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 3iav_1_A DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYVVMGSKHL 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 0.000 176.268 176.300 -0.054 0.000 2.045 10 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 10 D CB 0.000 40.784 40.800 -0.027 0.000 0.688 11 I N 2.361 122.843 120.570 -0.148 0.000 2.614 11 I HA -0.133 4.037 4.170 0.000 0.000 0.258 11 I C 1.555 177.548 176.117 -0.208 0.000 1.189 11 I CA 1.684 62.862 61.300 -0.204 0.000 1.462 11 I CB -0.285 37.541 38.000 -0.291 0.000 1.092 11 I HN 0.146 nan 8.210 nan 0.000 0.442 12 H N -0.065 119.000 119.070 -0.009 0.000 2.547 12 H HA 0.179 4.735 4.556 0.000 0.000 0.266 12 H C 0.763 176.086 175.328 -0.008 0.000 0.988 12 H CA 0.831 56.874 56.048 -0.008 0.000 1.147 12 H CB -0.743 29.014 29.762 -0.007 0.000 1.365 12 H HN 0.389 nan 8.280 nan 0.000 0.589 13 T N -3.419 111.174 114.554 0.066 0.000 2.950 13 T HA 0.212 4.562 4.350 0.000 0.000 0.288 13 T C 1.424 176.133 174.700 0.015 0.000 1.035 13 T CA -0.619 61.505 62.100 0.041 0.000 1.028 13 T CB 2.079 70.965 68.868 0.030 0.000 1.109 13 T HN -0.117 nan 8.240 nan 0.000 0.514 14 T N 1.345 115.907 114.554 0.013 0.000 2.746 14 T HA -0.028 4.322 4.350 0.000 0.000 0.267 14 T C 2.360 177.058 174.700 -0.003 0.000 1.039 14 T CA 1.553 63.655 62.100 0.004 0.000 1.142 14 T CB -0.801 68.070 68.868 0.005 0.000 0.866 14 T HN 0.823 nan 8.240 nan 0.000 0.444 15 A N 1.297 124.116 122.820 -0.001 0.000 1.933 15 A HA 0.116 4.436 4.320 0.000 0.000 0.218 15 A C 2.612 180.188 177.584 -0.012 0.000 1.175 15 A CA 1.803 53.837 52.037 -0.005 0.000 0.628 15 A CB -1.269 17.730 19.000 -0.002 0.000 0.814 15 A HN 0.516 nan 8.150 nan 0.000 0.444 16 G N -0.405 108.386 108.800 -0.015 0.000 2.422 16 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 16 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 16 G C 1.641 176.516 174.900 -0.040 0.000 1.140 16 G CA 0.989 46.071 45.100 -0.030 0.000 0.775 16 G HN 0.588 nan 8.290 nan 0.000 0.545 17 K N -0.100 120.279 120.400 -0.035 0.000 2.155 17 K HA 0.156 4.476 4.320 0.000 0.000 0.203 17 K C 2.395 178.972 176.600 -0.039 0.000 1.052 17 K CA 0.442 56.705 56.287 -0.041 0.000 0.948 17 K CB -0.187 32.295 32.500 -0.030 0.000 0.728 17 K HN 0.269 nan 8.250 nan 0.000 0.448 18 L N 0.411 121.618 121.223 -0.026 0.000 2.109 18 L HA -0.097 4.243 4.340 0.000 0.000 0.207 18 L C 2.587 179.443 176.870 -0.024 0.000 1.086 18 L CA 0.946 55.773 54.840 -0.021 0.000 0.760 18 L CB -0.643 41.408 42.059 -0.012 0.000 0.910 18 L HN 0.166 nan 8.230 nan 0.000 0.437 19 A N 0.121 122.927 122.820 -0.024 0.000 1.969 19 A HA -0.270 4.050 4.320 0.000 0.000 0.218 19 A C 1.940 179.505 177.584 -0.032 0.000 1.169 19 A CA 2.012 54.036 52.037 -0.022 0.000 0.635 19 A CB -0.561 18.427 19.000 -0.020 0.000 0.810 19 A HN 0.444 nan 8.150 nan 0.000 0.445 20 D N -0.708 119.664 120.400 -0.048 0.000 2.144 20 D HA -0.134 4.506 4.640 0.000 0.000 0.200 20 D C 1.740 177.986 176.300 -0.091 0.000 0.978 20 D CA 1.156 55.116 54.000 -0.067 0.000 0.833 20 D CB -0.138 40.614 40.800 -0.080 0.000 0.961 20 D HN 0.257 nan 8.370 nan 0.000 0.470 21 L N 0.778 121.950 121.223 -0.084 0.000 2.017 21 L HA -0.042 4.298 4.340 0.000 0.000 0.208 21 L C 2.171 179.016 176.870 -0.041 0.000 1.073 21 L CA 1.653 56.437 54.840 -0.094 0.000 0.745 21 L CB -0.527 41.507 42.059 -0.041 0.000 0.894 21 L HN -0.057 nan 8.230 nan 0.000 0.432 22 R N -0.702 119.789 120.500 -0.015 0.000 2.091 22 R HA -0.209 4.131 4.340 0.000 0.000 0.238 22 R C 2.462 178.770 176.300 0.014 0.000 1.136 22 R CA 1.754 57.859 56.100 0.009 0.000 0.959 22 R CB -0.563 29.741 30.300 0.007 0.000 0.856 22 R HN 0.422 nan 8.270 nan 0.000 0.437 23 R N 1.250 121.746 120.500 -0.007 0.000 2.081 23 R HA -0.130 4.210 4.340 0.000 0.000 0.235 23 R C 2.144 178.449 176.300 0.009 0.000 1.131 23 R CA 1.543 57.647 56.100 0.005 0.000 0.960 23 R CB -0.023 30.272 30.300 -0.008 0.000 0.856 23 R HN 0.169 nan 8.270 nan 0.000 0.436 24 R N 0.077 120.534 120.500 -0.070 0.000 2.092 24 R HA -0.025 4.315 4.340 0.000 0.000 0.231 24 R C 2.371 178.671 176.300 