 0.905 58.900 58.000 -0.009 0.000 1.010 75 F CB -1.795 37.192 39.000 -0.021 0.000 1.029 75 F HN 0.742 nan 8.300 nan 0.000 0.637 76 G N -0.992 107.872 108.800 0.107 0.000 2.176 76 G HA2 -0.323 3.637 3.960 0.000 0.000 0.232 76 G HA3 -0.323 3.637 3.960 0.000 0.000 0.232 76 G C 0.835 175.799 174.900 0.106 0.000 0.986 76 G CA 0.087 45.238 45.100 0.085 0.000 0.643 76 G HN 0.533 nan 8.290 nan 0.000 0.522 77 L N 1.071 122.364 121.223 0.117 0.000 2.131 77 L HA -0.047 4.293 4.340 0.000 0.000 0.210 77 L C 2.572 179.573 176.870 0.217 0.000 1.092 77 L CA 2.732 57.627 54.840 0.091 0.000 0.759 77 L CB -0.267 41.790 42.059 -0.003 0.000 0.903 77 L HN 0.489 nan 8.230 nan 0.000 0.435 78 D N -0.423 120.121 120.400 0.240 0.000 2.348 78 D HA -0.123 4.517 4.640 0.000 0.000 0.216 78 D C 1.948 178.362 176.300 0.191 0.000 0.970 78 D CA 0.875 55.042 54.000 0.279 0.000 0.889 78 D CB -0.198 40.658 40.800 0.093 0.000 0.912 78 D HN 0.277 nan 8.370 nan 0.000 0.524 79 A N 0.249 123.163 122.820 0.158 0.000 1.940 79 A HA -0.142 4.178 4.320 0.000 0.000 0.219 79 A C 0.679 178.330 177.584 0.111 0.000 1.176 79 A CA 0.974 53.071 52.037 0.101 0.000 0.631 79 A CB -0.374 18.678 19.000 0.087 0.000 0.814 79 A HN 0.228 nan 8.150 nan 0.000 0.446 80 N N -0.608 118.205 118.700 0.188 0.000 2.354 80 N HA 0.477 5.217 4.740 0.000 0.000 0.287 80 N C -0.799 174.920 175.510 0.349 0.000 1.016 80 N CA -0.326 52.830 53.050 0.177 0.000 0.871 80 N CB 1.446 40.000 38.487 0.113 0.000 1.299 80 N HN 0.209 nan 8.380 nan 0.000 0.482 81 R N 1.459 122.057 120.500 0.164 0.000 2.748 81 R HA 0.273 4.613 4.340 0.000 0.000 0.283 81 R C -2.464 173.816 176.300 -0.033 0.000 1.507 81 R CA -1.269 54.901 56.100 0.117 0.000 1.666 81 R CB 1.153 31.322 30.300 -0.218 0.000 1.237 81 R HN 0.434 nan 8.270 nan 0.000 0.633 82 P HA -0.029 nan 4.420 nan 0.000 0.271 82 P C -0.653 176.660 177.300 0.023 0.000 1.216 82 P CA 0.002 63.102 63.100 -0.000 0.000 0.771 82 P CB 0.560 32.247 31.700 -0.022 0.000 0.864 83 Y N 1.042 121.417 120.300 0.125 0.000 2.511 83 Y HA 0.299 4.849 4.550 0.000 0.000 0.332 83 Y C 2.089 178.060 175.900 0.117 0.000 1.177 83 Y CA 1.724 59.915 58.100 0.152 0.000 1.422 83 Y CB 0.070 38.658 38.460 0.213 0.000 1.271 83 Y HN 0.799 nan 8.280 nan 0.000 0.550 84 G N 1.966 110.919 108.800 0.255 0.000 2.176 84 G HA2 -0.374 3.586 3.960 0.000 0.000 0.253 84 G HA3 -0.374 3.586 3.960 0.000 0.000 0.253 84 G C 0.447 175.417 174.900 0.117 0.000 0.979 84 G CA 0.359 45.543 45.100 0.139 0.000 0.641 84 G HN 0.836 nan 8.290 nan 0.000 0.530 85 D N -1.769 118.734 120.400 0.172 0.000 3.012 85 D HA 0.031 4.671 4.640 0.000 0.000 0.222 85 D C 1.783 178.242 176.300 0.264 0.000 1.167 85 D CA 2.954 57.095 54.000 0.235 0.000 0.854 85 D CB -1.268 39.641 40.800 0.181 0.000 1.107 85 D HN 2.127 nan 8.370 nan 0.000 0.421 86 G N -1.116 107.796 108.800 0.187 0.000 2.341 86 G HA2 -0.109 3.851 3.960 0.000 0.000 0.292 86 G HA3 -0.109 3.851 3.960 0.000 0.000 0.292 86 G C 0.341 175.340 174.900 0.164 0.000 1.021 86 G CA 1.093 46.306 45.100 0.187 0.000 0.905 86 G HN 1.390 nan 8.290 nan 0.000 0.508 87 V N -1.568 118.337 119.914 -0.014 0.000 2.914 87 V HA 0.843 4.963 4.120 0.000 0.000 0.314 87 V C -0.160 175.925 176.094 -0.015 0.000 1.084 87 V CA -0.740 61.494 62.300 -0.110 0.000 0.963 87 V CB 2.577 34.126 31.823 -0.458 0.000 1.025 87 V HN 0.630 nan 8.190 nan 0.000 0.432 88 V N 4.580 124.515 119.914 0.034 0.000 2.398 88 V HA 0.678 4.798 4.120 0.000 0.000 0.286 88 V C 0.214 176.386 176.094 0.130 0.000 1.026 88 V CA 0.125 62.470 62.300 0.075 0.000 0.868 88 V CB 1.440 33.321 31.823 0.097 0.000 0.982 88 V HN 1.115 nan 8.190 nan 0.000 0.443 89 T N 1.157 115.785 114.554 0.122 0.000 2.840 89 T HA 0.866 5.216 4.350 0.000 0.000 0.287 89 T C -0.141 174.653 174.700 0.156 0.000 0.991 89 T CA -0.340 61.853 62.100 0.155 0.000 0.964 89 T CB 1.592 70.499 68.868 0.064 0.000 0.954 89 T HN 1.146 nan 8.240 nan 0.000 0.438 90 G N 1.903 110.876 108.800 0.288 0.000 2.646 90 G HA2 0.578 4.538 3.960 0.000 0.000 0.291 90 G HA3 0.578 4.538 3.960 0.000 0.000 0.291 90 G C -1.725 173.357 174.900 0.303 0.000 1.445 90 G CA -1.152 44.097 45.100 0.248 0.000 0.814 90 G HN 0.950 nan 8.290 nan 0.000 0.495 91 Y N -0.472 119.874 120.300 0.078 0.000 2.331 91 Y HA 0.791 5.341 4.550 0.000 0.000 0.338 91 Y C 0.320 176.347 175.900 0.212 0.000 0.976 91 Y CA -1.164 57.000 58.100 0.107 0.000 1.137 91 Y CB 1.761 40.205 38.460 -0.027 0.000 1.172 91 Y HN 0.712 nan 8.280 nan 0.000 0.478 92 G N 1.204 110.163 108.800 0.266 0.000 2.574 92 G HA2 0.480 4.440 3.960 0.000 0.000 0.299 92 G HA3 0.480 4.440 3.960 0.000 0.000 0.299 92 G C -1.519 173.471 174.900 0.151 0.000 1.298 92 G CA -1.169 44.037 45.100 0.177 0.000 0.952 92 G HN 0.695 nan 8.290 nan 0.000 0.477 93 T N 0.048 114.668 114.554 0.109 0.000 2.758 93 T HA 0.460 4.810 4.350 0.000 0.000 0.285 93 T C -0.347 174.369 174.700 0.027 0.000 0.981 93 T CA -0.324 61.823 62.100 0.080 0.000 0.965 93 T CB 0.845 69.763 68.868 0.083 0.000 0.927 93 T HN 0.312 nan 8.240 nan 0.000 0.448 94 V N 6.331 126.248 119.914 0.006 0.000 2.385 94 V HA 0.240 4.360 4.120 0.000 0.000 0.269 94 V C 0.194 176.268 176.094 -0.034 0.000 1.043 94 V CA -0.240 62.042 62.300 -0.030 0.000 0.906 94 V CB 0.797 32.587 31.823 -0.056 0.000 0.995 94 V HN 1.087 nan 8.190 nan 0.000 0.467 95 D N 4.397 124.778 120.400 -0.032 0.000 2.837 95 D HA -0.193 4.447 4.640 0.000 0.000 0.230 95 D C 1.274 177.573 176.300 -0.001 0.000 1.152 95 D CA 1.695 55.680 54.000 -0.025 0.000 0.736 95 D CB -1.287 39.480 40.800 -0.055 0.000 1.084 95 D HN 1.321 nan 8.370 nan 0.000 0.429 96 G N -0.601 108.205 108.800 0.010 0.000 2.153 96 G HA2 -0.366 3.594 3.960 0.000 0.000 0.252 96 G HA3 -0.366 3.594 3.960 0.000 0.000 0.252 96 G C 0.099 175.015 174.900 0.025 0.000 0.994 96 G CA 0.437 45.551 45.100 0.024 0.000 0.698 96 G HN 0.571 nan 8.290 nan 0.000 0.521 97 R N 0.164 120.673 120.500 0.014 0.000 2.562 97 R HA 0.509 4.849 4.340 0.000 0.000 0.298 97 R C -2.845 173.475 176.300 0.033 0.000 0.961 97 R CA -2.188 53.919 56.100 0.013 0.000 0.881 97 R CB 2.229 32.518 30.300 -0.019 0.000 1.159 97 R HN 0.131 nan 8.270 nan 0.000 0.450 98 P HA 0.086 nan 4.420 nan 0.000 0.267 98 P C -0.503 176.857 177.300 0.100 0.000 1.205 98 P CA -0.092 63.062 63.100 0.092 0.000 0.765 98 P CB 0.988 32.726 31.700 0.063 0.000 0.828 99 V N 2.534 122.545 119.914 0.161 0.000 2.876 99 V HA 0.720 4.840 4.120 0.000 0.000 0.312 99 V C -0.178 176.072 176.094 0.260 0.000 1.085 99 V CA -0.894 61.499 62.300 0.156 0.000 0.945 99 V CB 2.232 34.112 31.823 0.096 0.000 1.017 99 V HN 0.736 nan 8.190 nan 0.000 0.428 100 A N 2.812 125.785 122.820 0.255 0.000 2.343 100 A HA 0.898 5.218 4.320 0.000 0.000 0.316 100 A C -1.204 176.537 177.584 0.263 0.000 1.104 100 A CA -0.607 51.625 52.037 0.325 0.000 0.768 100 A CB 1.835 21.084 19.000 0.416 0.000 1.213 100 A HN 0.897 nan 8.150 nan 0.000 0.456 101 V N 3.331 123.398 119.914 0.255 0.000 2.914 101 V HA 0.916 5.036 4.120 0.000 0.000 0.314 101 V C -1.673 174.625 176.094 0.341 0.000 1.084 101 V CA -0.752 61.677 62.300 0.214 0.000 0.963 101 V CB 1.901 33.750 31.823 0.044 0.000 1.025 101 V HN 1.178 nan 8.190 nan 0.000 0.432 102 F N 2.599 122.566 119.950 0.028 0.000 2.601 102 F HA 0.844 5.371 4.527 0.000 0.000 0.309 102 F C -0.596 175.201 175.800 -0.004 0.000 1.089 102 F CA -1.249 56.756 58.000 0.007 0.000 0.940 102 F CB 1.642 40.641 39.000 -0.002 0.000 1.273 102 F HN 0.354 nan 8.300 nan 0.000 0.450 103 S N 1.732 117.397 115.700 -0.058 0.000 2.478 103 S HA 0.374 4.844 4.470 0.000 0.000 0.312 103 S C -0.838 173.777 174.600 0.026 0.000 1.094 103 S CA -0.570 57.556 58.200 -0.123 0.000 1.081 103 S CB 0.843 63.986 63.200 -0.094 0.000 1.007 103 S HN 0.735 nan 8.310 nan 0.000 0.475 104 Q N 2.455 122.294 119.800 0.065 0.000 2.330 104 Q HA 0.114 4.454 4.340 0.000 0.000 0.279 104 Q C -0.681 175.421 176.000 0.170 0.000 1.024 104 Q CA 0.175 56.108 55.803 0.218 0.000 0.900 104 Q CB 0.518 29.430 28.738 0.289 0.000 1.221 104 Q HN 0.513 nan 8.270 nan 0.000 0.396 105 D N 1.761 122.290 120.400 0.215 0.000 2.349 105 D HA 0.056 4.696 4.640 0.000 0.000 0.232 105 D C -0.227 176.214 176.300 0.236 0.000 1.071 105 D CA -0.406 53.696 54.000 0.170 0.000 0.832 105 D CB 0.691 41.557 40.800 0.109 0.000 1.086 105 D HN 0.414 nan 8.370 nan 0.000 0.504 106 F N 2.756 122.731 119.950 0.042 0.000 2.186 106 F HA -0.184 4.343 4.527 0.000 0.000 0.299 106 F C 2.458 178.261 175.800 0.005 0.000 1.090 106 F CA 1.931 59.947 58.000 0.027 0.000 1.307 106 F CB -0.521 38.480 39.000 0.002 0.000 1.019 106 F HN 0.476 nan 8.300 nan 0.000 0.489 107 T N -1.802 112.723 114.554 -0.048 0.000 2.803 107 T HA -0.102 4.248 4.350 0.000 0.000 0.269 107 T C 0.897 175.447 174.700 -0.251 0.000 1.052 107 T CA 1.044 63.034 62.100 -0.183 0.000 1.136 107 T CB -1.256 67.551 68.868 -0.102 0.000 0.864 107 T HN -0.080 nan 8.240 nan 0.000 0.467 108 V N 2.609 122.418 119.914 -0.175 0.000 2.385 108 V HA 0.398 4.518 4.120 0.000 0.000 0.269 108 V C 0.080 176.088 176.094 -0.143 0.000 1.043 108 V CA -0.785 61.353 62.300 -0.269 0.000 0.906 108 V CB -0.472 31.246 31.823 -0.175 0.000 0.995 108 V HN 0.488 nan 8.190 nan 0.000 0.467 109 F N 2.957 122.840 119.950 -0.111 0.000 3.034 109 F HA -0.222 4.305 4.527 0.000 0.000 0.286 109 F C 1.688 177.398 175.800 -0.150 0.000 0.804 109 F CA 1.123 59.053 58.000 -0.116 0.000 1.161 109 F CB -1.842 37.103 39.000 -0.092 0.000 1.317 109 F HN 0.939 nan 8.300 nan 0.000 0.453 110 G N -0.590 108.117 108.800 -0.156 0.000 2.283 110 G HA2 0.154 4.114 3.960 0.000 0.000 0.280 110 G HA3 0.154 4.114 3.960 0.000 0.000 0.280 110 G C 1.379 176.246 174.900 -0.055 0.000 1.029 110 G CA 1.066 45.940 45.100 -0.377 0.000 0.840 110 G HN 2.235 nan 8.290 nan 0.000 0.505 111 G N -1.662 107.180 108.800 0.070 0.000 2.305 111 G HA2 0.150 4.110 3.960 0.000 0.000 0.287 111 G HA3 0.150 4.110 3.960 0.000 0.000 0.287 111 G C 0.780 175.757 174.900 0.128 0.000 1.036 111 G CA 1.100 46.341 45.100 0.235 0.000 0.887 111 G HN 2.294 nan 8.290 nan 0.000 0.505 112 A N -0.268 122.584 122.820 0.054 0.000 2.366 112 A HA 0.697 5.017 4.320 0.000 0.000 0.249 112 A C 0.602 177.954 177.584 -0.386 0.000 1.084 112 A CA -0.178 51.794 52.037 -0.108 0.000 0.794 112 A CB 0.445 19.389 19.000 -0.092 0.000 1.034 112 A HN 0.710 nan 8.150 nan 0.000 0.491 113 L N 1.527 122.424 121.223 -0.544 0.000 2.289 113 L HA 0.629 4.969 4.340 0.000 0.000 0.285 113 L C 0.694 177.243 176.870 -0.536 0.000 1.049 113 L CA 0.354 54.650 54.840 -0.906 0.000 0.804 113 L CB 0.385 41.883 42.059 -0.936 0.000 1.195 113 L HN 0.857 nan 8.230 nan 0.000 0.428 114 G N 1.044 109.645 108.800 -0.332 0.000 2.574 114 G HA2 0.346 4.306 3.960 0.000 0.000 0.299 114 G HA3 0.346 4.306 3.960 0.000 0.000 0.299 114 G C 0.512 175.394 174.900 -0.030 0.000 1.298 114 G CA -0.311 44.694 45.100 -0.158 0.000 0.952 114 G HN 0.702 nan 8.290 nan 0.000 0.477 115 E N -0.147 120.027 120.200 -0.044 0.000 2.136 115 E HA -0.229 4.121 4.350 0.000 0.000 0.208 115 E C 2.499 179.120 176.600 0.035 0.000 1.035 115 E CA 2.055 58.450 56.400 -0.009 0.000 0.838 115 E CB 0.016 29.715 29.700 -0.002 0.000 0.748 115 E HN 0.288 nan 8.360 nan 0.000 0.459 116 V N 0.292 120.248 119.914 0.069 0.000 2.407 116 V HA -0.246 3.874 4.120 0.000 0.000 0.248 116 V C 2.089 178.244 176.094 0.103 0.000 1.055 116 V CA 1.942 64.293 62.300 0.085 0.000 1.049 116 V CB -0.691 31.199 31.823 0.111 0.000 0.662 116 V HN 0.378 nan 8.190 nan 0.000 0.455 117 Y N 2.089 122.386 120.300 -0.005 0.000 2.181 117 Y HA -0.095 4.455 4.550 0.000 0.000 0.288 117 Y C 2.327 178.195 175.900 -0.053 0.000 1.146 117 Y CA 1.455 59.550 58.100 -0.009 0.000 1.164 117 Y CB -0.903 37.547 38.460 -0.016 0.000 0.982 117 Y HN 0.184 nan 8.280 nan 0.000 0.515 118 G N -0.396 108.552 108.800 0.247 0.000 2.418 118 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 118 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 118 G C 1.444 176.347 174.900 0.004 0.000 1.158 118 G CA 0.811 45.962 45.100 0.086 0.000 0.771 118 G HN 0.507 nan 8.290 nan 0.000 0.545 119 Q N -0.033 119.772 119.800 0.008 0.000 2.170 119 Q HA -0.085 4.255 4.340 0.000 0.000 0.203 119 Q C 2.442 178.424 176.000 -0.029 0.000 0.976 119 Q CA 1.260 57.060 55.803 -0.005 0.000 0.858 119 Q CB -0.142 28.603 28.738 0.011 0.000 0.907 119 Q HN 0.447 nan 8.270 nan 0.000 0.433 120 K N 1.051 121.420 120.400 -0.050 0.000 2.032 120 K HA -0.127 4.193 4.320 0.000 0.000 0.209 120 K C 1.936 178.465 176.600 -0.118 0.000 1.048 120 K CA 1.136 57.370 56.287 -0.088 0.000 0.927 120 K CB -0.020 32.383 32.500 -0.161 0.000 0.712 120 K HN 0.138 nan 8.250 nan 0.000 0.441 121 I N 0.272 120.735 120.570 -0.180 0.000 2.315 121 I HA -0.232 3.938 4.170 0.000 0.000 0.248 121 I C 1.978 177.987 176.117 -0.180 0.000 1.117 121 I CA 0.785 61.915 61.300 -0.284 0.000 1.404 121 I CB -0.143 37.633 38.000 -0.374 0.000 1.071 121 I HN 0.015 nan 8.210 nan 0.000 0.419 122 V N 1.072 120.928 119.914 -0.096 0.000 2.407 122 V HA -0.309 3.811 4.120 0.000 0.000 0.248 122 V C 2.525 178.615 176.094 -0.007 0.000 1.055 122 V CA 1.831 64.107 62.300 -0.041 0.000 1.049 122 V CB -0.672 31.141 31.823 -0.016 0.000 0.662 122 V HN 0.406 nan 8.190 nan 0.000 0.455 123 K N -0.002 120.394 120.400 -0.007 0.000 2.057 123 K HA -0.155 4.165 4.320 0.000 0.000 0.207 123 K C 1.994 178.640 176.600 0.077 0.000 1.049 123 K CA 1.719 58.025 56.287 0.032 0.000 0.931 123 K CB -0.105 32.403 32.500 0.012 0.000 0.714 123 K HN 0.461 nan 8.250 nan 0.000 0.440 124 V N 0.760 120.696 119.914 0.037 0.000 2.295 124 V HA -0.276 3.844 4.120 0.000 0.000 0.246 124 V C 2.359 178.540 176.094 0.145 0.000 1.049 124 V CA 1.769 64.125 62.300 0.093 0.000 1.024 124 V CB -0.621 31.226 31.823 0.039 0.000 0.648 124 V HN 0.309 nan 8.190 nan 0.000 0.447 125 M N 0.238 119.871 119.600 0.054 0.000 2.117 125 M HA -0.154 4.326 4.480 0.000 0.000 0.262 125 M C 2.069 178.426 176.300 0.095 0.000 1.065 125 M CA 1.878 57.220 55.300 0.069 0.000 1.114 125 M CB -0.730 31.878 32.600 0.013 0.000 1.361 125 M HN 0.321 nan 8.290 nan 0.000 0.408 126 D N 0.208 120.662 120.400 0.090 0.000 2.144 126 D HA -0.137 4.503 4.640 0.000 0.000 0.199 126 D C 1.666 178.028 176.300 0.104 0.000 0.984 126 D CA 1.093 55.144 54.000 0.085 0.000 0.834 126 D CB -0.349 40.495 40.800 0.074 0.000 0.955 126 D HN 0.251 nan 8.370 nan 0.000 0.465 127 F N 1.743 121.699 119.950 0.010 0.000 2.126 127 F HA -0.186 4.341 4.527 0.000 0.000 0.299 127 F C 2.164 177.962 175.800 -0.003 0.000 1.096 127 F CA 1.607 59.603 58.000 -0.006 0.000 1.255 127 F CB -0.258 38.746 39.000 0.008 0.000 0.997 127 F HN -0.061 nan 8.300 nan 0.000 0.479 128 A N 0.346 123.227 122.820 0.102 0.000 1.873 128 A HA -0.133 4.187 4.320 0.000 0.000 0.215 128 A C 2.278 179.850 177.584 -0.020 0.000 1.186 128 A CA 1.603 53.659 52.037 0.031 0.000 0.616 128 A CB -1.274 17.812 19.000 0.143 0.000 0.823 128 A HN 0.525 nan 8.150 nan 0.000 0.442 129 L N -0.441 120.790 121.223 0.013 0.000 2.046 129 L HA -0.186 4.154 4.340 0.000 0.000 0.208 129 L C 2.546 179.393 176.870 -0.039 0.000 1.077 129 L CA 2.233 57.079 54.840 0.010 0.000 0.747 129 L CB -0.246 41.834 42.059 0.035 0.000 0.896 129 L HN 0.501 nan 8.230 nan 0.000 0.432 130 K N -0.880 119.474 120.400 -0.077 0.000 1.985 130 K HA -0.211 4.109 4.320 0.000 0.000 0.210 130 K C 2.062 178.560 176.600 -0.170 0.000 1.047 130 K CA 2.138 58.357 56.287 -0.113 0.000 0.932 130 K CB -0.280 32.145 32.500 -0.124 0.000 0.716 130 K HN 0.526 nan 8.250 nan 0.000 0.439 131 T N -2.796 111.581 114.554 -0.295 0.000 2.777 131 T HA 0.032 4.382 4.350 0.000 0.000 0.266 131 T C 1.243 175.841 174.700 -0.169 0.000 1.040 131 T CA 1.026 62.936 62.100 -0.317 0.000 1.141 131 T CB -0.461 68.055 68.868 -0.587 0.000 0.868 131 T HN 0.464 nan 8.240 nan 0.000 0.444 132 G N 1.021 109.754 108.800 -0.113 0.000 2.414 132 G HA2 -0.084 3.876 3.960 0.000 0.000 0.256 132 G HA3 -0.084 3.876 3.960 0.000 0.000 0.256 