0.001 0.000 1.119 24 R CA 1.466 57.459 56.100 -0.177 0.000 0.970 24 R CB -0.286 29.636 30.300 -0.630 0.000 0.864 24 R HN 0.295 nan 8.270 nan 0.000 0.440 25 I N 0.720 121.359 120.570 0.116 0.000 2.286 25 I HA -0.253 3.917 4.170 0.000 0.000 0.248 25 I C 2.418 178.600 176.117 0.108 0.000 1.115 25 I CA 1.186 62.595 61.300 0.181 0.000 1.392 25 I CB -0.189 37.882 38.000 0.119 0.000 1.065 25 I HN 0.168 nan 8.210 nan 0.000 0.418 26 E N 1.462 121.732 120.200 0.116 0.000 2.051 26 E HA -0.234 4.116 4.350 0.000 0.000 0.192 26 E C 1.972 178.720 176.600 0.247 0.000 0.991 26 E CA 1.598 58.106 56.400 0.180 0.000 0.799 26 E CB -0.033 29.753 29.700 0.144 0.000 0.748 26 E HN 0.411 nan 8.360 nan 0.000 0.449 27 E N -0.173 120.152 120.200 0.208 0.000 2.051 27 E HA -0.209 4.141 4.350 0.000 0.000 0.192 27 E C 2.077 178.845 176.600 0.280 0.000 0.991 27 E CA 1.026 57.585 56.400 0.264 0.000 0.799 27 E CB -0.273 29.627 29.700 0.334 0.000 0.748 27 E HN 0.381 nan 8.360 nan 0.000 0.449 28 A N 1.211 124.183 122.820 0.252 0.000 1.883 28 A HA -0.201 4.119 4.320 0.000 0.000 0.217 28 A C 2.414 180.024 177.584 0.044 0.000 1.186 28 A CA 2.233 54.386 52.037 0.192 0.000 0.624 28 A CB -1.141 17.892 19.000 0.055 0.000 0.822 28 A HN 0.410 nan 8.150 nan 0.000 0.444 29 T N -3.809 110.705 114.554 -0.067 0.000 3.163 29 T HA -0.016 4.334 4.350 0.000 0.000 0.260 29 T C 0.573 174.962 174.700 -0.519 0.000 1.156 29 T CA 1.117 63.051 62.100 -0.276 0.000 1.072 29 T CB -0.370 68.284 68.868 -0.357 0.000 0.937 29 T HN 0.579 nan 8.240 nan 0.000 0.528 30 H N -0.482 118.630 119.070 0.069 0.000 2.779 30 H HA 0.627 5.183 4.556 0.000 0.000 0.230 30 H C 1.397 176.760 175.328 0.057 0.000 1.365 30 H CA -0.192 55.889 56.048 0.055 0.000 1.086 30 H CB 0.294 30.084 29.762 0.047 0.000 2.038 30 H HN 0.373 nan 8.280 nan 0.000 0.558 31 A N 0.822 123.713 122.820 0.118 0.000 1.933 31 A HA 0.027 4.347 4.320 0.000 0.000 0.218 31 A C 1.756 179.353 177.584 0.022 0.000 1.175 31 A CA 1.124 53.211 52.037 0.084 0.000 0.628 31 A CB -0.451 18.593 19.000 0.073 0.000 0.814 31 A HN 0.403 nan 8.150 nan 0.000 0.444 32 G N 0.364 109.182 108.800 0.029 0.000 2.442 32 G HA2 0.408 4.368 3.960 0.000 0.000 0.249 32 G HA3 0.408 4.368 3.960 0.000 0.000 0.249 32 G C 0.386 175.295 174.900 0.015 0.000 1.263 32 G CA 0.376 45.474 45.100 -0.004 0.000 0.846 32 G HN 0.753 nan 8.290 nan 0.000 0.555 33 S N 1.091 116.781 115.700 -0.017 0.000 2.579 33 S HA 0.374 4.844 4.470 0.000 0.000 0.275 33 S C 1.733 176.341 174.600 0.013 0.000 1.345 33 S CA 0.134 58.331 58.200 -0.005 0.000 1.031 33 S CB 1.443 64.631 63.200 -0.020 0.000 0.892 33 S HN 1.264 nan 8.310 nan 0.000 0.529 34 A N 2.768 125.592 122.820 0.007 0.000 1.883 34 A HA -0.190 4.130 4.320 0.000 0.000 0.217 34 A C 2.348 179.938 177.584 0.009 0.000 1.186 34 A CA 1.832 53.872 52.037 0.004 0.000 0.624 34 A CB -0.983 18.010 19.000 -0.013 0.000 0.822 34 A HN 1.036 nan 8.150 nan 0.000 0.444 35 R N -0.468 120.037 120.500 0.008 0.000 2.096 35 R HA 0.060 4.400 4.340 0.000 0.000 0.235 35 R C 2.130 178.449 176.300 0.032 0.000 1.127 35 R CA 1.522 57.631 56.100 0.015 0.000 0.968 35 R CB -0.667 29.640 30.300 0.011 0.000 0.861 35 R HN 0.317 nan 8.270 nan 0.000 0.440 36 A N 1.390 124.229 122.820 0.032 0.000 1.898 36 A HA -0.018 4.302 4.320 0.000 0.000 0.216 36 A C 2.393 180.029 177.584 0.087 0.000 1.181 36 A CA 1.400 53.469 52.037 0.053 0.000 0.620 36 A CB -0.415 18.598 19.000 0.020 0.000 0.819 36 A HN 0.178 nan 8.150 nan 0.000 0.442 37 V N 0.074 120.031 119.914 0.073 0.000 2.427 37 V HA -0.249 3.871 4.120 0.000 0.000 0.248 37 V C 2.366 178.520 176.094 0.099 0.000 1.051 37 V CA 2.177 64.533 62.300 0.093 0.000 1.048 37 V CB -0.830 31.041 31.823 0.080 0.000 0.666 37 V HN 0.616 nan 8.190 nan 0.000 0.456 38 E N -0.001 120.233 120.200 0.056 0.000 2.077 38 E HA -0.267 4.083 4.350 0.000 0.000 0.193 38 E C 2.295 178.948 176.600 0.088 0.000 0.989 38 E CA 1.395 57.817 56.400 0.037 0.000 0.800 38 E CB -0.123 29.578 29.700 0.002 0.000 0.746 38 E HN 0.526 nan 8.360 nan 0.000 0.452 39 K N 0.858 121.311 120.400 0.088 0.000 2.026 39 K HA -0.269 4.051 4.320 0.000 0.000 0.208 39 K C 2.308 178.971 176.600 0.105 0.000 1.048 39 K CA 1.680 58.023 56.287 0.094 0.000 0.929 39 K CB 0.002 32.564 32.500 0.103 0.000 0.713 39 K HN -0.084 nan 8.250 nan 0.000 0.439 40 Q N 0.123 120.000 119.800 0.129 0.000 2.084 40 Q HA -0.238 4.103 4.340 0.000 0.000 0.202 40 Q C 2.055 178.107 176.000 0.085 0.000 0.978 40 Q CA 1.859 57.721 55.803 0.098 0.000 0.844 40 Q CB -0.372 28.451 28.738 0.141 0.000 0.898 40 Q HN 0.464 nan 8.270 nan 0.000 0.426 41 H N -0.533 118.552 119.070 0.025 0.000 2.423 41 H HA 0.012 4.568 4.556 0.000 0.000 0.297 41 H C 1.523 176.855 175.328 0.007 0.000 1.075 41 H CA 1.523 57.580 56.048 0.015 0.000 1.342 41 H CB -0.021 29.754 29.762 0.021 0.000 1.395 41 H HN 0.404 nan 8.280 nan 0.000 0.530 42 A N 1.191 124.129 122.820 0.197 0.000 1.969 42 A HA -0.113 4.207 4.320 0.000 0.000 0.218 42 A C 2.227 179.834 177.584 0.039 0.000 1.169 42 A CA 1.188 53.302 52.037 0.128 0.000 0.635 42 A CB -0.256 18.797 19.000 0.090 0.000 0.810 42 A HN 0.399 nan 8.150 nan 0.000 0.445 43 K N -0.782 119.621 120.400 0.005 0.000 2.505 43 K HA 0.228 4.548 4.320 0.000 0.000 0.192 43 K C 0.827 177.390 176.600 -0.061 0.000 1.025 43 K CA 0.381 56.648 56.287 -0.033 0.000 1.086 43 K CB -0.223 32.242 32.500 -0.059 0.000 0.840 43 K HN 0.607 nan 8.250 nan 0.000 0.514 44 G N 2.304 111.048 108.800 -0.093 0.000 2.246 44 G HA2 -0.296 3.664 3.960 0.000 0.000 0.273 44 G HA3 -0.296 3.664 3.960 0.000 0.000 0.273 44 G C -0.448 174.369 174.900 -0.139 0.000 1.055 44 G CA 0.239 45.256 45.100 -0.139 0.000 0.851 44 G HN 0.281 nan 8.290 nan 0.000 0.500 45 K N -0.789 119.527 120.400 -0.141 0.000 2.208 45 K HA 0.737 5.057 4.320 0.000 0.000 0.247 45 K C 0.654 177.195 176.600 -0.098 0.000 0.953 45 K CA -0.941 55.285 56.287 -0.103 0.000 0.837 45 K CB 1.736 34.187 32.500 -0.082 0.000 1.131 45 K HN 0.137 nan 8.250 nan 0.000 0.431 46 L N 0.938 122.124 121.223 -0.062 0.000 2.431 46 L HA 0.311 4.652 4.340 0.000 0.000 0.260 46 L C 1.004 177.875 176.870 0.002 0.000 1.098 46 L CA -0.702 54.117 54.840 -0.035 0.000 0.800 46 L CB 1.161 43.198 42.059 -0.036 0.000 1.210 46 L HN 0.799 nan 8.230 nan 0.000 0.465 47 T N -2.113 112.454 114.554 0.022 0.000 2.788 47 T HA 0.309 4.659 4.350 0.000 0.000 0.287 47 T C 1.073 175.782 174.700 0.015 0.000 1.007 47 T CA -0.099 62.024 62.100 0.039 0.000 1.005 47 T CB 1.399 70.295 68.868 0.047 0.000 1.012 47 T HN 0.647 nan 8.240 nan 0.000 0.530 48 A N 1.134 123.972 122.820 0.030 0.000 1.902 48 A HA -0.070 4.250 4.320 0.000 0.000 0.217 48 A C 2.579 180.133 177.584 -0.049 0.000 1.181 48 A CA 1.313 53.357 52.037 0.012 0.000 0.623 48 A CB -0.714 18.318 19.000 0.053 0.000 0.818 48 A HN 0.907 nan 8.150 nan 0.000 0.443 49 R N -0.561 119.907 120.500 -0.053 0.000 2.115 49 R HA -0.063 4.277 4.340 0.000 0.000 0.226 49 R C 2.040 178.269 176.300 -0.117 0.000 1.100 49 R CA 1.327 57.362 56.100 -0.108 0.000 0.980 49 R CB -0.243 30.010 30.300 -0.078 0.000 0.875 49 R HN 0.665 nan 8.270 nan 0.000 0.445 50 E N 0.369 120.530 120.200 -0.066 0.000 2.106 50 E HA -0.160 4.190 4.350 0.000 0.000 0.192 50 E C 2.028 178.581 176.600 -0.078 0.000 0.984 50 E CA 0.951 57.317 56.400 -0.056 0.000 0.806 50 E CB 0.069 29.755 29.700 -0.022 0.000 0.750 50 E HN 0.256 nan 8.360 nan 0.000 0.458 51 R N 0.371 120.822 120.500 -0.081 0.000 2.075 51 R HA -0.068 4.272 4.340 0.000 0.000 0.232 51 R C 2.359 178.579 176.300 -0.133 0.000 1.126 51 R CA 1.032 57.080 56.100 -0.087 0.000 0.963 51 R CB -0.215 30.043 30.300 -0.070 0.000 0.858 51 R HN 0.182 nan 8.270 nan 0.000 0.435 52 I N 0.969 121.417 120.570 -0.204 0.000 2.226 52 I HA -0.264 3.906 4.170 0.000 0.000 0.245 52 I C 1.416 177.367 176.117 -0.277 0.000 1.100 52 I CA 1.213 62.323 61.300 -0.317 0.000 1.374 52 I CB -0.315 37.330 38.000 -0.591 0.000 1.057 52 I HN 0.127 nan 8.210 nan 0.000 0.413 53 D N 0.704 120.970 120.400 -0.223 0.000 2.144 53 D HA -0.173 4.467 4.640 0.000 0.000 0.199 53 D C 2.017 178.260 176.300 -0.095 0.000 0.984 53 D CA 1.077 54.992 54.000 -0.142 0.000 0.834 53 D CB -0.265 40.477 40.800 -0.096 0.000 0.955 53 D HN 0.164 nan 8.370 nan 0.000 0.465 54 L N 