132 G C 0.056 174.946 174.900 -0.018 0.000 1.128 132 G CA -0.293 44.784 45.100 -0.040 0.000 0.944 132 G HN 1.484 nan 8.290 nan 0.000 0.500 133 C N -2.146 117.151 119.300 -0.006 0.000 2.898 133 C HA 0.949 5.409 4.460 0.000 0.000 0.304 133 C C -2.454 172.577 174.990 0.069 0.000 1.237 133 C CA -2.602 56.434 59.018 0.029 0.000 1.529 133 C CB 1.942 29.706 27.740 0.039 0.000 2.021 133 C HN 0.234 nan 8.230 nan 0.000 0.474 134 P HA 0.355 nan 4.420 nan 0.000 0.275 134 P C -0.763 176.609 177.300 0.120 0.000 1.228 134 P CA -0.075 63.074 63.100 0.082 0.000 0.786 134 P CB 0.727 32.441 31.700 0.023 0.000 0.927 135 V N 4.295 124.301 119.914 0.154 0.000 2.357 135 V HA 0.186 4.306 4.120 0.000 0.000 0.284 135 V C 0.031 176.240 176.094 0.191 0.000 1.018 135 V CA -0.601 61.820 62.300 0.202 0.000 0.841 135 V CB 1.868 33.837 31.823 0.244 0.000 0.991 135 V HN 0.210 nan 8.190 nan 0.000 0.437 136 V N 4.790 124.790 119.914 0.143 0.000 2.364 136 V HA 0.606 4.726 4.120 0.000 0.000 0.272 136 V C 0.826 176.925 176.094 0.008 0.000 1.036 136 V CA -0.151 62.195 62.300 0.076 0.000 0.880 136 V CB 1.384 33.213 31.823 0.010 0.000 0.991 136 V HN 0.926 nan 8.190 nan 0.000 0.460 137 G N 5.226 114.002 108.800 -0.040 0.000 2.372 137 G HA2 0.665 4.625 3.960 0.000 0.000 0.323 137 G HA3 0.665 4.625 3.960 0.000 0.000 0.323 137 G C -1.022 173.445 174.900 -0.720 0.000 1.152 137 G CA -0.448 44.194 45.100 -0.763 0.000 0.906 137 G HN 0.501 nan 8.290 nan 0.000 0.460 138 I N 2.308 122.317 120.570 -0.935 0.000 2.354 138 I HA 0.303 4.473 4.170 0.000 0.000 0.292 138 I C -0.549 175.395 176.117 -0.289 0.000 0.989 138 I CA -1.318 59.730 61.300 -0.420 0.000 1.188 138 I CB 1.703 39.541 38.000 -0.271 0.000 1.342 138 I HN 0.539 nan 8.210 nan 0.000 0.457 139 N N 3.675 122.321 118.700 -0.090 0.000 2.372 139 N HA 0.347 5.087 4.740 0.000 0.000 0.285 139 N C -0.497 175.024 175.510 0.019 0.000 1.008 139 N CA -0.696 52.379 53.050 0.042 0.000 0.880 139 N CB 2.056 40.616 38.487 0.121 0.000 1.239 139 N HN 0.485 nan 8.380 nan 0.000 0.484 140 D N 0.368 120.796 120.400 0.046 0.000 2.535 140 D HA 0.043 4.683 4.640 0.000 0.000 0.229 140 D C -0.582 175.745 176.300 0.045 0.000 1.238 140 D CA -0.225 53.751 54.000 -0.039 0.000 0.824 140 D CB 0.204 40.950 40.800 -0.090 0.000 1.045 140 D HN 0.468 nan 8.370 nan 0.000 0.500 141 S N -0.765 115.014 115.700 0.132 0.000 2.525 141 S HA 0.303 4.773 4.470 0.000 0.000 0.285 141 S C 1.666 176.357 174.600 0.150 0.000 1.283 141 S CA 0.338 58.645 58.200 0.178 0.000 1.072 141 S CB 1.005 64.297 63.200 0.153 0.000 0.867 141 S HN 0.287 nan 8.310 nan 0.000 0.492 142 G N 3.795 112.728 108.800 0.222 0.000 2.422 142 G HA2 0.406 4.366 3.960 0.000 0.000 0.218 142 G HA3 0.406 4.366 3.960 0.000 0.000 0.218 142 G C 0.755 175.733 174.900 0.131 0.000 1.146 142 G CA 0.551 45.787 45.100 0.227 0.000 0.769 142 G HN 1.332 nan 8.290 nan 0.000 0.547 143 G N -1.733 107.117 108.800 0.084 0.000 2.356 143 G HA2 0.572 4.532 3.960 0.000 0.000 0.281 143 G HA3 0.572 4.532 3.960 0.000 0.000 0.281 143 G C -1.486 173.452 174.900 0.064 0.000 1.246 143 G CA -0.003 45.139 45.100 0.070 0.000 0.889 143 G HN 0.887 nan 8.290 nan 0.000 0.486 144 A N 0.208 123.082 122.820 0.089 0.000 2.260 144 A HA 0.746 5.066 4.320 0.000 0.000 0.308 144 A C 0.575 178.103 177.584 -0.093 0.000 1.254 144 A CA -0.336 51.695 52.037 -0.009 0.000 0.874 144 A CB 0.468 19.575 19.000 0.177 0.000 1.153 144 A HN 0.692 nan 8.150 nan 0.000 0.527 145 R N 2.205 122.586 120.500 -0.199 0.000 2.502 145 R HA 0.040 4.380 4.340 0.000 0.000 0.292 145 R C 0.364 176.563 176.300 -0.169 0.000 0.998 145 R CA -0.225 55.754 56.100 -0.201 0.000 1.056 145 R CB 0.100 30.214 30.300 -0.311 0.000 0.939 145 R HN 0.704 nan 8.270 nan 0.000 0.411 146 I N 3.667 124.148 120.570 -0.149 0.000 2.226 146 I HA -0.260 3.910 4.170 0.000 0.000 0.245 146 I C 2.100 178.093 176.117 -0.207 0.000 1.100 146 I CA 1.424 62.630 61.300 -0.157 0.000 1.374 146 I CB -0.434 37.467 38.000 -0.165 0.000 1.057 146 I HN 0.625 nan 8.210 nan 0.000 0.413 147 Q N 0.453 120.116 119.800 -0.228 0.000 2.124 147 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 147 Q C 2.170 178.126 176.000 -0.074 0.000 0.977 147 Q CA 1.303 56.985 55.803 -0.201 0.000 0.850 147 Q CB -0.351 28.300 28.738 -0.145 0.000 0.901 147 Q HN 0.506 nan 8.270 nan 0.000 0.429 148 E N -0.113 120.018 120.200 -0.115 0.000 2.118 148 E HA -0.070 4.280 4.350 0.000 0.000 0.195 148 E C 1.000 177.592 176.600 -0.014 0.000 0.992 148 E CA 0.810 57.166 56.400 -0.073 0.000 0.804 148 E CB -0.198 29.429 29.700 -0.122 0.000 0.741 148 E HN 0.368 nan 8.360 nan 0.000 0.458 149 G N 0.188 108.970 108.800 -0.030 0.000 2.632 149 G HA2 -0.322 3.638 3.960 0.000 0.000 0.224 149 G HA3 -0.322 3.638 3.960 0.000 0.000 0.224 149 G C 0.840 175.736 174.900 -0.008 0.000 1.341 149 G CA 0.314 45.414 45.100 0.001 0.000 0.880 149 G HN 0.356 nan 8.290 nan 0.000 0.566 150 V N -1.769 118.153 119.914 0.013 0.000 3.186 150 V HA 0.257 4.377 4.120 0.000 0.000 0.270 150 V C 2.965 179.061 176.094 0.005 0.000 1.149 150 V CA 2.410 64.721 62.300 0.018 0.000 1.160 150 V CB -1.421 30.419 31.823 0.029 0.000 0.758 150 V HN 2.264 nan 8.190 nan 0.000 0.516 151 A N 0.469 123.283 122.820 -0.010 0.000 1.940 151 A HA -0.202 4.118 4.320 0.000 0.000 0.219 151 A C 2.548 180.099 177.584 -0.055 0.000 1.176 151 A CA 2.200 54.225 52.037 -0.020 0.000 0.631 151 A CB -0.921 18.066 19.000 -0.021 0.000 0.814 151 A HN 0.562 nan 8.150 nan 0.000 0.446 152 S N -0.642 115.004 115.700 -0.090 0.000 2.368 152 S HA -0.078 4.392 4.470 0.000 0.000 0.225 152 S C 1.900 176.403 174.600 -0.161 0.000 1.030 152 S CA 1.309 59.396 58.200 -0.188 0.000 0.999 152 S CB -0.414 62.662 63.200 -0.206 0.000 0.844 152 S HN 0.514 nan 8.310 nan 0.000 0.459 153 L N 0.592 121.807 121.223 -0.014 0.000 2.083 153 L HA -0.048 4.292 4.340 0.000 0.000 0.209 153 L C 2.722 179.670 176.870 0.130 0.000 1.083 153 L CA 1.349 56.262 54.840 0.121 0.000 0.752 153 L CB -1.182 40.945 42.059 0.114 0.000 0.899 153 L HN 0.471 nan 8.230 nan 0.000 0.433 154 G N -0.479 108.356 108.800 0.058 0.000 2.418 154 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 154 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 154 G C 1.756 176.669 174.900 0.021 0.000 1.158 154 G CA 0.771 45.900 45.100 0.050 0.000 0.771 154 G HN 0.472 nan 8.290 nan 0.000 0.545 155 A N -0.177 122.618 122.820 -0.042 0.000 1.972 155 A HA -0.008 4.312 4.320 0.000 0.000 0.219 155 A C 2.227 179.761 177.584 -0.084 0.000 1.169 155 A CA 1.459 53.449 52.037 -0.078 0.000 0.635 155 A CB -0.590 18.329 19.000 -0.135 0.000 0.810 155 A HN 0.351 nan 8.150 nan 0.000 0.446 156 Y N 0.283 120.496 120.300 -0.145 0.000 2.181 156 Y HA -0.107 4.443 4.550 0.000 0.000 0.288 156 Y C 2.757 178.322 175.900 -0.558 0.000 1.146 156 Y CA 0.780 58.668 58.100 -0.355 0.000 1.164 156 Y CB -1.085 37.253 38.460 -0.204 0.000 0.982 156 Y HN 0.308 nan 8.280 nan 0.000 0.515 157 G N -0.665 108.142 108.800 0.012 0.000 2.422 157 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 157 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 157 G C 1.641 176.569 174.900 0.047 0.000 1.146 157 G CA 0.785 45.971 45.100 0.144 0.000 0.769 157 G HN 0.232 nan 8.290 nan 0.000 0.547 158 E N 0.725 120.923 120.200 -0.004 0.000 2.085 158 E HA -0.101 4.249 4.350 0.000 0.000 0.194 158 E C 2.642 179.227 176.600 -0.026 0.000 0.994 158 E CA 0.593 56.994 56.400 0.002 0.000 0.801 158 E CB -0.302 29.394 29.700 -0.006 0.000 0.743 158 E HN 0.560 nan 8.360 nan 0.000 0.453 159 I N 0.052 120.553 120.570 -0.115 0.000 2.226 159 I HA -0.240 3.930 4.170 0.000 0.000 0.245 159 I C 2.165 178.233 176.117 -0.082 0.000 1.100 159 I CA 0.933 62.147 61.300 -0.144 0.000 1.374 159 I CB -0.522 37.339 38.000 -0.231 0.000 1.057 159 I HN -0.030 nan 8.210 nan 0.000 0.413 160 F N 1.152 121.120 119.950 0.029 0.000 2.075 160 F HA -0.148 4.379 4.527 0.000 0.000 0.297 160 F C 2.755 178.506 175.800 -0.080 0.000 1.113 160 F CA 1.261 59.246 58.000 -0.024 0.000 1.218 160 F CB -1.037 37.932 39.000 -0.052 0.000 0.984 160 F HN -0.030 nan 8.300 nan 0.000 0.472 161 R N 0.588 121.149 120.500 0.102 0.000 2.083 161 R HA -0.190 4.150 4.340 0.000 0.000 0.237 161 R C 2.323 178.522 176.300 -0.169 0.000 1.137 161 R CA 1.584 57.637 56.100 -0.079 0.000 0.951 161 R CB -0.291 30.004 30.300 -0.009 0.000 0.851 161 R HN 0.099 nan 8.270 nan 0.000 0.434 162 R N 0.387 120.883 120.500 -0.007 0.000 2.081 162 R HA -0.054 4.286 4.340 0.000 0.000 0.235 162 R C 2.060 178.385 176.300 0.043 0.000 1.131 162 R CA 2.067 58.194 56.100 0.047 0.000 0.960 162 R CB -0.501 29.832 30.300 0.055 0.000 0.856 162 R HN 0.443 nan 8.270 nan 0.000 0.436 163 N N -1.326 117.403 118.700 0.049 0.000 2.166 163 N HA -0.132 4.608 4.740 0.000 0.000 0.186 163 N C 1.177 176.713 175.510 0.042 0.000 1.019 163 N CA 1.706 54.804 53.050 0.080 0.000 0.856 163 N CB 0.070 38.643 38.487 0.143 0.000 0.993 163 N HN 0.222 nan 8.380 nan 0.000 0.426 164 T N -0.274 114.262 114.554 -0.031 0.000 2.737 164 T HA -0.109 4.241 4.350 0.000 0.000 0.265 164 T C 1.376 176.069 174.700 -0.010 0.000 1.038 164 T CA 1.055 63.108 62.100 -0.079 0.000 1.144 164 T CB -0.383 68.375 68.868 -0.183 0.000 0.866 164 T HN 0.303 nan 8.240 nan 0.000 0.434 165 H N 1.311 120.397 119.070 0.027 0.000 2.387 165 H HA 0.210 4.766 4.556 0.000 0.000 0.299 165 H C 2.587 177.929 175.328 0.023 0.000 1.090 165 H CA 1.060 57.121 56.048 0.022 0.000 1.332 165 H CB -0.826 28.952 29.762 0.026 0.000 1.386 165 H HN 0.416 nan 8.280 nan 0.000 0.516 166 A N 0.799 123.713 122.820 0.156 0.000 1.902 166 A HA -0.105 4.215 4.320 0.000 0.000 0.217 166 A C 1.691 179.322 177.584 0.079 0.000 1.181 166 A CA 0.893 52.995 52.037 0.109 0.000 0.623 166 A CB -0.627 18.440 19.000 0.112 0.000 0.818 166 A HN 0.383 nan 8.150 nan 0.000 0.443 167 S N -0.630 115.107 115.700 0.060 0.000 2.544 167 S HA 0.382 4.852 4.470 0.000 0.000 0.290 167 S C 1.151 175.743 174.600 -0.014 0.000 1.276 167 S CA 0.791 59.014 58.200 0.038 0.000 1.075 167 S CB 0.154 63.361 63.200 0.012 0.000 0.849 167 S HN 2.077 nan 8.310 nan 0.000 0.494 168 G N 2.400 111.159 108.800 -0.068 0.000 2.175 168 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 168 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 168 G C 0.489 175.304 174.900 -0.141 0.000 0.982 168 G CA 0.246 45.215 45.100 -0.218 0.000 0.641 168 G HN 1.261 nan 8.290 nan 0.000 0.527 169 V N -0.045 119.869 119.914 0.000 0.000 2.627 169 V HA 0.466 4.586 4.120 0.000 0.000 0.239 169 V C 1.216 177.414 176.094 0.174 0.000 1.077 169 V CA 1.585 63.924 62.300 0.065 0.000 1.103 169 V CB -0.125 31.731 31.823 0.055 0.000 0.802 169 V HN 0.870 nan 8.190 nan 0.000 0.482 170 I N -1.862 118.827 120.570 0.199 0.000 2.498 170 I HA 0.685 4.855 4.170 0.000 0.000 0.290 170 I C -3.173 173.128 176.117 0.306 0.000 1.032 170 I CA -2.626 58.819 61.300 0.242 0.000 1.073 170 I CB 2.011 40.093 38.000 0.137 0.000 1.251 170 I HN -0.095 nan 8.210 nan 0.000 0.426 171 P HA 0.175 nan 4.420 nan 0.000 0.271 171 P C -1.383 176.055 177.300 0.231 0.000 1.216 171 P CA -0.057 63.242 63.100 0.331 0.000 0.776 171 P CB 0.577 32.190 31.700 -0.146 0.000 0.881 172 Q N 2.882 122.842 119.800 0.268 0.000 2.333 172 Q HA 0.585 4.925 4.340 0.000 0.000 0.268 172 Q C -0.646 175.499 176.000 0.241 0.000 1.007 172 Q CA -0.534 55.404 55.803 0.225 0.000 0.810 172 Q CB 1.875 30.738 28.738 0.209 0.000 1.264 172 Q HN 0.407 nan 8.270 nan 0.000 0.452 173 I N 1.336 122.031 120.570 0.208 0.000 2.406 173 I HA 0.301 4.471 4.170 0.000 0.000 0.290 173 I C -0.317 175.905 176.117 0.176 0.000 0.999 173 I CA -0.718 60.708 61.300 0.210 0.000 1.124 173 I CB 2.097 40.180 38.000 0.138 0.000 1.289 173 I HN 0.482 nan 8.210 nan 0.000 0.441 174 S N 6.542 122.357 115.700 0.192 0.000 2.438 174 S HA 0.429 4.899 4.470 0.000 0.000 0.316 174 S C -0.491 174.171 174.600 0.102 0.000 1.084 174 S CA -0.480 57.806 58.200 0.143 0.000 1.107 174 S CB 0.845 64.141 63.200 0.159 0.000 0.981 174 S HN 0.310 nan 8.310 nan 0.000 0.466 175 L N 6.126 127.367 121.223 0.030 0.000 2.257 175 L HA 0.537 4.877 4.340 0.000 0.000 0.290 175 L C -0.921 175.942 176.870 -0.011 0.000 1.044 175 L CA -0.300 54.548 54.840 0.014 0.000 0.810 175 L CB 1.136 43.179 42.059 -0.027 0.000 1.193 175 L HN 0.346 nan 8.230 nan 0.000 0.425 176 V N 6.447 126.365 119.914 0.005 0.000 2.347 176 V HA 0.231 4.351 4.120 0.000 0.000 0.280 176 V C 0.843 176.925 176.094 -0.020 0.000 1.021 176 V CA -0.364 61.930 62.300 -0.009 0.000 0.847 176 V CB 1.565 33.385 31.823 -0.005 0.000 0.990 176 V HN 0.661 nan 8.190 nan 0.000 0.444 177 V N 1.643 121.536 119.914 -0.035 0.000 3.477 177 V HA 0.681 4.801 4.120 0.000 0.000 0.297 177 V C 0.631 176.685 176.094 -0.067 0.000 1.433 177 V CA 0.584 62.858 62.300 -0.044 0.000 1.052 177 V CB 0.317 32.110 31.823 -0.050 0.000 0.895 177 V HN 0.781 nan 8.190 nan 0.000 0.438 178 G N 0.077 108.834 108.800 -0.072 0.000 2.619 178 G HA2 0.678 4.638 3.960 0.000 0.000 0.296 178 G HA3 0.678 4.638 3.960 0.000 0.000 0.296 178 G C -3.457 171.406 174.900 -0.062 0.000 1.334 178 G CA -2.033 42.982 45.100 -0.142 0.000 0.934 178 G HN 0.024 nan 8.290 nan 0.000 0.476 179 P HA 0.168 nan 4.420 nan 0.000 0.263 179 P C -0.373 176.924 177.300 -0.004 0.000 1.175 179 P CA -0.056 63.074 63.100 0.050 0.000 0.761 179 P CB 0.646 32.353 31.700 0.012 0.000 0.794 180 C N 3.673 122.928 119.300 -0.076 0.000 2.408 180 C HA 0.824 5.284 4.460 0.000 0.000 0.321 180 C C -0.026 174.583 174.990 -0.634 0.000 1.245 180 C CA 0.114 59.009 59.018 -0.206 0.000 1.523 180 C CB 0.291 27.951 27.740 -0.134 0.000 2.178 180 C HN 0.645 nan 8.230 nan 0.000 0.488 181 A N 3.806 126.253 122.820 -0.622 0.000 2.454 181 A HA 0.950 5.270 4.320 0.000 0.000 0.302 181 A C 0.253 177.611 177.584 -0.377 0.000 1.079 181 A CA 0.544 51.972 52.037 -1.014 0.000 0.731 181 A CB 0.918 19.470 19.000 -0.746 0.000 1.299 181 A HN 2.448 nan 8.150 nan 0.000 0.413 182 G N 0.630 109.269 108.800 -0.268 0.000 2.525 182 G HA2 0.126 4.086 3.960 0.000 0.000 0.248 182 G HA3 0.126 4.086 3.960 0.000 0.000 0.248 182 G C 1.179 175.957 174.900 -0.205 0.000 1.238 182 G CA 0.564 45.598 45.100 -0.111 0.000 0.926 182 G HN 2.113 nan 8.290 nan 0.000 0.574 183 G N 0.156 108.853 108.800 -0.171 0.000 2.535 183 G HA2 0.297 4.257 3.960 0.000 0.000 0.218 183 G HA3 0.297 4.257 3.960 0.000 0.000 0.218 183 G C 1.978 176.696 174.900 -0.303 0.000 1.122 183 G CA 2.437 47.445 45.100 -0.153 0.000 0.769 183 G HN 1.915 nan 8.290 nan 0.000 0.549 184 A N 0.692 123.253 122.820 -0.431 0.000 2.019 184 A HA 0.018 4.338 4.320 0.000 0.000 0.219 184 A C 2.684 180.208 177.584 -0.100 0.000 1.164 184 A CA 2.102 53.968 52.037 -0.286 0.000 0.644 184 A CB -0.596 18.367 19.000 -0.062 0.000 0.805 184 A HN 0.863 nan 8.150 nan 0.000 0.449 185 V N -3.944 115.847 119.914 -0.205 0.000 2.407 185 V HA -0.253 3.868 4.120 0.000 0.000 0.248 185 V C 2.233 178.278 176.094 -0.081 0.000 1.055 185 V CA 1.864 64.038 62.300 -0.210 0.000 1.049 185 V CB -1.442 30.162 31.823 -0.365 0.000 0.662 185 V HN 0.468 nan 8.190 nan 0.000 0.455 186 Y N 1.336 121.631 120.300 -0.009 0.000 2.224 186 Y HA -0.114 4.436 4.550 0.000 0.000 0.289 186 Y C 3.216 179.191 175.900 0.126 0.000 1.146 186 Y CA 1.524 59.589 58.100 -0.059 0.000 1.182 186 Y CB -0.885 37.327 38.460 -0.414 0.000 0.983 186 Y HN 0.353 nan 8.280 nan 0.000 0.524 187 S N -0.356 115.649 115.700 0.509 0.000 2.368 187 S HA -0.098 4.372 4.470 0.000 0.000 0.225 187 S C -0.572 174.170 174.600 0.237 0.000 1.030 187 S CA 1.334 59.776 58.200 0.404 0.000 0.999 187 S CB -1.049 62.310 63.200 0.264 0.000 0.844 187 S HN 0.213 nan 8.310 nan 0.000 0.459 188 P HA 0.055 nan 4.420 nan 0.000 0.218 188 P C 1.413 178.778 177.300 0.109 0.000 1.149 188 P CA 1.375 64.556 63.100 0.135 0.000 0.817 188 P CB -0.225 31.521 31.700 0.077 0.000 0.785 189 A N -0.152 122.721 122.820 0.087 0.000 1.908 189 A HA -0.187 4.133 4.320 0.000 0.000 0.218 189 A C 