0.336 121.507 121.223 -0.087 0.000 2.093 54 L HA -0.078 4.262 4.340 0.000 0.000 0.208 54 L C 1.998 178.832 176.870 -0.060 0.000 1.085 54 L CA 1.169 55.972 54.840 -0.060 0.000 0.755 54 L CB -0.440 41.588 42.059 -0.051 0.000 0.904 54 L HN 0.021 nan 8.230 nan 0.000 0.435 55 L N -1.226 119.949 121.223 -0.080 0.000 2.102 55 L HA 0.099 4.439 4.340 0.000 0.000 0.202 55 L C 0.801 177.634 176.870 -0.061 0.000 1.076 55 L CA 1.114 55.912 54.840 -0.070 0.000 0.761 55 L CB -0.184 41.824 42.059 -0.085 0.000 0.921 55 L HN 0.007 nan 8.230 nan 0.000 0.444 56 L N 0.768 121.947 121.223 -0.073 0.000 2.418 56 L HA 0.210 4.550 4.340 0.000 0.000 0.265 56 L C -0.198 176.662 176.870 -0.017 0.000 1.143 56 L CA -0.919 53.901 54.840 -0.033 0.000 0.809 56 L CB 0.270 42.315 42.059 -0.022 0.000 1.124 56 L HN 0.086 nan 8.230 nan 0.000 0.456 57 D N 1.672 122.075 120.400 0.004 0.000 2.443 57 D HA -0.036 4.604 4.640 0.000 0.000 0.239 57 D C 0.336 176.644 176.300 0.013 0.000 1.136 57 D CA 0.005 54.008 54.000 0.005 0.000 0.879 57 D CB 0.602 41.410 40.800 0.013 0.000 1.195 57 D HN 0.356 nan 8.370 nan 0.000 0.443 58 E N 0.611 120.814 120.200 0.005 0.000 2.608 58 E HA 0.001 4.351 4.350 0.000 0.000 0.259 58 E C 1.085 177.698 176.600 0.020 0.000 0.951 58 E CA 0.780 57.186 56.400 0.009 0.000 0.945 58 E CB 0.371 30.073 29.700 0.002 0.000 0.916 58 E HN 0.707 nan 8.360 nan 0.000 0.477 59 G N 3.383 112.200 108.800 0.028 0.000 2.189 59 G HA2 -0.377 3.583 3.960 0.000 0.000 0.267 59 G HA3 -0.377 3.583 3.960 0.000 0.000 0.267 59 G C 0.862 175.781 174.900 0.033 0.000 0.975 59 G CA 1.240 46.356 45.100 0.026 0.000 0.644 59 G HN 0.712 nan 8.290 nan 0.000 0.537 60 S N -1.131 114.602 115.700 0.056 0.000 2.503 60 S HA 0.423 4.893 4.470 0.000 0.000 0.217 60 S C 0.869 175.509 174.600 0.067 0.000 0.999 60 S CA 0.314 58.553 58.200 0.066 0.000 0.914 60 S CB 0.149 63.399 63.200 0.083 0.000 0.782 60 S HN 1.000 nan 8.310 nan 0.000 0.520 61 F N 3.281 123.168 119.950 -0.104 0.000 2.543 61 F HA 0.494 5.021 4.527 0.000 0.000 0.375 61 F C -0.551 175.077 175.800 -0.287 0.000 1.075 61 F CA -0.930 56.962 58.000 -0.180 0.000 1.225 61 F CB 0.821 39.738 39.000 -0.139 0.000 1.099 61 F HN -0.076 nan 8.300 nan 0.000 0.561 62 V N 6.887 126.108 119.914 -1.155 0.000 2.376 62 V HA 0.201 4.321 4.120 0.000 0.000 0.287 62 V C -0.199 174.989 176.094 -1.510 0.000 1.015 62 V CA -0.983 60.574 62.300 -1.238 0.000 0.834 62 V CB 1.292 32.304 31.823 -1.351 0.000 1.001 62 V HN 0.756 nan 8.190 nan 0.000 0.428 63 E N 4.691 124.082 120.200 -1.349 0.000 2.331 63 E HA 0.525 4.875 4.350 0.000 0.000 0.272 63 E C -1.214 175.074 176.600 -0.519 0.000 1.036 63 E CA -0.424 55.411 56.400 -0.942 0.000 0.864 63 E CB 0.981 30.327 29.700 -0.589 0.000 1.035 63 E HN 0.578 nan 8.360 nan 0.000 0.408 64 L N 3.517 124.536 121.223 -0.339 0.000 2.334 64 L HA 0.290 4.630 4.340 0.000 0.000 0.276 64 L C -0.312 176.459 176.870 -0.165 0.000 1.014 64 L CA -0.899 53.805 54.840 -0.228 0.000 0.815 64 L CB 1.555 43.505 42.059 -0.182 0.000 1.268 64 L HN 0.688 nan 8.230 nan 0.000 0.428 65 D N 0.918 121.236 120.400 -0.135 0.000 2.751 65 D HA -0.221 4.419 4.640 0.000 0.000 0.233 65 D C 1.138 177.365 176.300 -0.123 0.000 1.149 65 D CA 1.286 55.234 54.000 -0.086 0.000 0.682 65 D CB -0.567 40.206 40.800 -0.044 0.000 1.068 65 D HN 0.786 nan 8.370 nan 0.000 0.429 66 E N -0.930 119.097 120.200 -0.288 0.000 2.118 66 E HA -0.190 4.160 4.350 0.000 0.000 0.195 66 E C 1.122 177.505 176.600 -0.361 0.000 0.992 66 E CA 0.956 57.096 56.400 -0.434 0.000 0.804 66 E CB 0.013 29.235 29.700 -0.796 0.000 0.741 66 E HN 0.301 nan 8.360 nan 0.000 0.458 67 F N 0.402 120.345 119.950 -0.011 0.000 2.660 67 F HA 0.368 4.895 4.527 0.000 0.000 0.297 67 F C 0.554 176.491 175.800 0.227 0.000 1.132 67 F CA -0.319 57.732 58.000 0.086 0.000 1.372 67 F CB -0.270 38.683 39.000 -0.079 0.000 1.003 67 F HN -0.072 nan 8.300 nan 0.000 0.524 68 A N 1.255 124.230 122.820 0.259 0.000 2.445 68 A HA 0.579 4.899 4.320 0.000 0.000 0.242 68 A C 0.582 178.293 177.584 0.211 0.000 1.075 68 A CA -0.092 52.059 52.037 0.190 0.000 0.777 68 A CB 0.385 19.450 