2.173 179.796 177.584 0.066 0.000 1.181 189 A CA 1.469 53.538 52.037 0.052 0.000 0.627 189 A CB -1.549 17.489 19.000 0.063 0.000 0.818 189 A HN 0.091 nan 8.150 nan 0.000 0.445 190 I N 0.763 121.388 120.570 0.093 0.000 2.226 190 I HA -0.123 4.047 4.170 0.000 0.000 0.245 190 I C 1.359 177.530 176.117 0.091 0.000 1.100 190 I CA 1.179 62.525 61.300 0.076 0.000 1.374 190 I CB -1.578 36.480 38.000 0.097 0.000 1.057 190 I HN 0.430 nan 8.210 nan 0.000 0.413 191 T N -0.844 113.787 114.554 0.130 0.000 2.932 191 T HA -0.004 4.346 4.350 0.000 0.000 0.312 191 T C 0.808 175.590 174.700 0.137 0.000 1.071 191 T CA -0.509 61.682 62.100 0.151 0.000 1.128 191 T CB 1.104 70.085 68.868 0.188 0.000 0.984 191 T HN 0.102 nan 8.240 nan 0.000 0.549 192 D N 0.623 121.099 120.400 0.126 0.000 2.144 192 D HA 0.028 4.668 4.640 0.000 0.000 0.199 192 D C 0.054 176.204 176.300 -0.251 0.000 0.984 192 D CA 1.360 55.352 54.000 -0.013 0.000 0.834 192 D CB -0.098 40.775 40.800 0.121 0.000 0.955 192 D HN 0.550 nan 8.370 nan 0.000 0.465 193 F N -0.474 119.531 119.950 0.091 0.000 2.576 193 F HA 0.318 4.845 4.527 0.000 0.000 0.313 193 F C -0.025 175.888 175.800 0.188 0.000 1.078 193 F CA -0.826 57.060 58.000 -0.191 0.000 0.921 193 F CB 2.171 40.999 39.000 -0.287 0.000 1.232 193 F HN -0.486 nan 8.300 nan 0.000 0.459 194 T N 2.502 117.506 114.554 0.751 0.000 2.786 194 T HA 0.611 4.961 4.350 0.000 0.000 0.283 194 T C -0.811 174.121 174.700 0.386 0.000 0.992 194 T CA -0.622 61.735 62.100 0.428 0.000 0.954 194 T CB 1.394 70.422 68.868 0.267 0.000 0.934 194 T HN 0.258 nan 8.240 nan 0.000 0.440 195 V N 5.599 125.667 119.914 0.256 0.000 2.448 195 V HA 0.709 4.829 4.120 0.000 0.000 0.295 195 V C -0.051 176.088 176.094 0.076 0.000 1.025 195 V CA -0.783 61.636 62.300 0.198 0.000 0.859 195 V CB 1.391 33.373 31.823 0.264 0.000 0.988 195 V HN 0.978 nan 8.190 nan 0.000 0.431 196 M N 4.710 124.303 119.600 -0.012 0.000 2.631 196 M HA 0.892 5.372 4.480 0.000 0.000 0.288 196 M C -2.021 174.211 176.300 -0.113 0.000 1.260 196 M CA -0.736 54.537 55.300 -0.046 0.000 0.842 196 M CB 2.479 35.062 32.600 -0.029 0.000 1.743 196 M HN 0.219 nan 8.290 nan 0.000 0.461 197 V N 1.376 121.240 119.914 -0.083 0.000 2.555 197 V HA 0.315 4.435 4.120 0.000 0.000 0.302 197 V C -0.657 175.390 176.094 -0.079 0.000 1.038 197 V CA -0.411 61.832 62.300 -0.096 0.000 0.887 197 V CB 1.692 33.476 31.823 -0.065 0.000 0.991 197 V HN 0.916 nan 8.190 nan 0.000 0.434 198 D N 3.566 123.912 120.400 -0.090 0.000 2.458 198 D HA 0.127 4.767 4.640 0.000 0.000 0.243 198 D C 0.857 177.130 176.300 -0.044 0.000 1.146 198 D CA 0.933 54.888 54.000 -0.075 0.000 0.877 198 D CB 0.622 41.379 40.800 -0.072 0.000 1.176 198 D HN 0.642 nan 8.370 nan 0.000 0.461 199 Q N 1.462 121.237 119.800 -0.042 0.000 2.340 199 Q HA -0.183 4.157 4.340 0.000 0.000 0.174 199 Q C 0.774 176.828 176.000 0.090 0.000 0.585 199 Q CA 1.650 57.464 55.803 0.019 0.000 1.358 199 Q CB -1.755 26.989 28.738 0.010 0.000 1.286 199 Q HN 0.596 nan 8.270 nan 0.000 0.940 200 T N -0.900 113.687 114.554 0.054 0.000 2.964 200 T HA 0.131 4.481 4.350 0.000 0.000 0.249 200 T C 0.334 175.100 174.700 0.110 0.000 1.000 200 T CA 0.618 62.754 62.100 0.060 0.000 0.992 200 T CB 0.540 69.406 68.868 -0.002 0.000 1.087 200 T HN 0.132 nan 8.240 nan 0.000 0.489 201 S N 1.766 117.517 115.700 0.085 0.000 2.449 201 S HA 0.613 5.083 4.470 0.000 0.000 0.310 201 S C -1.308 173.344 174.600 0.086 0.000 1.096 201 S CA -0.725 57.528 58.200 0.088 0.000 1.095 201 S CB 0.975 64.178 63.200 0.005 0.000 1.007 201 S HN 0.334 nan 8.310 nan 0.000 0.474 202 H N 1.488 120.585 119.070 0.045 0.000 2.529 202 H HA 0.613 5.169 4.556 0.000 0.000 0.348 202 H C -0.696 174.747 175.328 0.192 0.000 1.079 202 H CA -0.368 55.779 56.048 0.165 0.000 1.198 202 H CB 1.219 31.088 29.762 0.179 0.000 1.521 202 H HN 0.462 nan 8.280 nan 0.000 0.514 203 M N 3.844 123.675 119.600 0.385 0.000 2.326 203 M HA 0.487 4.967 4.480 0.000 0.000 0.306 203 M C -1.588 174.984 176.300 0.453 0.000 1.054 203 M CA -0.787 54.658 55.300 0.241 0.000 0.922 203 M CB 1.783 34.368 32.600 -0.024 0.000 1.632 203 M HN 0.569 nan 8.290 nan 0.000 0.436 204 F N 1.182 121.222 119.950 0.151 0.000 2.622 204 F HA 0.502 5.029 4.527 0.000 0.000 0.318 204 F C -0.241 175.561 175.800 0.004 0.000 1.135 204 F CA -1.108 56.952 58.000 0.100 0.000 1.015 204 F CB 0.456 39.532 39.000 0.126 0.000 1.275 204 F HN 0.473 nan 8.300 nan 0.000 0.457 205 I N 2.036 122.653 120.570 0.078 0.000 2.252 205 I HA 0.058 4.228 4.170 0.000 0.000 0.245 205 I C 0.466 176.645 176.117 0.103 0.000 1.102 205 I CA 1.532 62.803 61.300 -0.047 0.000 1.385 205 I CB -0.190 37.754 38.000 -0.094 0.000 1.064 205 I HN 0.759 nan 8.210 nan 0.000 0.414 206 T N -0.273 114.426 114.554 0.241 0.000 2.921 206 T HA 0.687 5.037 4.350 0.000 0.000 0.297 206 T C 0.047 174.871 174.700 0.206 0.000 1.013 206 T CA -0.385 61.842 62.100 0.211 0.000 0.990 206 T CB 1.193 70.109 68.868 0.081 0.000 1.023 206 T HN 0.317 nan 8.240 nan 0.000 0.447 207 G N 1.969 110.841 108.800 0.120 0.000 2.569 207 G HA2 0.436 4.396 3.960 0.000 0.000 0.249 207 G HA3 0.436 4.396 3.960 0.000 0.000 0.249 207 G C -1.656 173.082 174.900 -0.268 0.000 1.216 207 G CA -1.469 43.503 45.100 -0.213 0.000 0.845 207 G HN 0.446 nan 8.290 nan 0.000 0.568 208 P HA -0.068 nan 4.420 nan 0.000 0.215 208 P C 0.934 178.092 177.300 -0.236 0.000 1.153 208 P CA 1.377 64.229 63.100 -0.414 0.000 0.853 208 P CB 0.179 31.479 31.700 -0.667 0.000 0.788 209 D N -0.846 119.440 120.400 -0.189 0.000 2.117 209 D HA -0.122 4.518 4.640 0.000 0.000 0.197 209 D C 1.834 178.086 176.300 -0.079 0.000 0.987 209 D CA 0.911 54.844 54.000 -0.112 0.000 0.829 209 D CB -1.123 39.637 40.800 -0.067 0.000 0.961 209 D HN 0.005 nan 8.370 nan 0.000 0.460 210 V N 1.936 121.810 119.914 -0.066 0.000 2.407 210 V HA -0.218 3.902 4.120 0.000 0.000 0.248 210 V C 2.494 178.561 176.094 -0.045 0.000 1.055 210 V CA 1.478 63.754 62.300 -0.040 0.000 1.049 210 V CB -0.918 30.895 31.823 -0.017 0.000 0.662 210 V HN 0.350 nan 8.190 nan 0.000 0.455 211 I N -0.922 119.609 120.570 -0.065 0.000 2.226 211 I HA -0.241 3.929 4.170 0.000 0.000 0.245 211 I C 2.402 178.485 176.117 -0.058 0.000 1.100 211 I CA 1.871 63.135 61.300 -0.061 0.000 1.374 211 I CB -0.703 37.249 38.000 -0.081 0.000 1.057 211 I HN 0.183 nan 8.210 nan 0.000 0.413 212 K N 1.061 121.419 120.400 -0.070 0.000 2.057 212 K HA -0.088 4.232 4.320 0.000 0.000 0.207 212 K C 2.131 178.706 176.600 -0.041 0.000 1.049 212 K CA 2.082 58.334 56.287 -0.059 0.000 0.931 212 K CB -0.440 32.019 32.500 -0.068 0.000 0.714 212 K HN 0.397 nan 8.250 nan 0.000 0.440 213 T N 0.987 115.518 114.554 -0.038 0.000 2.746 213 T HA -0.112 4.238 4.350 0.000 0.000 0.267 213 T C 2.085 176.773 174.700 -0.021 0.000 1.039 213 T CA 1.712 63.797 62.100 -0.026 0.000 1.142 213 T CB -0.153 68.703 68.868 -0.021 0.000 0.866 213 T HN 0.193 nan 8.240 nan 0.000 0.444 214 V N -0.975 118.926 119.914 -0.022 0.000 2.436 214 V HA 0.107 4.227 4.120 0.000 0.000 0.240 214 V C 2.160 178.243 176.094 -0.019 0.000 1.040 214 V CA 1.104 63.394 62.300 -0.017 0.000 1.052 214 V CB -1.114 30.701 31.823 -0.013 0.000 0.707 214 V HN 0.280 nan 8.190 nan 0.000 0.469 215 T N 0.483 115.022 114.554 -0.025 0.000 3.081 215 T HA 0.349 4.699 4.350 0.000 0.000 0.250 215 T C 1.429 176.112 174.700 -0.028 0.000 1.100 215 T CA 0.752 62.837 62.100 -0.025 0.000 1.038 215 T CB 0.021 68.872 68.868 -0.029 0.000 0.962 215 T HN 1.206 nan 8.240 nan 0.000 0.516 216 G N 2.563 111.345 108.800 -0.030 0.000 2.283 216 G HA2 -0.258 3.702 3.960 0.000 0.000 0.280 216 G HA3 -0.258 3.702 3.960 0.000 0.000 0.280 216 G C -0.303 174.576 174.900 -0.036 0.000 1.029 216 G CA -0.042 45.040 45.100 -0.030 0.000 0.840 216 G HN 0.577 nan 8.290 nan 0.000 0.505 217 E N 0.268 120.441 120.200 -0.045 0.000 2.113 217 E HA 0.347 4.697 4.350 0.000 0.000 0.273 217 E C -0.528 176.032 176.600 -0.067 0.000 0.924 217 E CA -0.889 55.480 56.400 -0.052 0.000 0.764 217 E CB 1.076 30.744 29.700 -0.054 0.000 1.104 217 E HN 0.236 nan 8.360 nan 0.000 0.406 218 D N 1.846 122.209 120.400 -0.062 0.000 2.443 218 D HA 0.145 4.785 4.640 0.000 0.000 0.239 218 D C -0.977 175.268 176.300 -0.092 0.000 1.136 218 D CA 0.284 54.239 54.000 -0.075 0.000 0.879 218 D CB 0.832 41.598 40.800 -0.058 0.000 1.195 218 D HN 0.006 nan 8.370 nan 0.000 0.443 219 V N 1.472 121.309 119.914 -0.128 0.000 3.049 219 V HA 0.667 4.787 4.120 0.000 0.000 0.309 219 V C 0.711 176.705 176.094 -0.166 0.000 1.148 219 V CA -1.081 61.132 62.300 -0.144 0.000 0.990 219 V CB 2.043 33.760 31.823 -0.177 0.000 1.039 219 V HN 0.608 nan 8.190 nan 0.000 0.430 220 G N 0.197 108.929 108.800 -0.114 0.000 2.476 220 G HA2 0.440 4.400 3.960 0.000 0.000 0.269 220 G HA3 0.440 4.400 3.960 0.000 0.000 0.269 220 G C 0.133 174.987 174.900 -0.077 0.000 1.195 220 G CA -0.062 44.996 45.100 -0.070 0.000 0.843 220 G HN 0.503 nan 8.290 nan 0.000 0.545 221 F N 0.122 120.075 119.950 0.004 0.000 2.113 221 F HA -0.019 4.508 4.527 0.000 0.000 0.297 221 F C 2.616 178.480 175.800 0.106 0.000 1.103 221 F CA 1.761 59.806 58.000 0.075 0.000 1.248 221 F CB 0.001 39.067 39.000 0.111 0.000 0.999 221 F HN 0.576 nan 8.300 nan 0.000 0.475 222 E N 0.364 120.729 120.200 0.275 0.000 2.077 222 E HA -0.220 4.130 4.350 0.000 0.000 0.193 222 E C 2.193 178.766 176.600 -0.045 0.000 0.989 222 E CA 1.449 57.870 56.400 0.036 0.000 0.800 222 E CB -0.318 29.407 29.700 0.043 0.000 0.746 222 E HN 0.261 nan 8.360 nan 0.000 0.452 223 E N 0.281 120.468 120.200 -0.021 0.000 2.047 223 E HA -0.175 4.175 4.350 0.000 0.000 0.191 223 E C 2.172 178.710 176.600 -0.104 0.000 0.987 223 E CA 1.149 57.509 56.400 -0.066 0.000 0.799 223 E CB -0.436 29.231 29.700 -0.055 0.000 0.752 223 E HN 0.387 nan 8.360 nan 0.000 0.449 224 L N -0.275 120.889 121.223 -0.099 0.000 2.017 224 L HA -0.022 4.318 4.340 0.000 0.000 0.208 224 L C 2.043 178.841 176.870 -0.120 0.000 1.073 224 L CA 2.438 57.205 54.840 -0.122 0.000 0.745 224 L CB -0.363 41.588 42.059 -0.180 0.000 0.894 224 L HN 0.233 nan 8.230 nan 0.000 0.432 225 G N -1.860 106.919 108.800 -0.036 0.000 3.342 225 G HA2 0.274 4.234 3.960 0.000 0.000 0.252 225 G HA3 0.274 4.234 3.960 0.000 0.000 0.252 225 G C 0.641 175.472 174.900 -0.115 0.000 1.011 225 G CA 0.278 45.380 45.100 0.003 0.000 0.869 225 G HN 0.571 nan 8.290 nan 0.000 0.514 226 G N -0.170 108.486 108.800 -0.240 0.000 2.606 226 G HA2 0.451 4.411 3.960 0.000 0.000 0.252 226 G HA3 0.451 4.411 3.960 0.000 0.000 0.252 226 G C 1.253 176.042 174.900 -0.185 0.000 1.206 226 G CA 0.400 45.281 45.100 -0.364 0.000 0.861 226 G HN 0.371 nan 8.290 nan 0.000 0.561 227 A N 0.826 123.549 122.820 -0.162 0.000 1.902 227 A HA -0.082 4.238 4.320 0.000 0.000 0.217 227 A C 2.321 179.871 177.584 -0.055 0.000 1.181 227 A CA 1.834 53.830 52.037 -0.068 0.000 0.623 227 A CB -0.404 18.542 19.000 -0.089 0.000 0.818 227 A HN 0.689 nan 8.150 nan 0.000 0.443 228 R N -0.696 119.756 120.500 -0.080 0.000 2.081 228 R HA -0.118 4.222 4.340 0.000 0.000 0.235 228 R C 2.087 178.347 176.300 -0.066 0.000 1.131 228 R CA 2.026 58.087 56.100 -0.065 0.000 0.960 228 R CB -0.549 29.715 30.300 -0.060 0.000 0.856 228 R HN 0.510 nan 8.270 nan 0.000 0.436 229 T N 0.215 114.704 114.554 -0.107 0.000 2.708 229 T HA -0.135 4.215 4.350 0.000 0.000 0.266 229 T C 1.582 176.190 174.700 -0.154 0.000 1.037 229 T CA 1.265 63.278 62.100 -0.146 0.000 1.146 229 T CB -0.415 68.319 68.868 -0.223 0.000 0.865 229 T HN 0.368 nan 8.240 nan 0.000 0.435 230 H N 0.933 119.939 119.070 -0.106 0.000 2.353 230 H HA 0.034 4.590 4.556 0.000 0.000 0.300 230 H C 2.434 177.646 175.328 -0.194 0.000 1.090 230 H CA 1.306 57.269 56.048 -0.142 0.000 1.327 230 H CB -0.452 29.241 29.762 -0.116 0.000 1.383 230 H HN 0.296 nan 8.280 nan 0.000 0.508 231 N N -0.054 118.639 118.700 -0.012 0.000 2.120 231 N HA -0.139 4.601 4.740 0.000 0.000 0.188 231 N C 2.130 177.607 175.510 -0.055 0.000 1.024 231 N CA 1.942 54.963 53.050 -0.048 0.000 0.852 231 N CB 0.125 38.599 38.487 -0.021 0.000 1.003 231 N HN 0.315 nan 8.380 nan 0.000 0.424 232 S N -2.564 113.126 115.700 -0.017 0.000 2.452 232 S HA 0.101 4.571 4.470 0.000 0.000 0.225 232 S C 1.824 176.495 174.600 0.119 0.000 1.057 232 S CA 0.826 59.081 58.200 0.091 0.000 0.949 232 S CB -0.222 63.017 63.200 0.064 0.000 0.836 232 S HN 0.118 nan 8.310 nan 0.000 0.518 233 T N 1.334 115.879 114.554 -0.014 0.000 3.004 233 T HA 0.206 4.556 4.350 0.000 0.000 0.243 233 T C 2.062 176.713 174.700 -0.082 0.000 1.020 233 T CA 0.994 63.098 62.100 0.006 0.000 1.145 233 T CB -0.538 68.318 68.868 -0.020 0.000 0.876 233 T HN 0.405 nan 8.240 nan 0.000 0.449 234 S N 0.283 115.884 115.700 -0.166 0.000 2.368 234 S HA 0.054 4.524 4.470 0.000 0.000 0.225 234 S C 1.876 176.186 174.600 -0.482 0.000 1.030 234 S CA 1.518 59.613 58.200 -0.175 0.000 0.999 234 S CB -0.944 62.269 63.200 0.022 0.000 0.844 234 S HN 0.812 nan 8.310 nan 0.000 0.459 235 G N 0.253 108.462 108.800 -0.985 0.000 2.258 235 G HA2 -0.256 3.704 3.960 0.000 0.000 0.274 235 G HA3 -0.256 3.704 3.960 0.000 0.000 0.274 235 G C 0.636 175.022 174.900 -0.857 0.000 1.021 235 G CA 0.771 44.602 45.100 -2.116 0.000 0.798 235 G HN 1.332 nan 8.290 nan 0.000 0.507 236 V N -4.002 115.637 119.914 -0.457 0.000 3.621 236 V HA 0.778 4.898 4.120 0.000 0.000 0.285 236 V C 1.057 176.987 176.094 -0.274 0.000 1.346 236 V CA 0.863 62.986 62.300 -0.295 0.000 1.104 236 V CB 0.391 32.096 31.823 -0.197 0.000 0.913 236 V HN 1.593 nan 8.190 nan 0.000 0.432 237 A N -0.559 122.114 122.820 -0.245 0.000 2.271 237 A HA 0.672 4.992 4.320 0.000 0.000 0.317 237 A C 0.478 178.022 177.584 -0.066 0.000 1.245 237 A CA -0.357 51.610 52.037 -0.118 0.000 0.857 237 A CB 0.398 19.370 19.000 -0.046 0.000 1.175 237 A HN 0.498 nan 8.150 nan 0.000 0.512 238 H N 0.451 119.592 119.070 0.119 0.000 2.321 238 H HA -0.035 4.521 4.556 0.000 0.000 0.300 238 H C 0.544 175.971 175.328 0.164 0.000 1.087 238 H CA 2.679 58.860 56.048 0.222 0.000 1.319 238 H CB 0.079 30.101 29.762 0.434 0.000 1.379 238 H HN 0.786 nan 8.280 nan 0.000 0.501 239 H N -0.821 118.295 119.070 0.076 0.000 2.851 239 H HA 0.434 4.990 4.556 0.000 0.000 0.372 239 H C -1.265 173.988 175.328 -0.126 0.000 1.158 239 H CA -1.211 54.745 56.048 -0.153 0.000 1.159 239 H CB 1.186 30.704 29.762 -0.407 0.000 1.757 239 H HN 0.111 nan 8.280 nan 0.000 0.546 240 M N 3.524 122.840 119.600 -0.474 0.000 2.326 240 M HA 0.738 5.218 4.480 0.000 0.000 0.306 240 M C -1.588 174.250 176.300 -0.770 0.000 1.054 240 M CA -0.755 54.245 55.300 -0.501 0.000 0.922 240 M CB 1.551 34.016 32.600 -0.226 0.000 1.632 240 M HN 0.718 nan 8.290 nan 0.000 0.436 241 A N 2.768 125.257 122.820 -0.552 0.000 2.355 241 A HA 0.703 5.023 4.320 0.000 0.000 0.324 241 A C 0.749 178.226 177.584 -0.179 0.000 1.117 241 A CA -0.253 51.544 52.037 -0.401 0.000 0.785 241 A CB 1.238 20.059 19.000 -0.298 0.000 1.254 241 A HN 1.063 nan 8.150 nan 0.000 0.453 242 G N 0.553 109.292 108.800 -0.103 0.000 2.442 242 G HA2 0.149 4.109 3.960 0.000 0.000 0.219 242 G HA3 0.149 4.109 3.960 0.000 0.000 0.219 242 G C 0.260 175.129 174.900 -0.051 0.000 1.141 242 G CA 1.581 46.644 45.100 -0.063 0.000 0.763 242 G HN 1.033 nan 8.290 nan 0.000 0.554 243 D N -3.060 117.314 120.400 -0.043 0.000 2.639 243 D HA 0.167 4.807 4.640 0.000 0.000 0.271 243 D C 0.482 176.770 176.300 -0.020 0.000 1.254 243 D CA -0.755 53.230 54.000 -0.026 0.000 0.810 243 D CB 0.256 41.047 40.800 -0.014 0.000 1.351 243 D HN 0.001 nan 8.370 nan 0.000 0.427 244 E N -0.346 119.845 120.200 -0.014 0.000 2.110 244 E HA -0.191 4.159 4.350 0.000 0.000 0.193 244 E C 1.444 178.044 176.600 -0.001 0.000 0.988 244 E CA 1.551 57.945 56.400 -0.010 0.000 0.804 244 E CB -0.038 29.657 29.700 -0.008 0.000 0.745 244 E HN 0.527 nan 8.360 nan 0.000 0.458 245 K N 1.094 121.495 120.400 0.002 0.000 2.097 245 K HA -0.148 4.172 4.320 0.000 0.000 0.206 245 K C 1.548 