19.000 0.108 0.000 1.013 68 A HN 0.383 nan 8.150 nan 0.000 0.493 69 R N 0.777 121.362 120.500 0.142 0.000 2.651 69 R HA 0.276 4.616 4.340 0.000 0.000 0.278 69 R C -0.622 175.715 176.300 0.061 0.000 1.010 69 R CA -0.767 55.382 56.100 0.081 0.000 0.896 69 R CB 1.630 31.915 30.300 -0.026 0.000 1.211 69 R HN 1.062 nan 8.270 nan 0.000 0.456 70 H N 1.451 120.567 119.070 0.076 0.000 2.671 70 H HA 0.206 4.762 4.556 0.000 0.000 0.372 70 H C -0.326 175.015 175.328 0.022 0.000 1.227 70 H CA -0.025 56.052 56.048 0.048 0.000 1.426 70 H CB 1.279 31.065 29.762 0.040 0.000 1.480 70 H HN 0.546 nan 8.280 nan 0.000 0.611 71 R N 1.181 121.737 120.500 0.094 0.000 2.613 71 R HA 0.147 4.487 4.340 0.000 0.000 0.361 71 R C 0.118 176.474 176.300 0.093 0.000 1.072 71 R CA -0.271 55.839 56.100 0.017 0.000 1.089 71 R CB 0.623 30.932 30.300 0.016 0.000 1.343 71 R HN 0.449 nan 8.270 nan 0.000 0.571 72 S N 0.718 116.599 115.700 0.302 0.000 2.586 72 S HA 0.158 4.628 4.470 0.000 0.000 0.274 72 S C 1.076 175.761 174.600 0.142 0.000 1.281 72 S CA -0.231 58.078 58.200 0.181 0.000 1.035 72 S CB 1.051 64.303 63.200 0.086 0.000 0.962 72 S HN 0.380 nan 8.310 nan 0.000 0.512 73 T N 0.525 115.101 114.554 0.037 0.000 3.170 73 T HA 0.306 4.656 4.350 0.000 0.000 0.288 73 T C -0.066 174.602 174.700 -0.054 0.000 0.992 73 T CA -0.496 61.607 62.100 0.004 0.000 0.909 73 T CB -0.778 68.077 68.868 -0.021 0.000 1.133 73 T HN 0.589 nan 8.240 nan 0.000 0.530 74 N N 1.739 120.398 118.700 -0.068 0.000 2.520 74 N HA 0.402 5.142 4.740 0.000 0.000 0.273 74 N C -0.882 174.592 175.510 -0.060 0.000 1.155 74 N CA -0.806 52.142 53.050 -0.171 0.000 0.967 74 N CB 0.003 38.442 38.487 -0.081 0.000 1.092 74 N HN 0.100 nan 8.380 nan 0.000 0.457 75 F N 1.268 121.193 119.950 -0.041 0.000 2.970 75 F HA -0.222 4.305 4.527 0.000 0.000 0.251 75 F C 1.575 177.351 175.800 -0.041 0.000 0.993 75 F CA 0.821 58.796 58.000 -0.041 0.000 0.869 75 F CB -2.196 36.770 39.000 -0.056 0.000 0.762 75 F HN 0.870 nan 8.300 nan 0.000 0.817 76 G N -0.406 108.434 108.800 0.066 0.000 2.233 76 G HA2 -0.366 3.594 3.960 0.000 0.000 0.270 76 G HA3 -0.366 3.594 3.960 0.000 0.000 0.270 76 G C 1.084 176.020 174.900 0.061 0.000 1.011 76 G CA 0.330 45.465 45.100 0.059 0.000 0.762 76 G HN 0.625 nan 8.290 nan 0.000 0.511 77 L N 0.553 121.796 121.223 0.033 0.000 2.201 77 L HA -0.032 4.308 4.340 0.000 0.000 0.212 77 L C 2.537 179.513 176.870 0.177 0.000 1.105 77 L CA 2.006 56.822 54.840 -0.040 0.000 0.775 77 L CB -0.205 41.717 42.059 -0.228 0.000 0.913 77 L HN 0.540 nan 8.230 nan 0.000 0.440 78 D N -0.486 120.034 120.400 0.200 0.000 2.378 78 D HA -0.108 4.532 4.640 0.000 0.000 0.227 78 D C 1.637 178.006 176.300 0.115 0.000 1.012 78 D CA 0.786 54.902 54.000 0.193 0.000 0.905 78 D CB 0.113 40.959 40.800 0.077 0.000 0.895 78 D HN 0.247 nan 8.370 nan 0.000 0.532 79 A N 0.307 123.201 122.820 0.124 0.000 2.119 79 A HA -0.086 4.234 4.320 0.000 0.000 0.217 79 A C 0.934 178.580 177.584 0.103 0.000 1.153 79 A CA 0.435 52.527 52.037 0.091 0.000 0.692 79 A CB -0.415 18.636 19.000 0.085 0.000 0.799 79 A HN 0.432 nan 8.150 nan 0.000 0.458 80 N N -0.647 118.163 118.700 0.184 0.000 2.455 80 N HA 0.257 4.997 4.740 0.000 0.000 0.285 80 N C -1.547 174.147 175.510 0.306 0.000 1.080 80 N CA -0.529 52.626 53.050 0.175 0.000 0.932 80 N CB 0.803 39.387 38.487 0.162 0.000 1.610 80 N HN 0.132 nan 8.380 nan 0.000 0.493 81 R N 3.413 123.974 120.500 0.101 0.000 2.477 81 R HA 0.328 4.668 4.340 0.000 0.000 0.285 81 R C -2.425 173.852 176.300 -0.038 0.000 1.415 81 R CA -1.385 54.748 56.100 0.054 0.000 1.446 81 R CB 1.329 31.492 30.300 -0.227 0.000 1.110 81 R HN 0.432 nan 8.270 nan 0.000 0.590 82 P HA -0.087 nan 4.420 nan 0.000 0.268 82 P C -0.602 176.717 177.300 0.033 0.000 1.204 82 P CA 0.128 63.207 63.100 -0.035 0.000 0.768 82 P CB 0.597 32.248 31.700 -0.082 0.000 0.842 83 Y N 1.147 121.513 120.300 0.110 0.000 2.610 83 Y HA 0.227 4.777 4.550 0.000 0.000 0.332 83 Y C 2.098 178.062 175.900 0.107 0.000 1.201 83 Y CA 1.591 59.781 58.100 0.150 0.000 1.465 83 Y CB 0.094 38.696 38.460 0.237 0.000 1.283 83 Y HN 0.802 nan 8.280 nan 0.000 0.563 84 G N 1.958 110.925 108.800 0.277 0.000 2.234 84 G HA2 -0.374 3.586 3.960 0.000 0.000 0.235 84 G HA3 -0.374 3.586 3.960 0.000 0.000 0.235 84 G C 0.425 175.425 174.900 0.167 0.000 0.997 84 G CA 0.234 45.426 45.100 0.154 0.000 0.623 84 G HN 0.813 nan 8.290 nan 0.000 0.514 85 D N -1.136 119.393 120.400 0.215 0.000 2.811 85 D HA 0.132 4.772 4.640 0.000 0.000 0.231 85 D C 1.875 178.396 176.300 0.370 0.000 1.157 85 D CA 3.256 57.428 54.000 0.287 0.000 0.716 85 D CB -1.265 39.706 40.800 0.286 0.000 1.077 85 D HN 2.204 nan 8.370 nan 0.000 0.428 86 G N -2.612 106.364 108.800 0.293 0.000 2.175 86 G HA2 -0.104 3.856 3.960 0.000 0.000 0.244 86 G HA3 -0.104 3.856 3.960 0.000 0.000 0.244 86 G C 0.226 175.447 174.900 0.535 0.000 0.982 86 G CA 0.371 45.686 45.100 0.360 0.000 0.641 86 G HN 1.296 nan 8.290 nan 0.000 0.527 87 V N 0.060 120.144 119.914 0.284 0.000 2.932 87 V HA 0.712 4.832 4.120 0.000 0.000 0.307 87 V C -0.657 175.431 176.094 -0.010 0.000 1.147 87 V CA -0.562 61.752 62.300 0.023 0.000 0.951 87 V CB 2.369 33.657 31.823 -0.891 0.000 1.031 87 V HN 0.616 nan 8.190 nan 0.000 0.426 88 V N 5.627 125.564 119.914 0.039 0.000 2.370 88 V HA 0.744 4.864 4.120 0.000 0.000 0.283 88 V C 0.290 176.439 176.094 0.091 0.000 1.023 88 V CA 0.121 62.455 62.300 0.056 0.000 0.857 88 V CB 1.526 33.374 31.823 0.042 0.000 0.985 88 V HN 1.084 nan 8.190 nan 0.000 0.443 89 T N 1.303 115.924 114.554 0.112 0.000 2.906 89 T HA 0.981 5.331 4.350 0.000 0.000 0.295 89 T C -0.122 174.682 174.700 0.173 0.000 1.075 89 T CA -0.131 62.053 62.100 0.140 0.000 1.005 89 T CB 2.308 71.200 68.868 0.040 0.000 1.136 89 T HN 1.362 nan 8.240 nan 0.000 0.498 90 G N 0.301 109.214 108.800 0.189 0.000 2.323 90 G HA2 0.475 4.435 3.960 0.000 0.000 0.291 90 G HA3 0.475 4.435 3.960 0.000 0.000 0.291 90 G C -2.032 172.940 174.900 0.120 0.000 1.278 90 G CA -0.399 44.711 45.100 0.017 0.000 0.860 90 G HN 1.389 nan 8.290 nan 0.000 0.504 91 Y N -1.152 119.108 120.300 -0.068 0.000 2.602 91 Y HA 0.937 5.487 4.550 0.000 0.000 0.342 91 Y C 0.421 176.395 175.900 0.123 0.000 1.029 91 Y CA -0.665 57.450 58.100 0.025 0.000 1.080 91 Y CB 1.725 40.127 38.460 -0.096 0.000 1.284 91 Y HN 1.668 nan 8.280 nan 0.000 0.485 92 G N -0.045 108.996 108.800 0.402 0.000 2.500 92 G HA2 0.519 4.479 3.960 0.000 0.000 0.299 92 G HA3 0.519 4.479 3.960 0.000 0.000 0.299 92 G C -1.443 173.592 174.900 0.226 0.000 1.242 92 G CA -0.418 44.851 45.100 0.282 0.000 0.859 92 G HN 1.215 nan 8.290 nan 0.000 0.481 93 T N -2.713 111.925 114.554 0.141 0.000 2.906 93 T HA 0.703 5.053 4.350 0.000 0.000 0.295 93 T C -1.384 173.345 174.700 0.048 0.000 1.061 93 T CA -0.749 61.406 62.100 0.092 0.000 1.000 93 T CB 2.012 70.926 68.868 0.077 0.000 1.103 93 T HN 1.026 nan 8.240 nan 0.000 0.486 94 V N 2.637 122.564 119.914 0.022 0.000 2.447 94 V HA 0.386 4.506 4.120 0.000 0.000 0.292 94 V C -0.478 175.604 176.094 -0.021 0.000 1.021 94 V CA -0.604 61.690 62.300 -0.010 0.000 0.850 94 V CB 1.028 32.835 31.823 -0.027 0.000 1.005 94 V HN 1.152 nan 8.190 nan 0.000 0.426 95 D N 4.381 124.767 120.400 -0.024 0.000 2.723 95 D HA -0.196 4.444 4.640 0.000 0.000 0.236 95 D C 1.330 177.629 176.300 -0.001 0.000 1.138 95 D CA 1.610 55.596 54.000 -0.025 0.000 0.676 95 D CB -0.928 39.842 40.800 -0.049 0.000 1.069 95 D HN 1.407 nan 8.370 nan 0.000 0.430 96 G N -0.341 108.464 108.800 0.009 0.000 2.184 96 G HA2 -0.380 3.580 3.960 0.000 0.000 0.264 96 G HA3 -0.380 3.580 3.960 0.000 0.000 0.264 96 G C 0.362 175.274 174.900 0.020 0.000 0.975 96 G CA 0.676 45.788 45.100 0.020 0.000 0.642 96 G HN 0.520 nan 8.290 nan 0.000 0.536 97 R N 1.230 121.737 120.500 0.012 0.000 2.532 97 R HA 0.492 4.832 4.340 0.000 0.000 0.295 97 R C -2.402 173.914 176.300 0.027 0.000 0.968 97 R CA -1.920 54.184 56.100 0.006 0.000 0.916 97 R CB 1.697 31.986 30.300 -0.018 0.000 1.124 97 R HN 0.128 nan 8.270 nan 0.000 0.463 98 P HA 0.023 nan 4.420 nan 0.000 0.268 98 P C -0.714 176.634 177.300 0.080 0.000 1.204 98 P CA 0.114 63.257 63.100 0.072 0.000 0.768 98 P CB 0.976 32.703 31.700 0.044 0.000 0.842 99 V N 2.303 122.298 