178.165 176.600 0.029 0.000 1.049 245 K CA 1.659 57.951 56.287 0.008 0.000 0.933 245 K CB -0.149 32.353 32.500 0.004 0.000 0.717 245 K HN -0.080 nan 8.250 nan 0.000 0.442 246 D N 1.053 121.473 120.400 0.034 0.000 2.117 246 D HA -0.082 4.558 4.640 0.000 0.000 0.197 246 D C 2.005 178.372 176.300 0.112 0.000 0.987 246 D CA 1.803 55.845 54.000 0.070 0.000 0.829 246 D CB -0.426 40.400 40.800 0.043 0.000 0.961 246 D HN 0.364 nan 8.370 nan 0.000 0.460 247 A N 0.412 123.270 122.820 0.063 0.000 1.902 247 A HA -0.128 4.192 4.320 0.000 0.000 0.217 247 A C 2.513 180.176 177.584 0.133 0.000 1.181 247 A CA 1.224 53.313 52.037 0.086 0.000 0.623 247 A CB -0.711 18.297 19.000 0.015 0.000 0.818 247 A HN 0.150 nan 8.150 nan 0.000 0.443 248 V N 0.110 120.066 119.914 0.070 0.000 2.343 248 V HA -0.229 3.891 4.120 0.000 0.000 0.247 248 V C 2.599 178.728 176.094 0.057 0.000 1.051 248 V CA 2.370 64.697 62.300 0.045 0.000 1.036 248 V CB -0.698 31.125 31.823 -0.001 0.000 0.654 248 V HN 0.709 nan 8.190 nan 0.000 0.451 249 E N -0.146 120.101 120.200 0.080 0.000 2.110 249 E HA -0.258 4.092 4.350 0.000 0.000 0.193 249 E C 2.030 178.686 176.600 0.094 0.000 0.988 249 E CA 1.577 58.015 56.400 0.064 0.000 0.804 249 E CB -0.534 29.211 29.700 0.076 0.000 0.745 249 E HN 0.670 nan 8.360 nan 0.000 0.458 250 Y N -0.150 120.212 120.300 0.103 0.000 2.224 250 Y HA -0.180 4.370 4.550 0.000 0.000 0.289 250 Y C 2.039 177.967 175.900 0.047 0.000 1.146 250 Y CA 1.640 59.855 58.100 0.192 0.000 1.182 250 Y CB -0.149 38.481 38.460 0.283 0.000 0.983 250 Y HN -0.039 nan 8.280 nan 0.000 0.524 251 V N 0.924 120.915 119.914 0.127 0.000 2.343 251 V HA -0.327 3.793 4.120 0.000 0.000 0.247 251 V C 2.171 178.158 176.094 -0.178 0.000 1.051 251 V CA 2.304 64.597 62.300 -0.011 0.000 1.036 251 V CB -0.564 31.279 31.823 0.033 0.000 0.654 251 V HN 0.387 nan 8.190 nan 0.000 0.451 252 K N -0.499 119.797 120.400 -0.172 0.000 2.057 252 K HA -0.201 4.119 4.320 0.000 0.000 0.207 252 K C 2.259 178.615 176.600 -0.406 0.000 1.049 252 K CA 1.244 57.392 56.287 -0.233 0.000 0.931 252 K CB -0.298 32.099 32.500 -0.171 0.000 0.714 252 K HN 0.381 nan 8.250 nan 0.000 0.440 253 Q N 0.989 120.477 119.800 -0.520 0.000 2.084 253 Q HA -0.126 4.214 4.340 0.000 0.000 0.202 253 Q C 2.317 177.552 176.000 -1.274 0.000 0.978 253 Q CA 1.088 56.356 55.803 -0.891 0.000 0.844 253 Q CB -0.225 27.950 28.738 -0.938 0.000 0.898 253 Q HN 0.273 nan 8.270 nan 0.000 0.426 254 L N 0.225 120.796 121.223 -1.087 0.000 2.046 254 L HA -0.142 4.198 4.340 0.000 0.000 0.208 254 L C 2.197 178.680 176.870 -0.646 0.000 1.077 254 L CA 1.359 55.690 54.840 -0.848 0.000 0.747 254 L CB -0.483 41.197 42.059 -0.632 0.000 0.896 254 L HN 0.144 nan 8.230 nan 0.000 0.432 255 L N -0.364 120.545 121.223 -0.523 0.000 2.131 255 L HA -0.203 4.137 4.340 0.000 0.000 0.210 255 L C 2.758 179.365 176.870 -0.438 0.000 1.092 255 L CA 1.397 56.004 54.840 -0.389 0.000 0.759 255 L CB -0.446 41.447 42.059 -0.277 0.000 0.903 255 L HN 0.620 nan 8.230 nan 0.000 0.435 256 S N -1.239 114.096 115.700 -0.609 0.000 2.400 256 S HA -0.256 4.214 4.470 0.000 0.000 0.232 256 S C 1.880 176.176 174.600 -0.506 0.000 1.025 256 S CA 1.126 58.974 58.200 -0.586 0.000 0.993 256 S CB -0.702 62.029 63.200 -0.782 0.000 0.808 256 S HN 0.383 nan 8.310 nan 0.000 0.478 257 Y N 1.889 121.904 120.300 -0.474 0.000 2.263 257 Y HA 0.354 4.904 4.550 0.000 0.000 0.292 257 Y C 1.315 177.012 175.900 -0.338 0.000 1.130 257 Y CA -0.374 57.452 58.100 -0.457 0.000 1.179 257 Y CB -0.549 37.474 38.460 -0.729 0.000 0.998 257 Y HN 0.240 nan 8.280 nan 0.000 0.532 258 L N 1.981 123.070 121.223 -0.224 0.000 2.421 258 L HA 0.279 4.619 4.340 0.000 0.000 0.263 258 L C -2.113 174.627 176.870 -0.216 0.000 1.122 258 L CA -2.170 52.505 54.840 -0.275 0.000 0.804 258 L CB 0.358 42.125 42.059 -0.487 0.000 1.150 258 L HN -0.142 nan 8.230 nan 0.000 0.457 259 P HA 0.170 nan 4.420 nan 0.000 0.279 259 P C -0.149 177.096 177.300 -0.092 0.000 1.252 259 P CA -0.465 62.588 63.100 -0.079 0.000 0.811 259 P CB 1.316 33.038 31.700 0.037 0.000 1.035 260 S N 1.149 116.828 115.700 -0.035 0.000 2.368 260 S HA -0.116 4.354 4.470 0.000 0.000 0.225 260 S C 0.814 175.434 174.600 0.032 0.000 1.030 260 S CA 1.466 59.654 58.200 -0.019 0.000 0.999 260 S CB -0.694 62.503 63.200 -0.006 0.000 0.844 260 S HN 0.767 nan 8.310 nan 0.000 0.459 261 N N -0.233 118.515 118.700 0.079 0.000 2.927 261 N HA 0.230 4.970 4.740 0.000 0.000 0.248 261 N C -0.082 175.536 175.510 0.179 0.000 1.443 261 N CA -0.622 52.515 53.050 0.145 0.000 0.870 261 N CB 0.288 38.825 38.487 0.083 0.000 1.444 261 N HN -0.070 nan 8.380 nan 0.000 0.519 262 N N -0.028 118.777 118.700 0.176 0.000 2.205 262 N HA -0.124 4.616 4.740 0.000 0.000 0.186 262 N C -0.031 175.539 175.510 0.100 0.000 1.015 262 N CA 1.102 54.238 53.050 0.143 0.000 0.862 262 N CB -0.258 38.257 38.487 0.047 0.000 0.986 262 N HN 0.486 nan 8.380 nan 0.000 0.429 263 L N 2.259 123.526 121.223 0.073 0.000 2.480 263 L HA 0.290 4.630 4.340 0.000 0.000 0.243 263 L C -0.004 176.896 176.870 0.051 0.000 1.315 263 L CA 0.138 55.009 54.840 0.051 0.000 1.231 263 L CB -1.564 40.515 42.059 0.033 0.000 1.444 263 L HN 0.197 nan 8.230 nan 0.000 0.409 264 S N -1.132 114.606 115.700 0.064 0.000 2.615 264 S HA 0.581 5.051 4.470 0.000 0.000 0.269 264 S C -0.560 174.075 174.600 0.058 0.000 1.161 264 S CA -1.126 57.104 58.200 0.049 0.000 0.817 264 S CB 2.093 65.315 63.200 0.038 0.000 1.131 264 S HN 0.131 nan 8.310 nan 0.000 0.467 265 E N 2.100 122.328 120.200 0.046 0.000 2.392 265 E HA 0.392 4.742 4.350 0.000 0.000 0.259 265 E C -2.390 174.232 176.600 0.037 0.000 1.108 265 E CA -1.954 54.474 56.400 0.048 0.000 0.916 265 E CB -0.085 29.639 29.700 0.040 0.000 0.989 265 E HN 0.407 nan 8.360 nan 0.000 0.432 266 P HA 0.101 nan 4.420 nan 0.000 0.268 266 P C -2.456 174.831 177.300 -0.022 0.000 1.204 266 P CA -1.133 61.971 63.100 0.007 0.000 0.768 266 P CB -0.332 31.386 31.700 0.029 0.000 0.842 267 P HA 0.187 nan 4.420 nan 0.000 0.267 267 P C -0.811 176.407 177.300 -0.137 0.000 1.205 267 P CA 0.274 63.324 63.100 -0.084 0.000 0.765 267 P CB 0.465 32.085 31.700 -0.133 0.000 0.828 268 A N 3.654 126.428 122.820 -0.076 0.000 2.475 268 A HA 0.681 5.001 4.320 0.000 0.000 0.301 268 A C -1.292 176.353 177.584 0.102 0.000 1.059 268 A CA -0.554 51.436 52.037 -0.079 0.000 0.710 268 A CB 1.046 20.050 19.000 0.006 0.000 1.288 268 A HN 0.278 nan 8.150 nan 0.000 0.408 269 F N 1.677 121.626 119.950 -0.001 0.000 2.361 269 F HA 0.446 4.973 4.527 0.000 0.000 0.364 269 F C -2.240 173.565 175.800 0.008 0.000 1.120 269 F CA -2.846 55.152 58.000 -0.003 0.000 1.102 269 F CB 1.048 40.042 39.000 -0.011 0.000 1.183 269 F HN 0.198 nan 8.300 nan 0.000 0.476 270 P HA 0.090 nan 4.420 nan 0.000 0.267 270 P C -0.679 176.681 177.300 0.101 0.000 1.209 270 P CA 0.098 63.266 63.100 0.113 0.000 0.763 270 P CB 0.366 32.112 31.700 0.077 0.000 0.816 271 E N 1.566 121.819 120.200 0.089 0.000 2.293 271 E HA 0.376 4.726 4.350 0.000 0.000 0.270 271 E C -0.822 175.811 176.600 0.056 0.000 0.879 271 E CA -1.075 55.367 56.400 0.069 0.000 0.756 271 E CB 1.261 31.008 29.700 0.079 0.000 1.208 271 E HN 0.143 nan 8.360 nan 0.000 0.428 272 E N 1.343 121.569 120.200 0.043 0.000 2.384 272 E HA 0.246 4.596 4.350 0.000 0.000 0.266 272 E C -0.204 176.421 176.600 0.042 0.000 1.012 272 E CA -0.016 56.406 56.400 0.038 0.000 0.901 272 E CB 1.174 30.892 29.700 0.029 0.000 0.967 272 E HN 0.616 nan 8.360 nan 0.000 0.435 273 A N 2.681 125.527 122.820 0.042 0.000 2.287 273 A HA 0.179 4.499 4.320 0.000 0.000 0.273 273 A C -0.004 177.603 177.584 0.040 0.000 1.091 273 A CA -0.486 51.579 52.037 0.046 0.000 0.817 273 A CB 0.440 19.469 19.000 0.048 0.000 1.069 273 A HN 0.503 nan 8.150 nan 0.000 0.492 274 D N 0.681 121.107 120.400 0.044 0.000 2.280 274 D HA 0.302 4.942 4.640 0.000 0.000 0.243 274 D C 1.423 177.746 176.300 0.039 0.000 1.129 274 D CA -0.360 53.663 54.000 0.038 0.000 0.848 274 D CB 0.590 41.415 40.800 0.041 0.000 1.107 274 D HN 0.399 nan 8.370 nan 0.000 0.471 275 L N 2.239 123.481 121.223 0.030 0.000 2.046 275 L HA 0.158 4.498 4.340 0.000 0.000 0.208 275 L C 1.164 178.053 176.870 0.032 0.000 1.077 275 L CA 0.519 55.375 54.840 0.027 0.000 0.747 275 L CB -0.920 41.150 42.059 0.018 0.000 0.896 275 L HN 0.279 nan 8.230 nan 0.000 0.432 276 A N 0.732 123.569 122.820 0.030 0.000 2.445 276 A HA 0.378 4.698 4.320 0.000 0.000 0.242 276 A C 0.238 177.841 177.584 0.031 0.000 1.075 276 A CA -0.302 51.752 52.037 0.027 0.000 0.777 276 A CB 0.343 19.357 19.000 0.023 0.000 1.013 276 A HN 0.104 nan 8.150 nan 0.000 0.493 277 V N 3.760 123.689 119.914 0.025 0.000 2.326 277 V HA 0.161 4.281 4.120 0.000 0.000 0.249 277 V C 1.149 177.256 176.094 0.021 0.000 1.114 277 V CA 0.410 62.723 62.300 0.023 0.000 1.028 277 V CB -0.584 31.244 31.823 0.010 0.000 1.170 277 V HN 1.066 nan 8.190 nan 0.000 0.494 278 T N -0.135 114.440 114.554 0.034 0.000 2.860 278 T HA 0.110 4.460 4.350 0.000 0.000 0.299 278 T C 1.001 175.723 174.700 0.036 0.000 1.045 278 T CA -0.193 61.930 62.100 0.038 0.000 1.071 278 T CB 1.128 70.028 68.868 0.053 0.000 0.985 278 T HN 0.536 nan 8.240 nan 0.000 0.537 279 D N 0.356 120.778 120.400 0.036 0.000 2.117 279 D HA -0.171 4.469 4.640 0.000 0.000 0.197 279 D C 2.193 178.518 176.300 0.041 0.000 0.987 279 D CA 1.486 55.503 54.000 0.029 0.000 0.829 279 D CB 0.032 40.849 40.800 0.028 0.000 0.961 279 D HN 0.813 nan 8.370 nan 0.000 0.460 280 E N 0.417 120.660 120.200 0.072 0.000 2.153 280 E HA -0.235 4.115 4.350 0.000 0.000 0.194 280 E C 1.340 178.005 176.600 0.108 0.000 0.988 280 E CA 1.095 57.570 56.400 0.124 0.000 0.811 280 E CB -0.413 29.386 29.700 0.165 0.000 0.746 280 E HN 0.321 nan 8.360 nan 0.000 0.466 281 D N 1.574 122.014 120.400 0.067 0.000 2.149 281 D HA -0.064 4.576 4.640 0.000 0.000 0.198 281 D C 1.903 178.163 176.300 -0.066 0.000 0.990 281 D CA 1.977 55.994 54.000 0.028 0.000 0.839 281 D CB -0.263 40.552 40.800 0.025 0.000 0.948 281 D HN 0.347 nan 8.370 nan 0.000 0.460 282 A N 0.678 123.462 122.820 -0.060 0.000 2.067 282 A HA -0.155 4.165 4.320 0.000 0.000 0.219 282 A C 1.850 179.351 177.584 -0.138 0.000 1.158 282 A CA 0.988 52.962 52.037 -0.105 0.000 0.661 282 A CB -0.476 18.483 19.000 -0.069 0.000 0.801 282 A HN 0.256 nan 8.150 nan 0.000 0.452 283 E N -0.458 119.676 120.200 -0.111 0.000 2.396 283 E HA -0.171 4.179 4.350 0.000 0.000 0.200 283 E C 1.355 177.842 176.600 -0.189 0.000 1.023 283 E CA 0.609 56.958 56.400 -0.086 0.000 0.857 283 E CB -0.265 29.459 29.700 0.039 0.000 0.775 283 E HN 0.514 nan 8.360 nan 0.000 0.525 284 L N 1.118 122.164 121.223 -0.295 0.000 2.093 284 L HA -0.180 4.160 4.340 0.000 0.000 0.208 284 L C 1.783 178.439 176.870 -0.356 0.000 1.085 284 L CA 1.543 56.176 54.840 -0.345 0.000 0.755 284 L CB -0.283 41.527 42.059 -0.414 0.000 0.904 284 L HN 0.007 nan 8.230 nan 0.000 0.435 285 D N -1.102 119.108 120.400 -0.315 0.000 2.178 285 D HA -0.139 4.501 4.640 0.000 0.000 0.201 285 D C 2.050 178.221 176.300 -0.215 0.000 0.980 285 D CA 1.837 55.654 54.000 -0.305 0.000 0.842 285 D CB -0.083 40.588 40.800 -0.216 0.000 0.948 285 D HN 0.448 nan 8.370 nan 0.000 0.472 286 T N -1.938 112.517 114.554 -0.165 0.000 3.069 286 T HA 0.070 4.420 4.350 0.000 0.000 0.252 286 T C 1.831 176.462 174.700 -0.114 0.000 1.053 286 T CA -0.297 61.734 62.100 -0.114 0.000 0.964 286 T CB 0.025 68.847 68.868 -0.076 0.000 1.005 286 T HN -0.047 nan 8.240 nan 0.000 0.532 287 I N 2.465 122.946 120.570 -0.148 0.000 2.226 287 I HA 0.057 4.227 4.170 0.000 0.000 0.245 287 I C 0.582 176.500 176.117 -0.332 0.000 1.100 287 I CA 0.464 61.657 61.300 -0.179 0.000 1.374 287 I CB -0.289 37.610 38.000 -0.168 0.000 1.057 287 I HN 0.086 nan 8.210 nan 0.000 0.413 288 V N 4.552 124.244 119.914 -0.370 0.000 2.599 288 V HA 0.112 4.232 4.120 0.000 0.000 0.300 288 V C -1.927 174.090 176.094 -0.129 0.000 1.034 288 V CA -1.002 61.093 62.300 -0.343 0.000 1.115 288 V CB -0.468 31.264 31.823 -0.152 0.000 0.934 288 V HN 0.291 nan 8.190 nan 0.000 0.485 289 P HA 0.296 nan 4.420 nan 0.000 0.281 289 P C -0.147 177.166 177.300 0.022 0.000 1.249 289 P CA -0.496 62.612 63.100 0.013 0.000 0.810 289 P CB 1.270 33.007 31.700 0.062 0.000 1.008 290 D N -0.118 120.292 120.400 0.017 0.000 2.117 290 D HA -0.090 4.550 4.640 0.000 0.000 0.198 290 D C 0.508 176.827 176.300 0.031 0.000 0.982 290 D CA 1.385 55.397 54.000 0.019 0.000 0.828 290 D CB -0.228 40.579 40.800 0.012 0.000 0.967 290 D HN 0.352 nan 8.370 nan 0.000 0.464 291 S N -0.240 115.480 115.700 0.033 0.000 2.617 291 S HA 0.499 4.969 4.470 0.000 0.000 0.269 291 S C 0.867 175.495 174.600 0.047 0.000 1.292 291 S CA -0.439 57.783 58.200 0.037 0.000 1.010 291 S CB 1.730 64.947 63.200 0.028 0.000 0.944 291 S HN 0.240 nan 8.310 nan 0.000 0.536 292 A N 1.206 124.051 122.820 0.042 0.000 2.169 292 A HA 0.116 4.436 4.320 0.000 0.000 0.210 292 A C 1.615 179.213 177.584 0.024 0.000 1.168 292 A CA 0.015 52.079 52.037 0.044 0.000 0.813 292 A CB -0.411 18.613 19.000 0.040 0.000 0.861 292 A HN 0.671 nan 8.150 nan 0.000 0.481 293 N N 0.544 119.254 118.700 0.016 0.000 2.142 293 N HA -0.091 4.649 4.740 0.000 0.000 0.186 293 N C 1.049 176.565 175.510 0.010 0.000 1.023 293 N CA 0.616 53.666 53.050 0.000 0.000 0.852 293 N CB -0.436 38.049 38.487 -0.002 0.000 0.998 293 N HN 0.713 nan 8.380 nan 0.000 0.424 294 Q N 2.119 121.940 119.800 0.034 0.000 2.330 294 Q HA 0.107 4.447 4.340 0.000 0.000 0.279 294 Q C -2.410 173.636 176.000 0.076 0.000 1.024 294 Q CA -1.137 54.696 55.803 0.051 0.000 0.900 294 Q CB 0.739 29.516 28.738 0.066 0.000 1.221 294 Q HN 0.115 nan 8.270 nan 0.000 0.396 295 P HA 0.241 nan 4.420 nan 0.000 0.299 295 P C -1.897 175.460 177.300 0.094 0.000 1.323 295 P CA -0.451 62.662 63.100 0.021 0.000 0.896 295 P CB 0.697 32.378 31.700 -0.032 0.000 1.081 296 Y N -1.361 118.954 120.300 0.024 0.000 2.524 296 Y HA 0.585 5.135 4.550 0.000 0.000 0.347 296 Y C -0.671 175.252 175.900 0.039 0.000 1.005 296 Y CA -1.396 56.727 58.100 0.038 0.000 1.025 296 Y CB 1.062 39.551 38.460 0.048 0.000 1.275 296 Y HN 0.114 nan 8.280 nan 0.000 0.460 297 D N 3.159 123.662 120.400 0.172 0.000 2.425 297 D HA 0.038 4.678 4.640 0.000 0.000 0.247 297 D C 0.833 177.170 176.300 0.061 0.000 1.147 297 D CA 0.053 54.107 54.000 0.089 0.000 0.879 297 D CB 1.213 42.109 40.800 0.161 0.000 1.179 297 D HN 0.765 nan 8.370 nan 0.000 0.456 298 M N 3.251 122.785 119.600 -0.109 0.000 2.175 298 M HA -0.129 4.351 4.480 0.000 0.000 0.264 298 M C 1.616 177.816 176.300 -0.167 0.000 1.063 298 M CA 1.602 56.783 55.300 -0.199 0.000 1.119 298 M CB -0.638 31.755 32.600 -0.345 0.000 1.377 298 M HN 0.546 nan 8.290 nan 0.000 0.415 299 H N -1.577 117.442 119.070 -0.085 0.000 2.421 299 H HA -0.048 4.508 4.556 0.000 0.000 0.298 299 H C 2.191 177.472 175.328 -0.078 0.000 1.087 299 H CA 1.678 57.666 56.048 -0.100 0.000 1.330 299 H CB -0.094 29.668 29.762 -0.001 0.000 1.388 299 H HN 0.343 nan 8.280 nan 0.000 0.526 300 S N 0.087 115.870 115.700 0.138 0.000 2.382 300 S HA -0.104 4.366 4.470 0.000 0.000 0.228 300 S C 2.496 177.269 174.600 0.288 0.000 1.027 300 S CA 0.960 59.252 58.200 0.152 0.000 0.991 300 S CB -0.150 63.207 63.200 0.263 0.000 0.823 300 S HN 0.137 nan 8.310 nan 0.000 0.469 301 V N 2.233 122.266 119.914 0.199 0.000 2.343 301 V HA -0.166 3.954 4.120 0.000 0.000 0.247 301 V C 2.007 178.051 176.094 -0.083 0.000 1.051 301 V CA 1.540 63.933 62.300 0.155 0.000 1.036 301 V CB -0.792 31.021 31.823 -0.016 0.000 0.654 301 V HN 0.492 nan 8.190 nan 0.000 0.451 302 I N -0.037 120.279 120.570 -0.423 0.000 2.286 302 I HA -0.244 3.926 4.170 0.000 0.000 0.248 302 I C 2.547 178.551 176.117 -0.189 0.000 1.115 302 I CA 1.707 62.692 61.300 -0.526 0.000 1.392 302 I CB -0.497 37.006 38.000 -0.827 0.000 1.065 302 I HN 0.345 nan 8.210 nan 0.000 0.418 303 E N 0.478 120.605 120.200 -0.122 0.000 2.077 303 E HA -0.219 