119.914 0.134 0.000 3.012 99 V HA 0.640 4.760 4.120 0.000 0.000 0.307 99 V C -0.171 176.049 176.094 0.211 0.000 1.166 99 V CA -0.913 61.464 62.300 0.128 0.000 0.974 99 V CB 2.202 34.069 31.823 0.074 0.000 1.040 99 V HN 0.756 nan 8.190 nan 0.000 0.428 100 A N 2.523 125.469 122.820 0.210 0.000 2.340 100 A HA 0.971 5.291 4.320 0.000 0.000 0.331 100 A C -0.951 176.742 177.584 0.180 0.000 1.140 100 A CA -0.656 51.538 52.037 0.260 0.000 0.801 100 A CB 1.881 21.076 19.000 0.326 0.000 1.234 100 A HN 1.320 nan 8.150 nan 0.000 0.469 101 V N 2.269 122.291 119.914 0.180 0.000 3.087 101 V HA 0.876 4.996 4.120 0.000 0.000 0.306 101 V C -1.873 174.322 176.094 0.167 0.000 1.187 101 V CA -0.857 61.496 62.300 0.089 0.000 0.999 101 V CB 2.062 33.880 31.823 -0.007 0.000 1.049 101 V HN 1.353 nan 8.190 nan 0.000 0.431 102 F N 2.571 122.534 119.950 0.022 0.000 2.578 102 F HA 0.886 5.413 4.527 0.000 0.000 0.311 102 F C -0.614 175.180 175.800 -0.010 0.000 1.094 102 F CA -0.700 57.293 58.000 -0.011 0.000 0.923 102 F CB 2.042 41.020 39.000 -0.036 0.000 1.230 102 F HN 0.473 nan 8.300 nan 0.000 0.450 103 S N 2.494 118.286 115.700 0.154 0.000 2.789 103 S HA 0.311 4.781 4.470 0.000 0.000 0.286 103 S C -1.117 173.599 174.600 0.193 0.000 1.153 103 S CA -0.576 57.669 58.200 0.076 0.000 1.084 103 S CB 0.756 63.938 63.200 -0.029 0.000 1.036 103 S HN 0.778 nan 8.310 nan 0.000 0.484 104 Q N 2.475 122.456 119.800 0.302 0.000 2.337 104 Q HA 0.144 4.484 4.340 0.000 0.000 0.270 104 Q C -0.681 175.490 176.000 0.286 0.000 1.002 104 Q CA 0.034 56.078 55.803 0.401 0.000 0.888 104 Q CB 0.572 29.591 28.738 0.468 0.000 1.222 104 Q HN 0.496 nan 8.270 nan 0.000 0.400 105 D N 2.329 122.905 120.400 0.293 0.000 2.467 105 D HA 0.053 4.693 4.640 0.000 0.000 0.220 105 D C -0.181 176.234 176.300 0.191 0.000 1.103 105 D CA -0.392 53.732 54.000 0.207 0.000 0.886 105 D CB 0.302 41.194 40.800 0.153 0.000 1.025 105 D HN 0.491 nan 8.370 nan 0.000 0.514 106 F N 2.437 122.430 119.950 0.071 0.000 2.307 106 F HA -0.195 4.332 4.527 0.000 0.000 0.301 106 F C 2.362 178.179 175.800 0.029 0.000 1.076 106 F CA 1.748 59.776 58.000 0.047 0.000 1.383 106 F CB 0.057 39.081 39.000 0.040 0.000 1.055 106 F HN 0.381 nan 8.300 nan 0.000 0.526 107 T N -2.471 112.148 114.554 0.108 0.000 3.072 107 T HA 0.049 4.399 4.350 0.000 0.000 0.266 107 T C 0.577 175.212 174.700 -0.108 0.000 1.127 107 T CA 0.509 62.619 62.100 0.017 0.000 1.107 107 T CB -0.827 68.083 68.868 0.069 0.000 0.910 107 T HN -0.092 nan 8.240 nan 0.000 0.513 108 V N 2.662 122.496 119.914 -0.134 0.000 2.328 108 V HA 0.409 4.529 4.120 0.000 0.000 0.278 108 V C -0.210 175.744 176.094 -0.234 0.000 1.021 108 V CA -1.017 61.124 62.300 -0.265 0.000 0.838 108 V CB -0.272 31.456 31.823 -0.159 0.000 0.999 108 V HN 0.439 nan 8.190 nan 0.000 0.447 109 F N 3.327 123.195 119.950 -0.137 0.000 3.090 109 F HA -0.236 4.291 4.527 0.000 0.000 0.282 109 F C 1.692 177.322 175.800 -0.282 0.000 0.923 109 F CA 1.191 59.083 58.000 -0.181 0.000 0.977 109 F CB -1.820 37.079 39.000 -0.168 0.000 0.954 109 F HN 0.934 nan 8.300 nan 0.000 0.695 110 G N -1.114 107.501 108.800 -0.309 0.000 2.203 110 G HA2 0.109 4.069 3.960 0.000 0.000 0.263 110 G HA3 0.109 4.069 3.960 0.000 0.000 0.263 110 G C 1.657 176.162 174.900 -0.659 0.000 1.012 110 G CA 1.162 45.817 45.100 -0.742 0.000 0.749 110 G HN 2.208 nan 8.290 nan 0.000 0.512 111 G N -1.488 107.121 108.800 -0.317 0.000 2.168 111 G HA2 0.126 4.086 3.960 0.000 0.000 0.263 111 G HA3 0.126 4.086 3.960 0.000 0.000 0.263 111 G C 0.905 175.693 174.900 -0.186 0.000 0.977 111 G CA 1.200 46.228 45.100 -0.121 0.000 0.659 111 G HN 2.359 nan 8.290 nan 0.000 0.533 112 A N 0.763 123.473 122.820 -0.184 0.000 2.548 112 A HA 0.477 4.797 4.320 0.000 0.000 0.247 112 A C 0.909 178.255 177.584 -0.397 0.000 1.067 112 A CA 0.148 52.063 52.037 -0.203 0.000 0.757 112 A CB 0.341 19.252 19.000 -0.149 0.000 0.996 112 A HN 1.357 nan 8.150 nan 0.000 0.504 113 L N 4.068 125.031 121.223 -0.432 0.000 2.477 113 L HA 0.471 4.811 4.340 0.000 0.000 0.272 113 L C 0.622 177.223 176.870 -0.448 0.000 1.157 113 L CA 1.134 55.589 