4.131 4.350 0.000 0.000 0.193 303 E C 2.072 178.642 176.600 -0.050 0.000 0.989 303 E CA 1.032 57.386 56.400 -0.077 0.000 0.800 303 E CB -0.009 29.612 29.700 -0.132 0.000 0.746 303 E HN 0.537 nan 8.360 nan 0.000 0.452 304 H N -1.293 117.807 119.070 0.051 0.000 2.560 304 H HA -0.037 4.519 4.556 0.000 0.000 0.283 304 H C 0.838 176.230 175.328 0.107 0.000 1.028 304 H CA 0.721 56.821 56.048 0.086 0.000 1.221 304 H CB 0.529 30.357 29.762 0.110 0.000 1.363 304 H HN 0.075 nan 8.280 nan 0.000 0.594 305 V N 0.867 120.902 119.914 0.201 0.000 3.276 305 V HA 0.127 4.247 4.120 0.000 0.000 0.319 305 V C -0.134 176.064 176.094 0.173 0.000 1.476 305 V CA 0.109 62.535 62.300 0.210 0.000 1.097 305 V CB 0.464 32.464 31.823 0.294 0.000 0.988 305 V HN 0.053 nan 8.190 nan 0.000 0.473 306 L N -0.023 121.282 121.223 0.137 0.000 2.341 306 L HA 0.638 4.978 4.340 0.000 0.000 0.278 306 L C -0.467 176.479 176.870 0.126 0.000 1.005 306 L CA -0.807 54.118 54.840 0.142 0.000 0.818 306 L CB 1.297 43.454 42.059 0.163 0.000 1.259 306 L HN 0.003 nan 8.230 nan 0.000 0.418 307 D N 2.431 122.904 120.400 0.122 0.000 2.488 307 D HA -0.025 4.615 4.640 0.000 0.000 0.238 307 D C 0.143 176.503 176.300 0.100 0.000 1.138 307 D CA 0.678 54.740 54.000 0.103 0.000 0.873 307 D CB 0.898 41.756 40.800 0.097 0.000 1.183 307 D HN 0.641 nan 8.370 nan 0.000 0.458 308 D N 0.805 121.255 120.400 0.084 0.000 2.981 308 D HA -0.208 4.432 4.640 0.000 0.000 0.203 308 D C 0.465 176.811 176.300 0.077 0.000 1.049 308 D CA 1.059 55.104 54.000 0.075 0.000 1.003 308 D CB -1.303 39.543 40.800 0.077 0.000 1.085 308 D HN 0.732 nan 8.370 nan 0.000 0.432 309 A N -0.035 122.832 122.820 0.079 0.000 2.846 309 A HA -0.265 4.055 4.320 0.000 0.000 0.287 309 A C 0.277 177.921 177.584 0.100 0.000 1.469 309 A CA 2.003 54.075 52.037 0.059 0.000 0.757 309 A CB -1.673 17.336 19.000 0.015 0.000 1.033 309 A HN 0.452 nan 8.150 nan 0.000 0.516 310 E N -0.932 119.359 120.200 0.151 0.000 2.176 310 E HA 0.684 5.034 4.350 0.000 0.000 0.267 310 E C -1.062 175.746 176.600 0.346 0.000 0.893 310 E CA -0.756 55.773 56.400 0.215 0.000 0.761 310 E CB 0.699 30.511 29.700 0.186 0.000 1.133 310 E HN 0.614 nan 8.360 nan 0.000 0.409 311 F N 5.329 125.381 119.950 0.170 0.000 2.507 311 F HA 0.427 4.954 4.527 0.000 0.000 0.328 311 F C -1.731 174.244 175.800 0.292 0.000 1.136 311 F CA -1.507 56.614 58.000 0.202 0.000 0.930 311 F CB 0.882 39.975 39.000 0.156 0.000 1.166 311 F HN 0.425 nan 8.300 nan 0.000 0.436 312 F N 6.111 125.957 119.950 -0.173 0.000 2.335 312 F HA 0.309 4.836 4.527 0.000 0.000 0.365 312 F C 0.574 175.943 175.800 -0.718 0.000 1.122 312 F CA -0.352 57.499 58.000 -0.248 0.000 1.151 312 F CB 0.049 39.056 39.000 0.013 0.000 1.282 312 F HN 0.412 nan 8.300 nan 0.000 0.513 313 E N 2.554 122.182 120.200 -0.952 0.000 2.383 313 E HA 0.137 4.487 4.350 0.000 0.000 0.264 313 E C -0.162 176.198 176.600 -0.401 0.000 1.050 313 E CA 0.158 56.074 56.400 -0.807 0.000 0.896 313 E CB 1.171 30.645 29.700 -0.377 0.000 0.982 313 E HN 0.596 nan 8.360 nan 0.000 0.424 314 T N 0.338 114.784 114.554 -0.179 0.000 2.848 314 T HA 0.273 4.623 4.350 0.000 0.000 0.285 314 T C -0.239 174.494 174.700 0.056 0.000 0.995 314 T CA -0.732 61.392 62.100 0.040 0.000 0.970 314 T CB 1.182 70.245 68.868 0.324 0.000 0.976 314 T HN 0.546 nan 8.240 nan 0.000 0.441 315 Q N 0.305 120.175 119.800 0.117 0.000 2.468 315 Q HA -0.127 4.213 4.340 0.000 0.000 0.289 315 Q C -1.972 174.079 176.000 0.086 0.000 1.299 315 Q CA 0.373 56.252 55.803 0.127 0.000 0.838 315 Q CB -1.945 26.897 28.738 0.175 0.000 1.195 315 Q HN 0.594 nan 8.270 nan 0.000 0.456 316 P HA -0.172 nan 4.420 nan 0.000 0.216 316 P C 1.371 178.705 177.300 0.057 0.000 1.150 316 P CA 0.969 64.096 63.100 0.045 0.000 0.837 316 P CB 0.082 31.793 31.700 0.018 0.000 0.786 317 L N -2.809 118.457 121.223 0.071 0.000 2.083 317 L HA -0.088 4.252 4.340 0.000 0.000 0.209 317 L C 1.202 178.145 176.870 0.122 0.000 1.083 317 L CA 0.848 55.737 54.840 0.080 0.000 0.752 317 L CB -0.621 41.481 42.059 0.073 0.000 0.899 317 L HN 0.009 nan 8.230 nan 0.000 0.433 318 F N 0.847 120.773 119.950 -0.040 0.000 2.405 318 F HA 0.534 5.061 4.527 0.000 0.000 0.355 318 F C 0.589 176.342 175.800 -0.078 0.000 1.121 318 F CA -1.055 56.910 58.000 -0.057 0.000 1.112 318 F CB 0.567 39.537 39.000 -0.051 0.000 1.126 318 F HN 0.086 nan 8.300 nan 0.000 0.481 319 A N 6.191 128.622 122.820 -0.649 0.000 2.183 319 A HA -0.166 4.154 4.320 0.000 0.000 0.278 319 A C -2.121 175.265 177.584 -0.330 0.000 1.404 319 A CA 0.237 51.913 52.037 -0.602 0.000 0.737 319 A CB -1.755 16.809 19.000 -0.726 0.000 1.172 319 A HN 0.646 nan 8.150 nan 0.000 0.338 320 P HA -0.141 nan 4.420 nan 0.000 0.223 320 P C 1.517 178.729 177.300 -0.146 0.000 1.144 320 P CA 1.173 64.198 63.100 -0.124 0.000 0.783 320 P CB -0.006 31.661 31.700 -0.056 0.000 0.771 321 N N -0.338 118.214 118.700 -0.247 0.000 2.091 321 N HA -0.147 4.593 4.740 0.000 0.000 0.193 321 N C 0.696 176.123 175.510 -0.138 0.000 1.021 321 N CA 1.170 54.106 53.050 -0.190 0.000 0.862 321 N CB -0.152 38.199 38.487 -0.226 0.000 1.018 321 N HN 0.275 nan 8.380 nan 0.000 0.429 322 I N 0.720 121.201 120.570 -0.148 0.000 2.647 322 I HA 0.260 4.430 4.170 0.000 0.000 0.295 322 I C -0.683 175.361 176.117 -0.121 0.000 1.078 322 I CA -0.814 60.410 61.300 -0.126 0.000 1.048 322 I CB 2.423 40.361 38.000 -0.103 0.000 1.239 322 I HN -0.182 nan 8.210 nan 0.000 0.421 323 L N 4.007 125.150 121.223 -0.133 0.000 2.305 323 L HA 0.605 4.945 4.340 0.000 0.000 0.281 323 L C -0.091 176.737 176.870 -0.070 0.000 1.085 323 L CA -0.434 54.356 54.840 -0.084 0.000 0.813 323 L CB 0.747 42.683 42.059 -0.205 0.000 1.157 323 L HN 0.588 nan 8.230 nan 0.000 0.436 324 T N -0.214 114.269 114.554 -0.118 0.000 2.841 324 T HA 0.840 5.190 4.350 0.000 0.000 0.285 324 T C -0.025 174.434 174.700 -0.402 0.000 0.991 324 T CA -0.531 61.277 62.100 -0.486 0.000 0.966 324 T CB 1.969 70.171 68.868 -1.111 0.000 0.962 324 T HN 0.910 nan 8.240 nan 0.000 0.438 325 G N 1.688 110.469 108.800 -0.031 0.000 2.682 325 G HA2 0.779 4.739 3.960 0.000 0.000 0.303 325 G HA3 0.779 4.739 3.960 0.000 0.000 0.303 325 G C -1.743 173.404 174.900 0.412 0.000 1.341 325 G CA -1.314 43.981 45.100 0.325 0.000 0.784 325 G HN 0.820 nan 8.290 nan 0.000 0.497 326 F N -0.810 119.319 119.950 0.299 0.000 2.588 326 F HA 0.709 5.236 4.527 0.000 0.000 0.314 326 F C 0.314 176.025 175.800 -0.148 0.000 1.134 326 F CA -1.216 56.818 58.000 0.056 0.000 0.961 326 F CB 2.292 41.194 39.000 -0.163 0.000 1.239 326 F HN 0.777 nan 8.300 nan 0.000 0.448 327 G N 1.599 110.550 108.800 0.252 0.000 2.533 327 G HA2 0.686 4.646 3.960 0.000 0.000 0.304 327 G HA3 0.686 4.646 3.960 0.000 0.000 0.304 327 G C -1.624 173.385 174.900 0.182 0.000 1.263 327 G CA -1.279 43.954 45.100 0.222 0.000 0.964 327 G HN 0.634 nan 8.290 nan 0.000 0.479 328 R N 0.173 120.786 120.500 0.188 0.000 2.265 328 R HA 0.455 4.795 4.340 0.000 0.000 0.319 328 R C -0.744 175.635 176.300 0.131 0.000 1.006 328 R CA -0.521 55.667 56.100 0.146 0.000 0.880 328 R CB 1.959 32.333 30.300 0.123 0.000 1.077 328 R HN 0.240 nan 8.270 nan 0.000 0.454 329 V N 3.037 123.022 119.914 0.118 0.000 2.394 329 V HA 0.071 4.191 4.120 0.000 0.000 0.282 329 V C 0.911 177.059 176.094 0.090 0.000 1.031 329 V CA -0.171 62.193 62.300 0.107 0.000 0.881 329 V CB 0.989 32.876 31.823 0.106 0.000 0.982 329 V HN 0.964 nan 8.190 nan 0.000 0.451 330 E N 3.682 123.933 120.200 0.085 0.000 2.586 330 E HA -0.281 4.069 4.350 0.000 0.000 0.259 330 E C 1.157 177.804 176.600 0.078 0.000 1.107 330 E CA 0.747 57.192 56.400 0.076 0.000 0.754 330 E CB -1.146 28.593 29.700 0.066 0.000 1.335 330 E HN 1.538 nan 8.360 nan 0.000 0.411 331 G N -0.410 108.439 108.800 0.083 0.000 2.162 331 G HA2 -0.365 3.595 3.960 0.000 0.000 0.260 331 G HA3 -0.365 3.595 3.960 0.000 0.000 0.260 331 G C 0.106 175.038 174.900 0.053 0.000 0.976 331 G CA 0.588 45.737 45.100 0.082 0.000 0.655 331 G HN 0.323 nan 8.290 nan 0.000 0.533 332 R N 0.522 121.057 120.500 0.058 0.000 2.445 332 R HA 0.480 4.820 4.340 0.000 0.000 0.308 332 R C -2.805 173.536 176.300 0.068 0.000 0.961 332 R CA -2.092 54.038 56.100 0.050 0.000 0.862 332 R CB 1.718 32.052 30.300 0.057 0.000 1.144 332 R HN 0.036 nan 8.270 nan 0.000 0.447 333 P HA 0.058 nan 4.420 nan 0.000 0.268 333 P C -0.756 176.617 177.300 0.121 0.000 1.204 333 P CA -0.021 63.142 63.100 0.104 0.000 0.768 333 P CB 0.822 32.578 31.700 0.093 0.000 0.842 334 V N 2.090 122.093 119.914 0.149 0.000 3.159 334 V HA 0.834 4.954 4.120 0.000 0.000 0.308 334 V C 0.258 176.514 176.094 0.269 0.000 1.190 334 V CA -0.662 61.747 62.300 0.182 0.000 1.037 334 V CB 2.571 34.489 31.823 0.159 0.000 1.060 334 V HN 0.679 nan 8.190 nan 0.000 0.437 335 G N 0.903 109.856 108.800 0.254 0.000 2.571 335 G HA2 0.768 4.728 3.960 0.000 0.000 0.304 335 G HA3 0.768 4.728 3.960 0.000 0.000 0.304 335 G C -1.942 173.136 174.900 0.297 0.000 1.314 335 G CA -0.522 44.742 45.100 0.274 0.000 0.975 335 G HN 0.427 nan 8.290 nan 0.000 0.485 336 I N 1.049 121.846 120.570 0.378 0.000 2.439 336 I HA 0.354 4.524 4.170 0.000 0.000 0.285 336 I C -0.376 175.891 176.117 0.250 0.000 1.021 336 I CA -0.659 60.823 61.300 0.304 0.000 1.091 336 I CB 2.249 40.329 38.000 0.134 0.000 1.242 336 I HN 0.190 nan 8.210 nan 0.000 0.439 337 V N 5.751 125.819 119.914 0.257 0.000 2.357 337 V HA 0.911 5.031 4.120 0.000 0.000 0.284 337 V C 0.020 176.217 176.094 0.173 0.000 1.018 337 V CA -0.493 61.911 62.300 0.173 0.000 0.841 337 V CB 1.180 33.153 31.823 0.250 0.000 0.991 337 V HN 0.804 nan 8.190 nan 0.000 0.437 338 A N 4.132 126.977 122.820 0.042 0.000 2.498 338 A HA 0.757 5.077 4.320 0.000 0.000 0.298 338 A C -0.481 177.053 177.584 -0.082 0.000 1.075 338 A CA -0.922 51.118 52.037 0.005 0.000 0.714 338 A CB 1.192 20.116 19.000 -0.126 0.000 1.299 338 A HN 0.821 nan 8.150 nan 0.000 0.407 339 N N 0.578 119.231 118.700 -0.078 0.000 2.444 339 N HA 0.415 5.155 4.740 0.000 0.000 0.255 339 N C -0.334 175.075 175.510 -0.169 0.000 1.255 339 N CA -0.074 52.908 53.050 -0.113 0.000 0.933 339 N CB 0.434 38.862 38.487 -0.098 0.000 1.143 339 N HN 0.576 nan 8.380 nan 0.000 0.453 340 Q N 1.192 120.899 119.800 -0.156 0.000 2.771 340 Q HA 0.364 4.704 4.340 0.000 0.000 0.247 340 Q C -2.483 173.431 176.000 -0.143 0.000 0.986 340 Q CA -2.133 53.572 55.803 -0.165 0.000 0.713 340 Q CB 1.434 30.105 28.738 -0.112 0.000 1.241 340 Q HN 0.294 nan 8.270 nan 0.000 0.488 341 P HA -0.174 nan 4.420 nan 0.000 0.217 341 P C 1.192 178.432 177.300 -0.100 0.000 1.148 341 P CA 1.222 64.207 63.100 -0.191 0.000 0.828 341 P CB 0.158 31.662 31.700 -0.327 0.000 0.783 342 M N -1.300 118.249 119.600 -0.085 0.000 2.149 342 M HA -0.128 4.352 4.480 0.000 0.000 0.261 342 M C 0.678 176.988 176.300 0.018 0.000 1.064 342 M CA 1.690 56.972 55.300 -0.030 0.000 1.102 342 M CB -0.674 31.929 32.600 0.006 0.000 1.369 342 M HN 0.066 nan 8.290 nan 0.000 0.408 343 Q N -0.033 119.815 119.800 0.080 0.000 2.348 343 Q HA 0.210 4.550 4.340 0.000 0.000 0.265 343 Q C -0.799 175.449 176.000 0.414 0.000 0.998 343 Q CA -0.455 55.509 55.803 0.269 0.000 0.831 343 Q CB 1.099 30.012 28.738 0.293 0.000 1.251 343 Q HN 0.298 nan 8.270 nan 0.000 0.456 344 F N 0.764 120.680 119.950 -0.058 0.000 3.091 344 F HA -0.325 4.202 4.527 0.000 0.000 0.288 344 F C 0.938 176.691 175.800 -0.078 0.000 0.907 344 F CA 0.721 58.685 58.000 -0.061 0.000 1.028 344 F CB -2.530 36.435 39.000 -0.058 0.000 1.022 344 F HN 0.828 nan 8.300 nan 0.000 0.665 345 A N -1.372 121.473 122.820 0.040 0.000 2.832 345 A HA 0.202 4.522 4.320 0.000 0.000 0.280 345 A C 2.088 179.639 177.584 -0.054 0.000 1.464 345 A CA 1.449 53.468 52.037 -0.029 0.000 0.804 345 A CB -1.717 17.255 19.000 -0.047 0.000 1.020 345 A HN 2.656 nan 8.150 nan 0.000 0.563 346 G N -2.543 106.229 108.800 -0.045 0.000 2.283 346 G HA2 -0.153 3.807 3.960 0.000 0.000 0.280 346 G HA3 -0.153 3.807 3.960 0.000 0.000 0.280 346 G C 0.605 175.443 174.900 -0.103 0.000 1.029 346 G CA 0.794 45.841 45.100 -0.088 0.000 0.840 346 G HN 2.053 nan 8.290 nan 0.000 0.505 347 C N -0.292 118.960 119.300 -0.081 0.000 2.422 347 C HA 0.733 5.193 4.460 0.000 0.000 0.364 347 C C 1.383 176.283 174.990 -0.150 0.000 1.251 347 C CA -1.492 57.449 59.018 -0.129 0.000 2.441 347 C CB 0.555 28.250 27.740 -0.075 0.000 2.393 347 C HN 0.480 nan 8.230 nan 0.000 0.606 348 L N 2.759 123.825 121.223 -0.262 0.000 2.439 348 L HA 0.392 4.732 4.340 0.000 0.000 0.269 348 L C -0.029 176.905 176.870 0.106 0.000 1.179 348 L CA 0.861 55.624 54.840 -0.128 0.000 0.828 348 L CB 0.303 42.115 42.059 -0.410 0.000 1.106 348 L HN 0.901 nan 8.230 nan 0.000 0.467 349 D N 1.038 121.510 120.400 0.120 0.000 2.671 349 D HA 0.137 4.777 4.640 0.000 0.000 0.273 349 D C 0.450 176.770 176.300 0.034 0.000 1.264 349 D CA -0.728 53.325 54.000 0.088 0.000 0.788 349 D CB 0.712 41.500 40.800 -0.021 0.000 1.324 349 D HN 0.424 nan 8.370 nan 0.000 0.424 350 I N -1.854 118.724 120.570 0.013 0.000 2.286 350 I HA -0.147 4.023 4.170 0.000 0.000 0.248 350 I C 1.986 178.086 176.117 -0.029 0.000 1.115 350 I CA 1.865 63.167 61.300 0.002 0.000 1.392 350 I CB -0.956 37.051 38.000 0.011 0.000 1.065 350 I HN 0.547 nan 8.210 nan 0.000 0.418 351 T N 0.161 114.659 114.554 -0.094 0.000 2.684 351 T HA -0.084 4.266 4.350 0.000 0.000 0.267 351 T C 2.073 176.549 174.700 -0.372 0.000 1.036 351 T CA 1.358 63.303 62.100 -0.258 0.000 1.148 351 T CB -0.733 67.875 68.868 -0.433 0.000 0.863 351 T HN 0.485 nan 8.240 nan 0.000 0.436 352 A N 1.894 124.554 122.820 -0.268 0.000 1.968 352 A HA 0.059 4.379 4.320 0.000 0.000 0.217 352 A C 2.719 180.254 177.584 -0.082 0.000 1.169 352 A CA 1.823 53.735 52.037 -0.209 0.000 0.638 352 A CB -0.938 17.956 19.000 -0.176 0.000 0.812 352 A HN 0.729 nan 8.150 nan 0.000 0.446 353 S N 0.667 116.362 115.700 -0.009 0.000 2.356 353 S HA -0.227 4.243 4.470 0.000 0.000 0.223 353 S C 1.672 176.285 174.600 0.022 0.000 1.032 353 S CA 1.503 59.726 58.200 0.039 0.000 1.005 353 S CB -0.555 62.690 63.200 0.076 0.000 0.867 353 S HN 0.707 nan 8.310 nan 0.000 0.449 354 E N 1.634 121.844 120.200 0.018 0.000 2.110 354 E HA -0.148 4.202 4.350 0.000 0.000 0.193 354 E C 2.133 178.776 176.600 0.071 0.000 0.988 354 E CA 1.149 57.577 56.400 0.047 0.000 0.804 354 E CB -0.169 29.579 29.700 0.081 0.000 0.745 354 E HN 0.660 nan 8.360 nan 0.000 0.458 355 K N 1.107 121.529 120.400 0.037 0.000 2.002 355 K HA -0.152 4.168 4.320 0.000 0.000 0.209 355 K C 2.160 178.791 176.600 0.051 0.000 1.048 355 K CA 1.440 57.765 56.287 0.063 0.000 0.930 355 K CB -0.155 32.270 32.500 -0.124 0.000 0.714 355 K HN 0.088 nan 8.250 nan 0.000 0.438 356 A N 0.974 123.800 122.820 0.010 0.000 1.898 356 A HA 0.002 4.322 4.320 0.000 0.000 0.216 356 A C 2.375 180.001 177.584 0.071 0.000 1.181 356 A CA 1.658 53.722 52.037 0.046 0.000 0.620 356 A CB -0.856 18.155 19.000 0.019 0.000 0.819 356 A HN 0.520 nan 8.150 nan 0.000 0.442 357 A N -0.291 122.545 122.820 0.026 0.000 1.933 357 A HA -0.154 4.166 4.320 0.000 0.000 0.218 357 A C 2.194 179.774 177.584 -0.007 0.000 1.175 357 A CA 1.817 53.843 52.037 -0.018 0.000 0.628 357 A CB -0.454 18.544 19.000 -0.003 0.000 0.814 357 A HN 0.536 nan 8.150 nan 0.000 0.444 358 R N -1.782 118.740 120.500 0.036 0.000 2.096 358 R HA -0.132 4.208 4.340 0.000 0.000 0.235 358 R C 1.832 178.171 176.300 0.066 0.000 1.127 358 R CA 1.715 57.838 56.100 0.037 0.000 0.968 358 R CB -0.474 29.857 30.300 0.052 0.000 0.861 358 R HN 0.466 nan 8.270 nan 0.000 0.440 359 F N 0.062 119.990 119.950 -0.036 0.000 2.134 359 F HA -0.169 4.358 4.527 0.000 0.000 0.299 359 F C 1.957 177.722 175.800 -0.059 0.000 1.097 359 F CA 1.322 59.303 58.000 -0.032 0.000 1.264 359 F CB -0.334 38.649 39.000 -0.029 0.000 1.001 359 F HN -0.179 nan 8.300 nan 0.000 0.479 360 V N 1.091 120.990 119.914 -0.026 0.000 2.343 360 V HA -0.294 3.826 4.120 0.000 0.000 0.247 360 V C 2.519 178.524 176.094 -0.149 0.000 1.051 360 V CA 2.116 64.318 62.300 -0.163 0.000 1.036 360 V CB -0.544 31.026 31.823 -0.421 0.000 0.654 360 V HN 0.277 nan 8.190 nan 0.000 0.451 361 R N -0.371 120.060 120.500 -0.115 0.000 2.075 361 R HA -0.118 4.222 4.340 0.000 0.000 0.232 361 R C 2.273 178.498 176.300 -0.124 0.000 1.126 361 R CA 1.845 57.890 56.100 -0.092 0.000 0.963 361 R CB -1.083 29.177 30.300 -0.066 0.000 0.858 361 R HN 0.484 nan 8.270 nan 0.000 0.435 362 T N 0.966 115.438 114.554 -0.137 0.000 2.788 362 T HA -0.147 4.203 4.350 0.000 0.000 0.268 362 T C 2.153 176.862 174.700 0.014 0.000 1.044 362 T CA 1.265 63.303 62.100 -0.103 0.000 1.139 362 T CB -0.341 68.486 68.868 -0.068 0.000 0.867 362 T HN 0.319 nan 8.240 nan 0.000 0.454 363 C N 1.235 120.480 119.300 -0.092 0.000 2.429 363 C HA -0.090 4.370 4.460 0.000 0.000 0.277 363 C C 2.652 177.663 174.990 0.035 0.000 1.262 363 C CA 0.700 59.716 59.018 -0.003 0.000 1.733 363 C CB -1.018 26.635 27.740 -0.146 0.000 2.010 363 C HN 0.660 nan 8.230 nan 0.000 0.483 364 D N 0.456 120.839 120.400 -0.029 0.000 2.117 364 D HA -0.087 4.553 4.640 0.000 0.000 0.197 364 D C 2.142 178.418 176.300 -0.040 0.000 0.987 364 D CA 1.494 55.486 54.000 -0.013 0.000 0.829 364 D CB -0.099 40.690 40.800 -0.019 0.000 0.961 364 D HN 0.401 nan 8.370 nan 0.000 0.460 365 A N -0.519 122.215 122.820 -0.143 0.000 1.902 365 A HA -0.096 4.224 4.320 0.000 0.000 0.217 365 A C 1.657 179.104 177.584 -0.227 0.000 1.181 365 A CA 0.956 52.831 52.037 -0.270 0.000 0.623 365 A CB -0.833 17.852 19.000 -0.525 0.000 0.818 365 A HN 0.332 nan 8.150 nan 0.000 0.443 366 F N 0.252 120.222 119.950 0.033 0.000 2.797 366 F HA 0.135 4.662 4.527 0.000 0.000 0.302 366 F C 0.448 176.272 175.800 0.040 0.000 1.130 366 F CA -0.000 58.026 58.000 0.043 0.000 1.387 366 F CB -0.264 38.775 39.000 0.065 0.000 1.107 366 F HN 0.348 nan 8.300 nan 0.000 0.577 367 N N -0.385 118.416 118.700 0.168 0.000 2.758 367 N HA -0.161 4.579 4.740 0.000 0.000 0.248 367 N C -0.871 174.717 175.510 0.129 0.000 1.076 367 N CA 0.401 53.523 53.050 0.121 0.000 0.696 367 N CB -2.123 36.424 38.487 0.100 0.000 0.979 367 N HN 0.068 nan 8.380 nan 0.000 0.550 368 V N 0.174 120.177 119.914 0.149 0.000 2.435 368 V HA 0.436 4.556 4.120 0.000 0.000 0.290 368 V C -1.859 174.301 176.094 0.111 0.000 1.030 368 V CA -1.561 60.824 62.300 0.141 0.000 0.881 368 V CB 1.869 33.808 31.823 0.194 0.000 0.983 368 V HN -0.062 nan 8.190 nan 0.000 0.445 369 P HA 0.180 nan 4.420 nan 0.000 0.271 369 P C -0.775 176.589 177.300 0.107 0.000 1.218 369 P CA -0.067 63.089 63.100 0.092 0.000 0.780 369 P CB 0.646 32.395 31.700 0.081 0.000 0.901 370 V N 4.701 124.679 119.914 0.107 0.000 2.347 370 V HA 0.274 4.394 4.120 0.000 0.000 0.280 370 V C 0.114 176.264 176.094 0.093 0.000 1.021 370 V CA -0.368 62.017 62.300 0.142 0.000 0.847 370 V CB 0.640 32.597 31.823 0.224 0.000 0.990 370 V HN 0.315 nan 8.190 nan 0.000 0.444 371 L N 4.774 126.055 121.223 0.097 0.000 2.280 371 L HA 0.605 4.945 4.340 0.000 0.000 0.287 371 L C 0.303 177.158 176.870 -0.024 0.000 1.023 371 L CA -0.134 54.683 54.840 -0.038 0.000 0.819 371 L CB 1.675 43.727 42.059 -0.012 0.000 1.212 371 L HN 0.667 nan 8.230 nan 0.000 0.420 372 T N 2.404 116.845 114.554 -0.189 0.000 2.779 372 T HA 0.652 5.002 4.350 0.000 0.000 0.280 372 T C -0.741 173.799 174.700 -0.267 0.000 0.987 372 T CA -0.363 61.704 62.100 -0.055 0.000 0.966 372 T CB 0.417 69.266 68.868 -0.032 0.000 0.933 372 T HN 0.173 nan 8.240 nan 0.000 0.442 373 F N 3.763 123.648 119.950 -0.107 0.000 2.427 373 F HA 0.609 5.136 4.527 0.000 0.000 0.346 373 F C -0.000 175.704 175.800 -0.159 0.000 1.120 373 F CA -1.325 56.573 58.000 -0.170 0.000 1.033 373 F CB 1.596 40.468 39.000 -0.214 0.000 1.126 373 F HN 0.259 nan 8.300 nan 0.000 0.462 374 V N 2.881 122.783 119.914 -0.019 0.000 2.370 374 V HA 0.330 4.450 4.120 0.000 0.000 0.283 374 V C -0.711 175.364 176.094 -0.031 0.000 1.023 374 V CA -0.408 61.876 62.300 -0.026 0.000 0.857 374 V CB 1.490 33.298 31.823 -0.026 0.000 0.985 374 V HN 0.710 nan 8.190 nan 0.000 0.443 375 D N 4.330 124.708 120.400 -0.037 0.000 2.552 375 D HA 0.217 4.857 4.640 0.000 0.000 0.285 375 D C -1.212 175.058 176.300 -0.049 0.000 1.206 375 D CA 0.003 53.986 54.000 -0.028 0.000 0.826 375 D CB 1.588 42.350 40.800 -0.064 0.000 1.179 375 D HN 0.333 nan 8.370 nan 0.000 0.508 376 V N 3.648 123.549 119.914 -0.022 0.000 2.448 376 V HA 0.475 4.595 4.120 0.000 0.000 0.295 376 V C -1.894 174.146 176.094 -0.089 0.000 1.025 376 V CA -2.163 60.087 62.300 -0.085 0.000 0.859 376 V CB 2.369 34.117 31.823 -0.124 0.000 0.988 376 V HN 0.096 nan 8.190 nan 0.000 0.431 377 P HA 0.247 nan 4.420 nan 0.000 0.215 377 P C 0.579 177.779 177.300 -0.166 0.000 1.157 377 P CA 1.587 64.523 63.100 -0.274 0.000 0.859 377 P CB 0.137 31.690 31.700 -0.244 0.000 0.786 378 G N -2.680 105.996 108.800 -0.207 0.000 2.367 378 G HA2 0.304 4.264 3.960 0.000 0.000 0.272 378 G HA3 0.304 4.264 3.960 0.000 0.000 0.272 378 G C -1.791 172.876 174.900 -0.389 0.000 1.271 378 G CA -0.798 44.175 45.100 -0.211 0.000 0.893 378 G HN -0.078 nan 8.290 nan 0.000 0.485 379 F N 0.319 120.285 119.950 0.028 0.000 2.436 379 F HA 0.604 5.131 4.527 0.000 0.000 0.340 379 F C 0.716 176.525 175.800 0.016 0.000 1.113 379 F CA -0.681 57.331 58.000 0.020 0.000 1.022 379 F CB 1.866 40.880 39.000 0.024 0.000 1.128 379 F HN 0.342 nan 8.300 nan 0.000 0.466 380 L N 5.868 127.190 121.223 0.165 0.000 2.706 380 L HA -0.034 4.306 4.340 0.000 0.000 0.282 380 L C -2.090 174.849 176.870 0.115 0.000 1.219 380 L CA -0.513 54.394 54.840 0.112 0.000 0.935 380 L CB -0.265 41.853 42.059 0.098 0.000 1.204 380 L HN 0.358 nan 8.230 nan 0.000 0.491 381 P HA 0.548 nan 4.420 nan 0.000 0.274 381 P C -0.428 176.902 177.300 0.049 0.000 1.246 381 P CA -0.163 62.976 63.100 0.065 0.000 0.795 381 P CB 1.178 32.907 31.700 0.049 0.000 1.006 382 G N -1.024 107.799 108.800 0.037 0.000 2.428 382 G HA2 -0.035 3.925 3.960 0.000 0.000 0.681 382 G HA3 -0.035 3.925 3.960 0.000 0.000 0.681 382 G C 0.361 175.269 174.900 0.013 0.000 1.340 382 G CA -0.582 44.529 45.100 0.019 0.000 0.915 382 G HN 0.251 nan 8.290 nan 0.000 0.645 383 V N 1.025 120.925 119.914 -0.024 0.000 2.407 383 V HA -0.127 3.993 4.120 0.000 0.000 0.248 383 V C 2.853 178.927 176.094 -0.034 0.000 1.055 383 V CA 2.965 65.227 62.300 -0.064 0.000 1.049 383 V CB -0.674 31.012 31.823 -0.229 0.000 0.662 383 V HN 0.965 nan 8.190 nan 0.000 0.455 384 D N -0.297 120.087 120.400 -0.028 0.000 2.149 384 D HA -0.244 4.396 4.640 0.000 0.000 0.198 384 D C 1.959 178.282 176.300 0.038 0.000 0.990 384 D CA 1.273 55.273 54.000 0.000 0.000 0.839 384 D CB -0.511 40.292 40.800 0.005 0.000 0.948 384 D HN 0.389 nan 8.370 nan 0.000 0.460 385 Q N 0.571 120.395 119.800 0.040 0.000 2.020 385 Q HA -0.120 4.220 4.340 0.000 0.000 0.202 385 Q C 2.262 178.292 176.000 0.050 0.000 0.982 385 Q CA 1.398 57.228 55.803 0.044 0.000 0.838 385 Q CB -0.307 28.460 28.738 0.048 0.000 0.899 385 Q HN 0.606 nan 8.270 nan 0.000 0.423 386 E N -0.334 119.910 120.200 0.073 0.000 2.046 386 E HA -0.163 4.187 4.350 0.000 0.000 0.190 386 E C 2.000 178.667 176.600 0.112 0.000 0.982 386 E CA 0.738 57.189 56.400 0.084 0.000 0.800 386 E CB -0.149 29.610 29.700 0.100 0.000 0.756 386 E HN 0.412 nan 8.360 nan 0.000 0.449 387 H N 0.735 119.802 119.070 -0.004 0.000 2.421 387 H HA -0.090 4.466 4.556 0.000 0.000 0.298 387 H C 1.463 176.789 175.328 -0.004 0.000 1.087 387 H CA 1.448 57.493 56.048 -0.004 0.000 1.330 387 H CB -0.151 29.611 29.762 -0.000 0.000 1.388 387 H HN 0.111 nan 8.280 nan 0.000 0.526 388 D N -0.752 119.720 120.400 0.120 0.000 2.178 388 D HA 0.021 4.661 4.640 0.000 0.000 0.201 388 D C 0.797 177.113 176.300 0.026 0.000 0.980 388 D CA 1.492 55.528 54.000 0.061 0.000 0.842 388 D CB -0.066 40.763 40.800 0.049 0.000 0.948 388 D HN 0.531 nan 8.370 nan 0.000 0.472 389 G N 0.233 109.042 108.800 0.014 0.000 3.026 389 G HA2 -0.217 3.743 3.960 0.000 0.000 0.252 389 G HA3 -0.217 3.743 3.960 0.000 0.000 0.252 389 G C 0.407 175.298 174.900 -0.015 0.000 1.070 389 G CA 0.018 45.112 45.100 -0.009 0.000 1.183 389 G HN 0.281 nan 8.290 nan 0.000 0.571 390 I N 0.455 121.010 120.570 -0.025 0.000 3.603 390 I HA 0.217 4.387 4.170 0.000 0.000 0.297 390 I C 2.129 178.186 176.117 -0.100 0.000 1.269 390 I CA 0.357 61.623 61.300 -0.055 0.000 1.361 390 I CB 0.034 37.999 38.000 -0.058 0.000 1.063 390 I HN 0.403 nan 8.210 nan 0.000 0.448 391 I N 1.344 121.867 120.570 -0.078 0.000 2.252 391 I HA -0.202 3.968 4.170 0.000 0.000 0.245 391 I C 2.354 178.436 176.117 -0.058 0.000 1.102 391 I CA 1.642 62.895 61.300 -0.078 0.000 1.385 391 I CB -0.796 37.170 38.000 -0.057 0.000 1.064 391 I HN 0.300 nan 8.210 nan 0.000 0.414 392 R N -0.276 120.198 120.500 -0.043 0.000 2.334 392 R HA 0.269 4.609 4.340 0.000 0.000 0.212 392 R C 1.913 178.196 176.300 -0.029 0.000 0.897 392 R CA 0.124 56.205 56.100 -0.033 0.000 1.056 392 R CB -0.109 30.173 30.300 -0.030 0.000 1.046 392 R HN 0.178 nan 8.270 nan 0.000 0.513 393 R N 0.528 121.012 120.500 -0.027 0.000 2.123 393 R HA 0.173 4.513 4.340 0.000 0.000 0.209 393 R C 2.274 178.569 176.300 -0.009 0.000 1.078 393 R CA 0.913 57.005 56.100 -0.014 0.000 1.028 393 R CB -0.116 30.182 30.300 -0.003 0.000 0.939 393 R HN 0.332 nan 8.270 nan 0.000 0.463 394 G N 1.127 109.909 108.800 -0.030 0.000 2.418 394 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 394 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 394 G C 1.547 176.450 174.900 0.005 0.000 1.158 394 G CA 0.786 45.871 45.100 -0.026 0.000 0.771 394 G HN 0.363 nan 8.290 nan 0.000 0.545 395 A N 0.884 123.699 122.820 -0.009 0.000 2.032 395 A HA -0.068 4.252 4.320 0.000 0.000 0.221 395 A C 2.265 179.895 177.584 0.077 0.000 1.165 395 A CA 1.942 54.001 52.037 0.036 0.000 0.645 395 A CB -0.341 18.678 19.000 0.033 0.000 0.807 395 A HN 0.419 nan 8.150 nan 0.000 0.453 396 K N -1.034 119.392 120.400 0.043 0.000 2.103 396 K HA -0.160 4.160 4.320 0.000 0.000 0.207 396 K C 1.832 178.475 176.600 0.072 0.000 1.048 396 K CA 1.385 57.694 56.287 0.036 0.000 0.930 396 K CB -0.398 32.102 32.500 -0.000 0.000 0.716 396 K HN 0.407 nan 8.250 nan 0.000 0.444 397 L N 1.557 122.821 121.223 0.068 0.000 2.046 397 L HA -0.134 4.206 4.340 0.000 0.000 0.208 397 L C 2.022 178.965 176.870 0.121 0.000 1.077 397 L CA 1.455 56.328 54.840 0.054 0.000 0.747 397 L CB -0.255 41.865 42.059 0.102 0.000 0.896 397 L HN 0.128 nan 8.230 nan 0.000 0.432 398 I N -1.811 118.858 120.570 0.164 0.000 2.226 398 I HA -0.342 3.828 4.170 0.000 0.000 0.245 398 I C 2.303 178.525 176.117 0.175 0.000 1.100 398 I CA 1.436 62.845 61.300 0.181 0.000 1.374 398 I CB -0.330 37.753 38.000 0.138 0.000 1.057 398 I HN 0.220 nan 8.210 nan 0.000 0.413 399 F N 1.322 121.299 119.950 0.044 0.000 2.134 399 F HA -0.249 4.278 4.527 0.000 0.000 0.299 399 F C 2.510 178.317 175.800 0.011 0.000 1.097 399 F CA 1.421 59.438 58.000 0.028 0.000 1.264 399 F CB -0.096 38.909 39.000 0.009 0.000 1.001 399 F HN 0.012 nan 8.300 nan 0.000 0.479 400 A N -0.499 122.460 122.820 0.232 0.000 1.902 400 A HA -0.225 4.095 4.320 0.000 0.000 0.217 400 A C 1.906 179.473 177.584 -0.030 0.000 1.181 400 A CA 1.751 53.833 52.037 0.074 0.000 0.623 400 A CB -1.398 17.532 19.000 -0.117 0.000 0.818 400 A HN 0.502 nan 8.150 nan 0.000 0.443 401 Y N -0.132 120.204 120.300 0.060 0.000 2.200 401 Y HA -0.050 4.500 4.550 0.000 0.000 0.290 401 Y C 2.953 178.824 175.900 -0.047 0.000 1.137 401 Y CA 0.537 58.642 58.100 0.007 0.000 1.163 401 Y CB -0.911 37.549 38.460 0.000 0.000 0.988 401 Y HN 0.318 nan 8.280 nan 0.000 0.518 402 A N -0.105 122.745 122.820 0.051 0.000 1.902 402 A HA -0.250 4.070 4.320 0.000 0.000 0.217 402 A C 2.228 179.701 177.584 -0.185 0.000 1.181 402 A CA 1.879 53.846 52.037 -0.116 0.000 0.623 402 A CB -0.735 18.101 19.000 -0.274 0.000 0.818 402 A HN 0.533 nan 8.150 nan 0.000 0.443 403 E N 0.088 120.162 120.200 -0.209 0.000 2.077 403 E HA 0.008 4.358 4.350 0.000 0.000 0.193 403 E C 0.994 177.591 176.600 -0.005 0.000 0.989 403 E CA 0.518 56.857 56.400 -0.102 0.000 0.800 403 E CB -0.201 29.590 29.700 0.152 0.000 0.746 403 E HN 0.559 nan 8.360 nan 0.000 0.452 404 A N 0.641 123.479 122.820 0.031 0.000 2.450 404 A HA 0.096 4.416 4.320 0.000 0.000 0.255 404 A C 0.915 178.522 177.584 0.039 0.000 1.096 404 A CA 0.460 52.525 52.037 0.047 0.000 0.778 404 A CB 0.429 19.478 19.000 0.082 0.000 1.031 404 A HN 0.369 nan 8.150 nan 0.000 0.494 405 T N -0.038 114.534 114.554 0.030 0.000 3.040 405 T HA 0.256 4.606 4.350 0.000 0.000 0.250 405 T C 0.689 175.408 174.700 0.032 0.000 1.058 405 T CA 0.517 62.632 62.100 0.025 0.000 0.988 405 T CB -1.194 67.685 68.868 0.018 0.000 0.993 405 T HN 1.067 nan 8.240 nan 0.000 0.519 406 V N -0.857 119.083 119.914 0.043 0.000 3.319 406 V HA 0.445 4.565 4.120 0.000 0.000 0.303 406 V C -2.706 173.416 176.094 0.047 0.000 1.094 406 V CA -2.499 59.830 62.300 0.049 0.000 1.106 406 V CB -0.419 31.440 31.823 0.060 0.000 1.099 406 V HN -0.030 nan 8.190 nan 0.000 0.476 407 P HA 0.179 nan 4.420 nan 0.000 0.261 407 P C -0.859 176.463 177.300 0.036 0.000 1.183 407 P CA 0.282 63.402 63.100 0.033 0.000 0.761 407 P CB 0.105 31.826 31.700 0.035 0.000 0.785 408 L N 5.827 127.058 121.223 0.013 0.000 2.325 408 L HA 0.493 4.833 4.340 0.000 0.000 0.281 408 L C 0.023 176.859 176.870 -0.057 0.000 1.004 408 L CA -0.235 54.599 54.840 -0.010 0.000 0.823 408 L CB 0.936 42.980 42.059 -0.024 0.000 1.236 408 L HN 0.358 nan 8.230 nan 0.000 0.415 409 I N 2.521 123.043 120.570 -0.080 0.000 2.498 409 I HA 0.402 4.572 4.170 0.000 0.000 0.290 409 I C -0.240 175.753 176.117 -0.208 0.000 1.032 409 I CA -0.255 60.974 61.300 -0.118 0.000 1.073 409 I CB 2.511 40.457 38.000 -0.089 0.000 1.251 409 I HN 0.446 nan 8.210 nan 0.000 0.426 410 T N 5.321 119.744 114.554 -0.218 0.000 2.841 410 T HA 0.570 4.920 4.350 0.000 0.000 0.285 410 T C -0.645 173.906 174.700 -0.249 0.000 0.991 410 T CA -0.474 61.469 62.100 -0.262 0.000 0.966 410 T CB 2.067 70.789 68.868 -0.244 0.000 0.962 410 T HN 0.177 nan 8.240 nan 0.000 0.438 411 V N 4.774 124.493 119.914 -0.324 0.000 2.531 411 V HA 0.534 4.654 4.120 0.000 0.000 0.301 411 V C -0.509 175.443 176.094 -0.236 0.000 1.034 411 V CA -0.837 61.282 62.300 -0.301 0.000 0.865 411 V CB 1.774 33.328 31.823 -0.448 0.000 0.995 411 V HN 0.805 nan 8.190 nan 0.000 0.424 412 I N 4.284 124.742 120.570 -0.187 0.000 2.354 412 I HA 0.245 4.415 4.170 0.000 0.000 0.286 412 I C 1.594 177.570 176.117 -0.235 0.000 1.007 412 I CA -0.247 60.969 61.300 -0.140 0.000 1.167 412 I CB 1.903 39.888 38.000 -0.026 0.000 1.320 412 I HN 0.833 nan 8.210 nan 0.000 0.458 413 T N 3.026 117.366 114.554 -0.356 0.000 2.737 413 T HA -0.102 4.248 4.350 0.000 0.000 0.265 413 T C 1.656 176.393 174.700 0.062 0.000 1.038 413 T CA 1.255 63.148 62.100 -0.345 0.000 1.144 413 T CB 0.262 68.866 68.868 -0.441 0.000 0.866 413 T HN 0.647 nan 8.240 nan 0.000 0.434 414 R N -0.135 120.416 120.500 0.084 0.000 4.142 414 R HA 0.351 4.691 4.340 0.000 0.000 0.135 414 R C -0.469 175.949 176.300 0.197 0.000 0.823 414 R CA -0.281 55.912 56.100 0.155 0.000 0.963 414 R CB 0.784 31.206 30.300 0.203 0.000 1.474 414 R HN 0.008 nan 8.270 nan 0.000 0.460 415 K N 1.131 121.646 120.400 0.193 0.000 2.265 415 K HA 0.504 4.824 4.320 0.000 0.000 0.267 415 K C -1.427 175.392 176.600 0.364 0.000 0.994 415 K CA -0.237 56.261 56.287 0.352 0.000 0.860 415 K CB 1.999 34.499 32.500 0.001 0.000 1.099 415 K HN 0.345 nan 8.250 nan 0.000 0.448 416 A N 5.370 128.532 122.820 0.570 0.000 3.216 416 A HA 0.472 4.792 4.320 0.000 0.000 0.321 416 A C -1.009 176.789 177.584 0.358 0.000 1.042 416 A CA -0.667 51.593 52.037 0.371 0.000 0.838 416 A CB -0.104 19.030 19.000 0.223 0.000 1.136 416 A HN 0.632 nan 8.150 nan 0.000 0.483 417 F N 1.081 121.044 119.950 0.021 0.000 2.469 417 F HA 0.668 5.195 4.527 0.000 0.000 0.332 417 F C 1.120 176.954 175.800 0.057 0.000 1.103 417 F CA -0.092 57.918 58.000 0.018 0.000 0.979 417 F CB 2.041 41.048 39.000 0.012 0.000 1.137 417 F HN 0.869 nan 8.300 nan 0.000 0.463 418 G N 1.403 110.340 108.800 0.228 0.000 2.828 418 G HA2 -0.118 3.842 3.960 0.000 0.000 0.463 418 G HA3 -0.118 3.842 3.960 0.000 0.000 0.463 418 G C 0.844 175.900 174.900 0.261 0.000 1.394 418 G CA -0.503 44.725 45.100 0.214 0.000 0.862 418 G HN 1.185 nan 8.290 nan 0.000 0.540 419 G N -0.342 108.625 108.800 0.280 0.000 2.527 419 G HA2 0.259 4.219 3.960 0.000 0.000 0.219 419 G HA3 0.259 4.219 3.960 0.000 0.000 0.219 419 G C 1.990 177.096 174.900 0.344 0.000 1.117 419 G CA 2.444 47.713 45.100 0.282 0.000 0.759 419 G HN 2.001 nan 8.290 nan 0.000 0.556 420 A N 0.285 123.308 122.820 0.337 0.000 2.019 420 A HA -0.063 4.257 4.320 0.000 0.000 0.219 420 A C 2.057 179.726 177.584 0.142 0.000 1.164 420 A CA 1.587 53.699 52.037 0.126 0.000 0.644 420 A CB -0.550 18.254 19.000 -0.326 0.000 0.805 420 A HN 0.612 nan 8.150 nan 0.000 0.449 421 Y N 0.616 120.966 120.300 0.083 0.000 2.224 421 Y HA -0.073 4.477 4.550 0.000 0.000 0.289 421 Y C 2.431 178.382 175.900 0.085 0.000 1.146 421 Y CA 1.147 59.283 58.100 0.061 0.000 1.182 421 Y CB -0.568 37.915 38.460 0.039 0.000 0.983 421 Y HN 0.278 nan 8.280 nan 0.000 0.524 422 A N -0.029 122.671 122.820 -0.201 0.000 1.902 422 A HA -0.137 4.183 4.320 0.000 0.000 0.217 422 A C 2.351 179.879 177.584 -0.093 0.000 1.181 422 A CA 2.005 53.916 52.037 -0.210 0.000 0.623 422 A CB -1.350 17.656 19.000 0.010 0.000 0.818 422 A HN 0.371 nan 8.150 nan 0.000 0.443 423 V N 0.217 120.160 119.914 0.049 0.000 2.407 423 V HA -0.167 3.953 4.120 0.000 0.000 0.248 423 V C 1.246 177.408 176.094 0.113 0.000 1.055 423 V CA 1.205 63.593 62.300 0.146 0.000 1.049 423 V CB -0.579 31.413 31.823 0.280 0.000 0.662 423 V HN 0.503 nan 8.190 nan 0.000 0.455 424 M N 0.814 120.416 119.600 0.004 0.000 3.436 424 M HA 0.286 4.766 4.480 0.000 0.000 0.240 424 M C 1.234 177.384 176.300 -0.249 0.000 1.469 424 M CA 0.363 55.641 55.300 -0.037 0.000 1.622 424 M CB -1.016 31.567 32.600 -0.028 0.000 1.098 424 M HN 0.417 nan 8.290 nan 0.000 0.568 425 G N 2.199 110.682 108.800 -0.527 0.000 2.356 425 G HA2 -0.241 3.719 3.960 0.000 0.000 0.296 425 G HA3 -0.241 3.719 3.960 0.000 0.000 0.296 425 G C 0.382 174.996 174.900 -0.477 0.000 1.022 425 G CA 0.605 45.190 45.100 -0.857 0.000 0.961 425 G HN 0.750 nan 8.290 nan 0.000 0.510 426 S N -1.368 114.097 115.700 -0.391 0.000 2.614 426 S HA 0.475 4.945 4.470 0.000 0.000 0.265 426 S C 1.467 175.879 174.600 -0.314 0.000 1.303 426 S CA 0.294 58.253 58.200 -0.402 0.000 1.000 426 S CB 1.799 64.674 63.200 -0.541 0.000 0.935 426 S HN 0.573 nan 8.310 nan 0.000 0.551 427 K N 0.270 120.459 120.400 -0.351 0.000 2.152 427 K HA -0.188 4.132 4.320 0.000 0.000 0.206 427 K C 1.703 178.204 176.600 -0.166 0.000 1.048 427 K CA 1.599 57.739 56.287 -0.245 0.000 0.933 427 K CB -0.347 32.014 32.500 -0.231 0.000 0.721 427 K HN 0.751 nan 8.250 nan 0.000 0.447 428 H N 0.113 119.170 119.070 -0.021 0.000 2.353 428 H HA -0.123 4.433 4.556 0.000 0.000 0.300 428 H C 1.921 177.231 175.328 -0.031 0.000 1.090 428 H CA 1.221 57.276 56.048 0.012 0.000 1.327 428 H CB -0.155 29.627 29.762 0.033 0.000 1.383 428 H HN 0.150 nan 8.280 nan 0.000 0.508 429 L N -0.159 121.084 121.223 0.033 0.000 2.362 429 L HA 0.000 4.340 4.340 0.000 0.000 0.219 429 L C 1.688 178.551 176.870 -0.013 0.000 1.134 429 L CA 1.632 56.476 54.840 0.007 0.000 0.807 429 L CB -0.442 41.601 42.059 -0.027 0.000 0.927 429 L HN 0.610 nan 8.230 nan 0.000 0.447 430 G N -2.631 106.150 108.800 -0.033 0.000 2.183 430 G HA2 -0.110 3.850 3.960 0.000 0.000 0.168 430 G HA3 -0.110 3.850 3.960 0.000 0.000 0.168 430 G C 0.467 175.336 174.900 -0.052 0.000 1.008 430 G CA -0.098 44.980 45.100 -0.036 0.000 0.677 430 G HN 0.633 nan 8.290 nan 0.000 0.498 431 A N 0.532 123.295 122.820 -0.095 0.000 2.477 431 A HA 0.535 4.855 4.320 0.000 0.000 0.246 431 A C 1.247 178.780 177.584 -0.084 0.000 1.078 431 A CA 0.799 52.770 52.037 -0.110 0.000 0.770 431 A CB 0.315 19.198 19.000 -0.195 0.000 1.011 431 A HN 0.208 nan 8.150 nan 0.000 0.494 432 D N 1.058 121.422 120.400 -0.060 0.000 2.103 432 D HA -0.024 4.616 4.640 0.000 0.000 0.199 432 D C 0.086 176.364 176.300 -0.038 0.000 0.978 432 D CA 1.425 55.401 54.000 -0.040 0.000 0.829 432 D CB 0.095 40.882 40.800 -0.022 0.000 0.981 432 D HN 0.411 nan 8.370 nan 0.000 0.464 433 L N 0.846 122.042 121.223 -0.045 0.000 2.356 433 L HA 0.278 4.618 4.340 0.000 0.000 0.277 433 L C -1.134 175.699 176.870 -0.061 0.000 0.996 433 L CA -0.458 54.363 54.840 -0.032 0.000 0.822 433 L CB 1.975 44.032 42.059 -0.003 0.000 1.256 433 L HN -0.280 nan 8.230 nan 0.000 0.413 434 N N 4.560 123.230 118.700 -0.050 0.000 2.417 434 N HA 0.641 5.381 4.740 0.000 0.000 0.274 434 N C -1.551 173.939 175.510 -0.034 0.000 0.987 434 N CA -0.518 52.493 53.050 -0.064 0.000 0.912 434 N CB 1.449 39.900 38.487 -0.060 0.000 1.177 434 N HN 0.183 nan 8.380 nan 0.000 0.490 435 L N 1.653 122.847 121.223 -0.048 0.000 2.341 435 L HA 0.793 5.133 4.340 0.000 0.000 0.278 435 L C -0.228 176.639 176.870 -0.005 0.000 1.005 435 L CA -1.255 53.574 54.840 -0.018 0.000 0.818 435 L CB 0.957 43.015 42.059 -0.002 0.000 1.259 435 L HN 0.563 nan 8.230 nan 0.000 0.418 436 A N 2.552 125.397 122.820 0.042 0.000 2.343 436 A HA 0.719 5.039 4.320 0.000 0.000 0.316 436 A C -1.215 176.490 177.584 0.202 0.000 1.104 436 A CA -0.509 51.567 52.037 0.065 0.000 0.768 436 A CB 0.720 19.729 19.000 0.014 0.000 1.213 436 A HN 0.547 nan 8.150 nan 0.000 0.456 437 W N 2.486 123.749 121.300 -0.062 0.000 2.126 437 W HA 0.384 5.044 4.660 0.000 0.000 0.346 437 W C -1.871 174.583 176.519 -0.108 0.000 1.279 437 W CA -1.462 55.841 57.345 -0.070 0.000 1.259 437 W CB -0.153 29.285 29.460 -0.036 0.000 1.133 437 W HN 0.510 nan 8.180 nan 0.000 0.592 438 P HA -0.150 nan 4.420 nan 0.000 0.218 438 P C 1.486 178.768 177.300 -0.029 0.000 1.148 438 P CA 2.446 65.507 63.100 -0.064 0.000 0.822 438 P CB 0.108 31.762 31.700 -0.078 0.000 0.784 439 T N -0.545 114.061 114.554 0.087 0.000 2.788 439 T HA -0.035 4.315 4.350 0.000 0.000 0.268 439 T C 1.069 175.824 174.700 0.092 0.000 1.044 439 T CA 0.982 63.145 62.100 0.106 0.000 1.139 439 T CB -0.769 68.214 68.868 0.192 0.000 0.867 439 T HN 0.117 nan 8.240 nan 0.000 0.454 440 A N 1.619 124.498 122.820 0.099 0.000 2.540 440 A HA 0.271 4.591 4.320 0.000 0.000 0.239 440 A C 0.063 177.639 177.584 -0.015 0.000 1.061 440 A CA 0.031 52.103 52.037 0.059 0.000 0.758 440 A CB 0.054 19.076 19.000 0.035 0.000 0.991 440 A HN 0.491 nan 8.150 nan 0.000 0.502 441 Q N 0.990 120.797 119.800 0.012 0.000 2.333 441 Q HA 0.597 4.937 4.340 0.000 0.000 0.265 441 Q C -1.176 174.603 176.000 -0.368 0.000 0.989 441 Q CA 0.080 55.795 55.803 -0.145 0.000 0.842 441 Q CB 2.001 30.762 28.738 0.039 0.000 1.262 441 Q HN 0.703 nan 8.270 nan 0.000 0.451 442 I N 1.973 122.276 120.570 -0.445 0.000 2.389 442 I HA 0.798 4.968 4.170 0.000 0.000 0.288 442 I C -0.562 175.165 176.117 -0.650 0.000 0.999 442 I CA -0.695 60.268 61.300 -0.562 0.000 1.129 442 I CB 1.662 39.357 38.000 -0.509 0.000 1.288 442 I HN 0.593 nan 8.210 nan 0.000 0.444 443 A N 4.790 127.183 122.820 -0.713 0.000 2.572 443 A HA 0.589 4.909 4.320 0.000 0.000 0.295 443 A C 0.300 177.712 177.584 -0.288 0.000 1.072 443 A CA -0.484 51.210 52.037 -0.571 0.000 0.691 443 A CB 1.503 19.917 19.000 -0.977 0.000 1.291 443 A HN 0.416 nan 8.150 nan 0.000 0.404 444 V N 0.929 120.771 119.914 -0.121 0.000 2.307 444 V HA 0.005 4.125 4.120 0.000 0.000 0.245 444 V C 0.987 177.142 176.094 0.101 0.000 1.045 444 V CA 2.621 64.923 62.300 0.003 0.000 1.024 444 V CB -0.725 31.113 31.823 0.026 0.000 0.651 444 V HN 0.946 nan 8.190 nan 0.000 0.449 445 M N -1.802 117.893 119.600 0.159 0.000 2.643 445 M HA 0.641 5.121 4.480 0.000 0.000 0.276 445 M C -0.362 176.147 176.300 0.348 0.000 1.200 445 M CA -0.396 55.043 55.300 0.231 0.000 0.863 445 M CB 1.643 34.313 32.600 0.117 0.000 1.711 445 M HN 0.059 nan 8.290 nan 0.000 0.492 446 G N 0.648 109.650 108.800 0.337 0.000 2.527 446 G HA2 0.500 4.460 3.960 0.000 0.000 0.248 446 G HA3 0.500 4.460 3.960 0.000 0.000 0.248 446 G C 0.726 175.757 174.900 0.218 0.000 1.231 446 G CA -0.184 45.125 45.100 0.348 0.000 0.838 446 G HN 1.130 nan 8.290 nan 0.000 0.570 447 A N 0.571 123.542 122.820 0.252 0.000 1.978 447 A HA -0.152 4.168 4.320 0.000 0.000 0.220 447 A C 2.256 179.849 177.584 0.014 0.000 1.170 447 A CA 2.279 54.424 52.037 0.180 0.000 0.636 447 A CB -0.434 18.719 19.000 0.254 0.000 0.810 447 A HN 0.650 nan 8.150 nan 0.000 0.448 448 Q N -0.100 119.726 119.800 0.043 0.000 2.050 448 Q HA -0.028 4.312 4.340 0.000 0.000 0.202 448 Q C 1.997 177.989 176.000 -0.013 0.000 0.980 448 Q CA 2.339 58.149 55.803 0.012 0.000 0.840 448 Q CB -1.084 27.665 28.738 0.019 0.000 0.898 448 Q HN 0.456 nan 8.270 nan 0.000 0.424 449 G N -0.146 108.650 108.800 -0.007 0.000 2.422 449 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 449 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 449 G C 1.479 176.338 174.900 -0.068 0.000 1.146 449 G CA 0.973 46.062 45.100 -0.019 0.000 0.769 449 G HN 0.533 nan 8.290 nan 0.000 0.547 450 A N 0.637 123.383 122.820 -0.124 0.000 1.877 450 A HA 0.027 4.347 4.320 0.000 0.000 0.216 450 A C 2.690 180.061 177.584 -0.355 0.000 1.186 450 A CA 2.501 54.361 52.037 -0.295 0.000 0.620 450 A CB -0.832 17.836 19.000 -0.554 0.000 0.822 450 A HN 0.714 nan 8.150 nan 0.000 0.443 451 V N -0.701 119.058 119.914 -0.260 0.000 2.343 451 V HA -0.280 3.840 4.120 0.000 0.000 0.247 451 V C 2.073 178.146 176.094 -0.034 0.000 1.051 451 V CA 2.129 64.395 62.300 -0.057 0.000 1.036 451 V CB -1.265 30.583 31.823 0.042 0.000 0.654 451 V HN 0.506 nan 8.190 nan 0.000 0.451 452 N N 0.736 119.405 118.700 -0.053 0.000 2.058 452 N HA -0.069 4.671 4.740 0.000 0.000 0.191 452 N C 1.864 177.351 175.510 -0.039 0.000 1.037 452 N CA 2.228 55.265 53.050 -0.021 0.000 0.848 452 N CB -0.220 38.254 38.487 -0.021 0.000 1.021 452 N HN 0.503 nan 8.380 nan 0.000 0.422 453 I N 1.293 121.819 120.570 -0.075 0.000 2.202 453 I HA -0.198 3.972 4.170 0.000 0.000 0.242 453 I C 2.397 178.440 176.117 -0.123 0.000 1.091 453 I CA 0.729 61.981 61.300 -0.080 0.000 1.368 453 I CB -0.229 37.727 38.000 -0.074 0.000 1.058 453 I HN 0.059 nan 8.210 nan 0.000 0.410 454 L N -0.275 120.812 121.223 -0.226 0.000 2.046 454 L HA -0.192 4.148 4.340 0.000 0.000 0.208 454 L C 1.766 178.374 176.870 -0.437 0.000 1.077 454 L CA 1.249 55.862 54.840 -0.379 0.000 0.747 454 L CB -0.383 41.321 42.059 -0.591 0.000 0.896 454 L HN 0.422 nan 8.230 nan 0.000 0.432 455 H N -1.823 117.216 119.070 -0.052 0.000 2.505 455 H HA 0.106 4.662 4.556 0.000 0.000 0.286 455 H C 1.621 176.935 175.328 -0.023 0.000 1.072 455 H CA -0.061 55.969 56.048 -0.031 0.000 1.141 455 H CB 0.282 30.024 29.762 -0.032 0.000 1.550 455 H HN 0.208 nan 8.280 nan 0.000 0.547 456 R N 1.486 122.011 120.500 0.042 0.000 2.105 456 R HA -0.140 4.200 4.340 0.000 0.000 0.239 456 R C 2.190 178.510 176.300 0.032 0.000 1.135 456 R CA 1.260 57.376 56.100 0.027 0.000 0.967 456 R CB 0.101 30.402 30.300 0.001 0.000 0.861 456 R HN -0.032 nan 8.270 nan 0.000 0.442 457 R N -0.177 120.343 120.500 0.032 0.000 2.081 457 R HA -0.029 4.311 4.340 0.000 0.000 0.235 457 R C 1.855 178.174 176.300 0.032 0.000 1.131 457 R CA 2.408 58.525 56.100 0.028 0.000 0.960 457 R CB -0.841 29.474 30.300 0.025 0.000 0.856 457 R HN 0.322 nan 8.270 nan 0.000 0.436 458 T N 1.356 115.941 114.554 0.051 0.000 2.746 458 T HA -0.056 4.294 4.350 0.000 0.000 0.267 458 T C 1.642 176.355 174.700 0.020 0.000 1.039 458 T CA 1.316 63.437 62.100 0.036 0.000 1.142 458 T CB -0.122 68.769 68.868 0.038 0.000 0.866 458 T HN 0.068 nan 8.240 nan 0.000 0.444 459 I N 1.850 122.439 120.570 0.032 0.000 2.286 459 I HA -0.099 4.071 4.170 0.000 0.000 0.248 459 I C 2.902 179.027 176.117 0.012 0.000 1.115 459 I CA 1.000 62.311 61.300 0.018 0.000 1.392 459 I CB -1.688 36.328 38.000 0.027 0.000 1.065 459 I HN 0.183 nan 8.210 nan 0.000 0.418 460 A N 0.905 123.734 122.820 0.015 0.000 1.933 460 A HA -0.206 4.114 4.320 0.000 0.000 0.218 460 A C 1.940 179.528 177.584 0.007 0.000 1.175 460 A CA 1.876 53.919 52.037 0.010 0.000 0.628 460 A CB -0.582 18.424 19.000 0.010 0.000 0.814 460 A HN 0.352 nan 8.150 nan 0.000 0.444 461 D N 0.160 120.564 120.400 0.007 0.000 2.117 461 D HA 0.112 4.752 4.640 0.000 0.000 0.197 461 D C 0.920 177.222 176.300 0.003 0.000 0.987 461 D CA 1.520 55.523 54.000 0.005 0.000 0.829 461 D CB -0.244 40.559 40.800 0.006 0.000 0.961 461 D HN 0.437 nan 8.370 nan 0.000 0.460 462 A N -0.380 122.441 122.820 0.001 0.000 2.331 462 A HA 0.608 4.928 4.320 0.000 0.000 0.320 462 A C 1.101 178.685 177.584 -0.000 0.000 1.138 462 A CA -0.262 51.775 52.037 0.000 0.000 0.790 462 A CB 1.733 20.732 19.000 -0.001 0.000 1.206 462 A HN 0.096 nan 8.150 nan 0.000 0.470 463 G N 0.884 109.684 108.800 -0.000 0.000 3.026 463 G HA2 0.291 4.251 3.960 0.000 0.000 0.208 463 G HA3 0.291 4.251 3.960 0.000 0.000 0.208 463 G C -0.445 174.455 174.900 -0.001 0.000 1.169 463 G CA 0.129 45.229 45.100 0.000 0.000 0.788 463 G HN 0.652 nan 8.290 nan 0.000 0.533 464 D N 0.996 121.395 120.400 -0.001 0.000 2.256 464 D HA 0.343 4.983 4.640 0.000 0.000 0.246 464 D C -0.412 175.887 176.300 -0.002 0.000 1.042 464 D CA -0.402 53.597 54.000 -0.002 0.000 0.841 464 D CB 1.286 42.085 40.800 -0.002 0.000 1.223 464 D HN -0.058 nan 8.370 nan 0.000 0.470 465 D N 1.411 121.810 120.400 -0.002 0.000 2.904 465 D HA -0.182 4.458 4.640 0.000 0.000 0.231 465 D C 0.906 177.204 176.300 -0.003 0.000 1.185 465 D CA 0.712 54.711 54.000 -0.002 0.000 0.783 465 D CB -0.808 39.990 40.800 -0.003 0.000 0.961 465 D HN 0.487 nan 8.370 nan 0.000 0.409 466 A N 1.083 123.902 122.820 -0.002 0.000 1.902 466 A HA -0.194 4.126 4.320 0.000 0.000 0.217 466 A C 1.419 179.002 177.584 -0.002 0.000 1.181 466 A CA 1.013 53.049 52.037 -0.002 0.000 0.623 466 A CB 0.142 19.141 19.000 -0.000 0.000 0.818 466 A HN 0.198 nan 8.150 nan 0.000 0.443 467 E N 0.027 120.227 120.200 -0.001 0.000 2.346 467 E HA 0.464 4.814 4.350 0.000 0.000 0.317 467 E C 0.559 177.158 176.600 -0.001 0.000 1.404 467 E CA 0.573 56.973 56.400 0.000 0.000 1.534 467 E CB -0.157 29.544 29.700 0.002 0.000 1.309 467 E HN 0.528 nan 8.360 nan 0.000 0.499 468 A N 0.229 123.046 122.820 -0.004 0.000 1.791 468 A HA 0.019 4.339 4.320 0.000 0.000 0.177 468 A C 1.900 179.477 177.584 -0.012 0.000 1.851 468 A CA 0.539 52.572 52.037 -0.006 0.000 1.130 468 A CB -0.115 18.881 19.000 -0.005 0.000 0.958 468 A HN 0.303 nan 8.150 nan 0.000 0.637 469 T N -0.030 114.515 114.554 -0.015 0.000 2.684 469 T HA -0.195 4.155 4.350 0.000 0.000 0.267 469 T C 2.079 176.758 174.700 -0.035 0.000 1.036 469 T CA 2.078 64.164 62.100 -0.024 0.000 1.148 469 T CB -0.395 68.459 68.868 -0.023 0.000 0.863 469 T HN 0.421 nan 8.240 nan 0.000 0.436 470 R N 0.406 120.890 120.500 -0.028 0.000 2.120 470 R HA 0.031 4.371 4.340 0.000 0.000 0.234 470 R C 2.509 178.794 176.300 -0.025 0.000 1.123 470 R CA 1.460 57.540 56.100 -0.033 0.000 0.975 470 R CB -0.753 29.540 30.300 -0.012 0.000 0.866 470 R HN 0.451 nan 8.270 nan 0.000 0.446 471 A N 1.696 124.509 122.820 -0.013 0.000 1.940 471 A HA -0.166 4.154 4.320 0.000 0.000 0.219 471 A C 2.273 179.856 177.584 -0.001 0.000 1.176 471 A CA 1.240 53.276 52.037 -0.001 0.000 0.631 471 A CB -0.641 18.360 19.000 0.002 0.000 0.814 471 A HN 0.298 nan 8.150 nan 0.000 0.446 472 R N -0.376 120.115 120.500 -0.015 0.000 2.096 472 R HA -0.036 4.304 4.340 0.000 0.000 0.235 472 R C 1.994 178.277 176.300 -0.030 0.000 1.127 472 R CA 1.152 57.241 56.100 -0.018 0.000 0.968 472 R CB -0.459 29.825 30.300 -0.027 0.000 0.861 472 R HN 0.588 nan 8.270 nan 0.000 0.440 473 L N 0.514 121.694 121.223 -0.072 0.000 2.083 473 L HA -0.196 4.144 4.340 0.000 0.000 0.209 473 L C 2.330 179.198 176.870 -0.004 0.000 1.083 473 L CA 1.267 56.017 54.840 -0.149 0.000 0.752 473 L CB -0.342 41.537 42.059 -0.299 0.000 0.899 473 L HN 0.205 nan 8.230 nan 0.000 0.433 474 I N -0.734 119.860 120.570 0.039 0.000 2.226 474 I HA -0.322 3.848 4.170 0.000 0.000 0.245 474 I C 2.701 178.890 176.117 0.119 0.000 1.100 474 I CA 1.154 62.517 61.300 0.105 0.000 1.374 474 I CB -0.510 37.535 38.000 0.075 0.000 1.057 474 I HN 0.374 nan 8.210 nan 0.000 0.413 475 Q N 1.537 121.379 119.800 0.070 0.000 2.096 475 Q HA -0.278 4.062 4.340 0.000 0.000 0.204 475 Q C 2.041 178.087 176.000 0.076 0.000 0.982 475 Q CA 1.961 57.800 55.803 0.061 0.000 0.850 475 Q CB -0.054 28.705 28.738 0.035 0.000 0.901 475 Q HN 0.582 nan 8.270 nan 0.000 0.422 476 E N -0.811 119.435 120.200 0.077 0.000 2.047 476 E HA -0.192 4.158 4.350 0.000 0.000 0.191 476 E C 1.825 178.502 176.600 0.128 0.000 0.987 476 E CA 1.216 57.664 56.400 0.080 0.000 0.799 476 E CB -0.195 29.538 29.700 0.055 0.000 0.752 476 E HN 0.432 nan 8.360 nan 0.000 0.449 477 Y N 1.902 122.236 120.300 0.056 0.000 2.200 477 Y HA -0.203 4.347 4.550 0.000 0.000 0.290 477 Y C 2.271 178.200 175.900 0.050 0.000 1.137 477 Y CA 2.007 60.151 58.100 0.073 0.000 1.163 477 Y CB 0.006 38.537 38.460 0.118 0.000 0.988 477 Y HN 0.070 nan 8.280 nan 0.000 0.518 478 E N -0.579 119.730 120.200 0.182 0.000 2.072 478 E HA -0.218 4.132 4.350 0.000 0.000 0.191 478 E C 1.492 178.099 176.600 0.012 0.000 0.985 478 E CA 1.630 58.086 56.400 0.093 0.000 0.801 478 E CB -0.456 29.337 29.700 0.155 0.000 0.750 478 E HN 0.366 nan 8.360 nan 0.000 0.452 479 D N 1.072 121.491 120.400 0.031 0.000 2.097 479 D HA -0.078 4.562 4.640 0.000 0.000 0.195 479 D C 2.013 178.314 176.300 0.001 0.000 0.989 479 D CA 1.864 55.879 54.000 0.025 0.000 0.827 479 D CB -0.369 40.451 40.800 0.033 0.000 0.966 479 D HN 0.366 nan 8.370 nan 0.000 0.456 480 A N -0.123 122.674 122.820 -0.038 0.000 1.858 480 A HA -0.112 4.208 4.320 0.000 0.000 0.216 480 A C 1.985 179.478 177.584 -0.151 0.000 1.190 480 A CA 1.168 53.159 52.037 -0.077 0.000 0.617 480 A CB -0.376 18.577 19.000 -0.078 0.000 0.827 480 A HN 0.188 nan 8.150 nan 0.000 0.443 481 L N -1.579 119.446 121.223 -0.331 0.000 2.388 481 L HA 0.268 4.608 4.340 0.000 0.000 0.209 481 L C 0.096 176.770 176.870 -0.328 0.000 1.061 481 L CA 0.607 55.176 54.840 -0.451 0.000 0.834 481 L CB -0.546 40.911 42.059 -1.004 0.000 1.029 481 L HN 0.191 nan 8.230 nan 0.000 0.473 482 L N 2.103 123.179 121.223 -0.246 0.000 2.391 482 L HA 0.260 4.600 4.340 0.000 0.000 0.249 482 L C -0.364 176.429 176.870 -0.129 0.000 1.308 482 L CA -0.017 54.712 54.840 -0.185 0.000 1.209 482 L CB -1.770 40.279 42.059 -0.015 0.000 1.401 482 L HN 0.395 nan 8.230 nan 0.000 0.416 483 N N -0.335 118.260 118.700 -0.175 0.000 2.598 483 N HA 0.457 5.197 4.740 0.000 0.000 0.263 483 N C -3.159 172.193 175.510 -0.263 0.000 1.254 483 N CA -1.701 51.222 53.050 -0.211 0.000 0.863 483 N CB 1.611 39.990 38.487 -0.181 0.000 1.586 483 N HN -0.163 nan 8.380 nan 0.000 0.491 484 P HA 0.202 nan 4.420 nan 0.000 0.231 484 P C -0.794 176.353 177.300 -0.256 0.000 1.811 484 P CA 0.114 63.070 63.100 -0.240 0.000 1.051 484 P CB -0.324 31.265 31.700 -0.184 0.000 1.951 485 Y N -0.003 120.259 120.300 -0.063 0.000 2.701 485 Y HA 0.025 4.575 4.550 0.000 0.000 0.275 485 Y C 2.432 178.309 175.900 -0.039 0.000 1.133 485 Y CA 0.678 58.752 58.100 -0.044 0.000 1.241 485 Y CB -0.717 37.713 38.460 -0.050 0.000 1.389 485 Y HN 0.032 nan 8.280 nan 0.000 0.486 486 T N 0.467 115.079 114.554 0.097 0.000 2.746 486 T HA -0.184 4.166 4.350 0.000 0.000 0.267 486 T C 2.184 176.913 174.700 0.049 0.000 1.039 486 T CA 1.479 63.596 62.100 0.027 0.000 1.142 486 T CB -0.582 68.247 68.868 -0.064 0.000 0.866 486 T HN 0.324 nan 8.240 nan 0.000 0.444 487 A N 1.632 124.461 122.820 0.014 0.000 1.877 487 A HA 0.143 4.463 4.320 0.000 0.000 0.216 487 A C 2.685 180.406 177.584 0.228 0.000 1.186 487 A CA 1.853 53.951 52.037 0.102 0.000 0.620 487 A CB -1.176 17.838 19.000 0.023 0.000 0.822 487 A HN 0.521 nan 8.150 nan 0.000 0.443 488 A N -0.214 122.688 122.820 0.136 0.000 1.933 488 A HA -0.162 4.158 4.320 0.000 0.000 0.218 488 A C 1.888 179.536 177.584 0.105 0.000 1.175 488 A CA 1.615 53.722 52.037 0.116 0.000 0.628 488 A CB -0.532 18.536 19.000 0.112 0.000 0.814 488 A HN 0.657 nan 8.150 nan 0.000 0.444 489 E N -0.507 119.759 120.200 0.111 0.000 2.058 489 E HA -0.195 4.155 4.350 0.000 0.000 0.194 489 E C 2.183 178.832 176.600 0.081 0.000 0.997 489 E CA 1.020 57.467 56.400 0.078 0.000 0.801 489 E CB -0.190 29.552 29.700 0.070 0.000 0.746 489 E HN 0.320 nan 8.360 nan 0.000 0.450 490 R N -0.584 120.013 120.500 0.162 0.000 2.152 490 R HA -0.065 4.275 4.340 0.000 0.000 0.232 490 R C 1.730 177.971 176.300 -0.099 0.000 1.117 490 R CA 1.071 57.254 56.100 0.138 0.000 0.981 490 R CB -0.506 30.220 30.300 0.711 0.000 0.870 490 R HN 0.450 nan 8.270 nan 0.000 0.451 491 G N -0.392 108.407 108.800 -0.001 0.000 2.176 491 G HA2 -0.333 3.627 3.960 0.000 0.000 0.253 491 G HA3 -0.333 3.627 3.960 0.000 0.000 0.253 491 G C 0.669 175.518 174.900 -0.085 0.000 0.979 491 G CA 0.466 45.530 45.100 -0.059 0.000 0.641 491 G HN 0.366 nan 8.290 nan 0.000 0.530 492 Y N 0.405 120.717 120.300 0.019 0.000 2.207 492 Y HA 0.064 4.614 4.550 0.000 0.000 0.287 492 Y C 2.131 178.004 175.900 -0.045 0.000 1.156 492 Y CA 1.625 59.715 58.100 -0.017 0.000 1.182 492 Y CB -0.256 38.241 38.460 0.061 0.000 0.979 492 Y HN 0.626 nan 8.280 nan 0.000 0.521 493 V N -2.095 117.904 119.914 0.142 0.000 2.394 493 V HA 0.230 4.351 4.120 0.000 0.000 0.282 493 V C 0.518 176.631 176.094 0.031 0.000 1.031 493 V CA -1.148 61.191 62.300 0.064 0.000 0.881 493 V CB 1.644 33.503 31.823 0.060 0.000 0.982 493 V HN 0.143 nan 8.190 nan 0.000 0.451 494 D N 3.546 123.952 120.400 0.010 0.000 2.123 494 D HA 0.071 4.711 4.640 0.000 0.000 0.196 494 D C 0.794 177.108 176.300 0.023 0.000 0.992 494 D CA 2.335 56.343 54.000 0.013 0.000 0.833 494 D CB 0.504 41.313 40.800 0.016 0.000 0.954 494 D HN 0.956 nan 8.370 nan 0.000 0.455 495 A N -0.467 122.361 122.820 0.013 0.000 2.610 495 A HA 0.483 4.803 4.320 0.000 0.000 0.291 495 A C -1.375 176.201 177.584 -0.013 0.000 1.086 495 A CA -0.605 51.431 52.037 -0.000 0.000 0.677 495 A CB 1.670 20.657 19.000 -0.021 0.000 1.278 495 A HN -0.107 nan 8.150 nan 0.000 0.414 496 V N 2.232 122.139 119.914 -0.012 0.000 2.347 496 V HA 0.541 4.661 4.120 0.000 0.000 0.280 496 V C -0.223 175.838 176.094 -0.055 0.000 1.021 496 V CA -0.120 62.171 62.300 -0.015 0.000 0.847 496 V CB 0.539 32.366 31.823 0.005 0.000 0.990 496 V HN 0.753 nan 8.190 nan 0.000 0.444 497 I N 1.994 122.521 120.570 -0.073 0.000 2.689 497 I HA 0.696 4.866 4.170 0.000 0.000 0.299 497 I C -0.229 175.790 176.117 -0.163 0.000 1.059 497 I CA -1.089 60.124 61.300 -0.146 0.000 1.055 497 I CB 2.012 39.841 38.000 -0.286 0.000 1.243 497 I HN 0.488 nan 8.210 nan 0.000 0.425 498 M N 5.024 124.504 119.600 -0.200 0.000 2.245 498 M HA 0.282 4.762 4.480 0.000 0.000 0.330 498 M C -1.831 174.162 176.300 -0.512 0.000 1.098 498 M CA -0.919 54.195 55.300 -0.309 0.000 1.172 498 M CB 0.775 33.246 32.600 -0.215 0.000 1.467 498 M HN 0.427 nan 8.290 nan 0.000 0.454 499 P HA -0.143 nan 4.420 nan 0.000 0.215 499 P C 1.155 178.091 177.300 -0.606 0.000 1.153 499 P CA 1.840 64.097 63.100 -1.406 0.000 0.853 499 P CB -0.140 30.729 31.700 -1.385 0.000 0.788 500 S N -0.933 114.541 115.700 -0.376 0.000 2.382 500 S HA -0.150 4.320 4.470 0.000 0.000 0.228 500 S C 1.414 175.971 174.600 -0.071 0.000 1.027 500 S CA 1.366 59.455 58.200 -0.186 0.000 0.991 500 S CB -1.381 61.735 63.200 -0.141 0.000 0.823 500 S HN 0.049 nan 8.310 nan 0.000 0.469 501 D N 1.370 121.728 120.400 -0.070 0.000 2.348 501 D HA 0.136 4.776 4.640 0.000 0.000 0.248 501 D C 1.088 177.447 176.300 0.098 0.000 1.142 501 D CA 0.405 54.422 54.000 0.028 0.000 0.904 501 D CB -0.331 40.488 40.800 0.031 0.000 0.901 501 D HN 0.455 nan 8.370 nan 0.000 0.523 502 T N -0.394 114.233 114.554 0.122 0.000 2.942 502 T HA -0.080 4.270 4.350 0.000 0.000 0.265 502 T C 1.916 176.756 174.700 0.234 0.000 1.062 502 T CA 0.367 62.623 62.100 0.259 0.000 1.139 502 T CB 0.395 69.557 68.868 0.491 0.000 0.883 502 T HN 0.201 nan 8.240 nan 0.000 0.468 503 R N 1.339 121.956 120.500 0.195 0.000 2.070 503 R HA -0.105 4.235 4.340 0.000 0.000 0.233 503 R C 2.504 178.890 176.300 0.143 0.000 1.137 503 R CA 1.445 57.649 56.100 0.174 0.000 0.945 503 R CB -0.031 30.361 30.300 0.153 0.000 0.845 503 R HN 0.398 nan 8.270 nan 0.000 0.430 504 R N -1.109 119.468 120.500 0.129 0.000 2.075 504 R HA -0.073 4.267 4.340 0.000 0.000 0.232 504 R C 2.402 178.757 176.300 0.092 0.000 1.126 504 R CA 1.322 57.482 56.100 0.101 0.000 0.963 504 R CB -0.846 29.507 30.300 0.088 0.000 0.858 504 R HN 0.385 nan 8.270 nan 0.000 0.435 505 H N 0.865 119.966 119.070 0.051 0.000 2.353 505 H HA 0.006 4.562 4.556 0.000 0.000 0.300 505 H C 2.184 177.536 175.328 0.039 0.000 1.090 505 H CA 1.788 57.862 56.048 0.043 0.000 1.327 505 H CB 0.099 29.889 29.762 0.047 0.000 1.383 505 H HN 0.165 nan 8.280 nan 0.000 0.508 506 I N 0.029 120.695 120.570 0.160 0.000 2.226 506 I HA -0.237 3.933 4.170 0.000 0.000 0.245 506 I C 2.521 178.676 176.117 0.065 0.000 1.100 506 I CA 0.641 61.996 61.300 0.092 0.000 1.374 506 I CB -0.120 37.937 38.000 0.095 0.000 1.057 506 I HN 0.018 nan 8.210 nan 0.000 0.413 507 V N 0.871 120.827 119.914 0.071 0.000 2.295 507 V HA -0.256 3.864 4.120 0.000 0.000 0.246 507 V C 2.556 178.661 176.094 0.018 0.000 1.049 507 V CA 1.815 64.146 62.300 0.052 0.000 1.024 507 V CB -0.770 31.089 31.823 0.060 0.000 0.648 507 V HN 0.372 nan 8.190 nan 0.000 0.447 508 R N 0.228 120.719 120.500 -0.015 0.000 2.081 508 R HA -0.092 4.248 4.340 0.000 0.000 0.235 508 R C 2.494 178.763 176.300 -0.052 0.000 1.131 508 R CA 1.509 57.576 56.100 -0.055 0.000 0.960 508 R CB -0.892 29.328 30.300 -0.133 0.000 0.856 508 R HN 0.584 nan 8.270 nan 0.000 0.436 509 G N 1.203 109.972 108.800 -0.050 0.000 2.408 509 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 509 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 509 G C 1.481 176.382 174.900 0.002 0.000 1.150 509 G CA 0.223 45.311 45.100 -0.021 0.000 0.776 509 G HN 0.125 nan 8.290 nan 0.000 0.542 510 L N -0.017 121.215 121.223 0.016 0.000 2.079 510 L HA -0.071 4.269 4.340 0.000 0.000 0.210 510 L C 3.191 180.073 176.870 0.021 0.000 1.081 510 L CA 0.830 55.686 54.840 0.026 0.000 0.752 510 L CB -0.151 41.933 42.059 0.042 0.000 0.896 510 L HN 0.127 nan 8.230 nan 0.000 0.433 511 R N -0.442 120.066 120.500 0.014 0.000 2.081 511 R HA -0.147 4.193 4.340 0.000 0.000 0.235 511 R C 2.165 178.470 176.300 0.008 0.000 1.131 511 R CA 1.080 57.187 56.100 0.012 0.000 0.960 511 R CB -0.513 29.789 30.300 0.004 0.000 0.856 511 R HN 0.505 nan 8.270 nan 0.000 0.436 512 Q N 0.656 120.456 119.800 -0.000 0.000 2.079 512 Q HA -0.044 4.296 4.340 0.000 0.000 0.200 512 Q C 2.219 178.223 176.000 0.006 0.000 0.974 512 Q CA 1.068 56.871 55.803 0.000 0.000 0.840 512 Q CB -0.195 28.538 28.738 -0.008 0.000 0.898 512 Q HN 0.367 nan 8.270 nan 0.000 0.430 513 L N 0.606 121.835 121.223 0.009 0.000 2.610 513 L HA 0.006 4.346 4.340 0.000 0.000 0.232 513 L C 2.260 179.142 176.870 0.019 0.000 1.149 513 L CA 0.110 54.957 54.840 0.012 0.000 0.872 513 L CB -0.170 41.896 42.059 0.012 0.000 0.992 513 L HN 0.125 nan 8.230 nan 0.000 0.447 514 R N 0.029 120.542 120.500 0.021 0.000 2.105 514 R HA -0.086 4.254 4.340 0.000 0.000 0.239 514 R C 0.813 177.128 176.300 0.025 0.000 1.135 514 R CA 1.486 57.602 56.100 0.027 0.000 0.967 514 R CB -0.423 29.893 30.300 0.027 0.000 0.861 514 R HN 0.365 nan 8.270 nan 0.000 0.442 515 T N -0.822 113.744 114.554 0.020 0.000 2.770 515 T HA 0.544 4.894 4.350 0.000 0.000 0.283 515 T C -0.620 174.089 174.700 0.015 0.000 0.988 515 T CA -0.902 61.209 62.100 0.018 0.000 0.957 515 T CB 2.272 71.149 68.868 0.016 0.000 0.930 515 T HN -0.001 nan 8.240 nan 0.000 0.443 516 K N 2.334 122.744 120.400 0.016 0.000 2.512 516 K HA 0.716 5.036 4.320 0.000 0.000 0.263 516 K C -1.140 175.468 176.600 0.013 0.000 0.966 516 K CA -1.040 55.256 56.287 0.014 0.000 0.851 516 K CB 1.910 34.420 32.500 0.017 0.000 1.395 516 K HN 0.928 nan 8.250 nan 0.000 0.440 517 R N 1.260 121.765 120.500 0.009 0.000 2.707 517 R HA 0.563 4.903 4.340 0.000 0.000 0.272 517 R C -1.247 175.056 176.300 0.005 0.000 1.011 517 R CA -1.112 54.992 56.100 0.008 0.000 0.893 517 R CB 1.940 32.243 30.300 0.006 0.000 1.233 517 R HN 0.397 nan 8.270 nan 0.000 0.464 518 E N 0.639 120.842 120.200 0.005 0.000 2.372 518 E HA 0.325 4.675 4.350 0.000 0.000 0.279 518 E C -1.667 174.934 176.600 0.002 0.000 0.946 518 E CA -0.715 55.686 56.400 0.002 0.000 0.769 518 E CB 2.478 32.179 29.700 0.003 0.000 1.230 518 E HN 0.552 nan 8.360 nan 0.000 0.442 519 S N 1.981 117.680 115.700 -0.001 0.000 2.561 519 S HA 0.764 5.234 4.470 0.000 0.000 0.303 519 S C -1.523 173.075 174.600 -0.002 0.000 1.110 519 S CA -0.509 57.691 58.200 0.000 0.000 1.034 519 S CB 0.270 63.470 63.200 -0.000 0.000 1.010 519 S HN 0.283 nan 8.310 nan 0.000 0.482 520 L N 4.137 125.360 121.223 0.001 0.000 2.415 520 L HA 0.630 4.970 4.340 0.000 0.000 0.256 520 L C -2.390 174.482 176.870 0.004 0.000 1.010 520 L CA -1.689 53.151 54.840 -0.000 0.000 0.826 520 L CB 0.610 42.667 42.059 -0.002 0.000 1.405 520 L HN 0.455 nan 8.230 nan 0.000 0.410 521 P HA 0.222 nan 4.420 nan 0.000 0.268 521 P C -2.468 174.836 177.300 0.005 0.000 1.204 521 P CA -0.708 62.394 63.100 0.003 0.000 0.768 521 P CB -0.307 31.394 31.700 0.002 0.000 0.842 522 P HA 0.059 nan 4.420 nan 0.000 0.267 522 P C -0.690 176.610 177.300 -0.001 0.000 1.209 522 P CA 0.203 63.306 63.100 0.004 0.000 0.763 522 P CB 0.480 32.180 31.700 0.000 0.000 0.816 523 K N 1.920 122.321 120.400 0.002 0.000 2.464 523 K HA 0.366 4.686 4.320 0.000 0.000 0.253 523 K C 0.416 176.998 176.600 -0.029 0.000 0.933 523 K CA -1.054 55.224 56.287 -0.015 0.000 0.801 523 K CB 2.253 34.753 32.500 0.000 0.000 1.271 523 K HN -0.107 nan 8.250 nan 0.000 0.430 524 K N 0.452 120.796 120.400 -0.094 0.000 2.032 524 K HA -0.156 4.164 4.320 0.000 0.000 0.209 524 K C 0.044 176.632 176.600 -0.019 0.000 1.048 524 K CA 2.263 58.495 56.287 -0.091 0.000 0.927 524 K CB -0.196 32.196 32.500 -0.179 0.000 0.712 524 K HN 0.863 nan 8.250 nan 0.000 0.441 525 H N -4.610 114.470 119.070 0.016 0.000 2.967 525 H HA 0.456 5.012 4.556 0.000 0.000 0.318 525 H C -0.276 175.068 175.328 0.027 0.000 1.375 525 H CA -0.837 55.222 56.048 0.018 0.000 1.132 525 H CB 0.495 30.257 29.762 0.001 0.000 1.848 525 H HN 0.035 nan 8.280 nan 0.000 0.524 526 G N -0.535 108.426 108.800 0.270 0.000 2.606 526 G HA2 0.197 4.157 3.960 0.000 0.000 0.252 526 G HA3 0.197 4.157 3.960 0.000 0.000 0.252 526 G C -0.574 174.408 174.900 0.137 0.000 1.206 526 G CA -0.652 44.573 45.100 0.208 0.000 0.861 526 G HN 0.899 nan 8.290 nan 0.000 0.561 527 N N 0.886 119.586 118.700 0.000 0.000 2.904 527 N HA 0.168 4.908 4.740 0.000 0.000 0.257 527 N C -0.161 175.215 175.510 -0.222 0.000 1.363 527 N CA -0.555 52.468 53.050 -0.045 0.000 0.856 527 N CB 0.437 38.936 38.487 0.021 0.000 1.166 527 N HN 0.414 nan 8.380 nan 0.000 0.499 528 I N 2.303 122.615 120.570 -0.429 0.000 2.752 528 I HA 0.119 4.289 4.170 0.000 0.000 0.287 528 I C -1.921 174.055 176.117 -0.234 0.000 1.188 528 I CA -1.378 59.614 61.300 -0.514 0.000 1.427 528 I CB 0.805 38.476 38.000 -0.548 0.000 1.365 528 I HN 0.342 nan 8.210 nan 0.000 0.585 529 P HA 0.229 nan 4.420 nan 0.000 0.268 529 P C -0.934 176.315 177.300 -0.084 0.000 1.205 529 P CA 0.162 63.210 63.100 -0.087 0.000 0.771 529 P CB 0.595 32.267 31.700 -0.048 0.000 0.858 530 L N 0.000 121.184 121.223 -0.065 0.000 2.949 530 L HA 0.000 4.340 4.340 0.000 0.000 0.249 530 L CA 0.000 54.807 54.840 -0.055 0.000 0.813 530 L CB 0.000 42.021 42.059 -0.064 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502