54.840 -0.641 0.000 0.889 113 L CB -0.184 41.514 42.059 -0.601 0.000 1.158 113 L HN 0.780 nan 8.230 nan 0.000 0.473 114 G N 3.789 112.382 108.800 -0.345 0.000 2.932 114 G HA2 0.277 4.237 3.960 0.000 0.000 0.283 114 G HA3 0.277 4.237 3.960 0.000 0.000 0.283 114 G C 0.373 175.216 174.900 -0.096 0.000 1.336 114 G CA -0.090 44.895 45.100 -0.191 0.000 1.056 114 G HN 0.743 nan 8.290 nan 0.000 0.522 115 E N -1.251 118.912 120.200 -0.063 0.000 2.031 115 E HA -0.151 4.199 4.350 0.000 0.000 0.193 115 E C 2.432 179.038 176.600 0.010 0.000 0.994 115 E CA 1.478 57.858 56.400 -0.033 0.000 0.800 115 E CB -0.080 29.610 29.700 -0.015 0.000 0.752 115 E HN 0.176 nan 8.360 nan 0.000 0.447 116 V N 0.392 120.342 119.914 0.060 0.000 2.548 116 V HA -0.215 3.905 4.120 0.000 0.000 0.249 116 V C 2.080 178.226 176.094 0.086 0.000 1.055 116 V CA 1.798 64.143 62.300 0.075 0.000 1.065 116 V CB -0.592 31.299 31.823 0.114 0.000 0.681 116 V HN 0.424 nan 8.190 nan 0.000 0.462 117 Y N 1.257 121.539 120.300 -0.031 0.000 2.516 117 Y HA 0.082 4.632 4.550 0.000 0.000 0.291 117 Y C 2.143 177.968 175.900 -0.125 0.000 1.131 117 Y CA 0.975 59.046 58.100 -0.048 0.000 1.281 117 Y CB -0.105 38.340 38.460 -0.024 0.000 1.013 117 Y HN 0.217 nan 8.280 nan 0.000 0.554 118 G N -0.160 108.716 108.800 0.127 0.000 2.426 118 G HA2 -0.158 3.802 3.960 0.000 0.000 0.214 118 G HA3 -0.158 3.802 3.960 0.000 0.000 0.214 118 G C 1.318 176.152 174.900 -0.111 0.000 1.156 118 G CA 0.411 45.480 45.100 -0.051 0.000 0.802 118 G HN 0.431 nan 8.290 nan 0.000 0.534 119 Q N 0.171 119.931 119.800 -0.067 0.000 2.170 119 Q HA -0.043 4.297 4.340 0.000 0.000 0.203 119 Q C 2.484 178.438 176.000 -0.077 0.000 0.976 119 Q CA 1.081 56.849 55.803 -0.058 0.000 0.858 119 Q CB -0.070 28.654 28.738 -0.023 0.000 0.907 119 Q HN 0.408 nan 8.270 nan 0.000 0.433 120 K N 0.373 120.706 120.400 -0.112 0.000 2.057 120 K HA -0.085 4.235 4.320 0.000 0.000 0.206 120 K C 1.987 178.488 176.600 -0.165 0.000 1.050 120 K CA 0.975 57.184 56.287 -0.131 0.000 0.935 120 K CB -0.022 32.376 32.500 -0.170 0.000 0.715 120 K HN 0.196 nan 8.250 nan 0.000 0.439 121 I N 0.715 121.116 120.570 -0.281 0.000 2.286 121 I HA -0.255 3.915 4.170 0.000 0.000 0.248 121 I C 2.176 178.187 176.117 -0.176 0.000 1.115 121 I CA 0.948 62.034 61.300 -0.357 0.000 1.392 121 I CB -0.208 37.403 38.000 -0.649 0.000 1.065 121 I HN -0.062 nan 8.210 nan 0.000 0.418 122 V N 1.153 120.989 119.914 -0.130 0.000 2.343 122 V HA -0.312 3.808 4.120 0.000 0.000 0.247 122 V C 2.542 178.638 176.094 0.002 0.000 1.051 122 V CA 1.983 64.250 62.300 -0.055 0.000 1.036 122 V CB -0.668 31.125 31.823 -0.051 0.000 0.654 122 V HN 0.438 nan 8.190 nan 0.000 0.451 123 K N -0.010 120.388 120.400 -0.002 0.000 2.057 123 K HA -0.161 4.159 4.320 0.000 0.000 0.207 123 K C 2.008 178.666 176.600 0.097 0.000 1.049 123 K CA 1.711 58.023 56.287 0.041 0.000 0.931 123 K CB -0.150 32.358 32.500 0.012 0.000 0.714 123 K HN 0.344 nan 8.250 nan 0.000 0.440 124 V N 1.519 121.478 119.914 0.076 0.000 2.358 124 V HA -0.256 3.864 4.120 0.000 0.000 0.246 124 V C 2.365 178.592 176.094 0.222 0.000 1.047 124 V CA 1.893 64.284 62.300 0.151 0.000 1.035 124 V CB -0.386 31.531 31.823 0.156 0.000 0.658 124 V HN 0.391 nan 8.190 nan 0.000 0.452 125 M N -0.364 119.329 119.600 0.156 0.000 2.175 125 M HA -0.146 4.335 4.480 0.000 0.000 0.264 125 M C 1.915 178.303 176.300 0.148 0.000 1.063 125 M CA 1.626 57.020 55.300 0.157 0.000 1.119 125 M CB -0.603 32.064 32.600 0.111 0.000 1.377 125 M HN 0.280 nan 8.290 nan 0.000 0.415 126 D N 0.203 120.683 120.400 0.134 0.000 2.144 126 D HA -0.123 4.517 4.640 0.000 0.000 0.200 126 D C 1.646 178.027 176.300 0.134 0.000 0.978 126 D CA 1.096 55.166 54.000 0.116 0.000 0.833 126 D CB -0.279 40.580 40.800 0.099 0.000 0.961 126 D HN 0.254 nan 8.370 nan 0.000 0.470 127 F N 1.550 121.523 119.950 0.040 0.000 2.102 127 F HA -0.128 4.399 4.527 0.000 0.000 0.298 127 F C 2.179 177.995 175.800 0.026 0.000 1.105 127 F CA 1.562 59.579 58.000 0.028 0.000 1.239 127 F CB -0.190 38.835 39.000 0.042 0.000 0.991 127 F HN -0.059 nan 8.300 nan 0.000 0.474 128 A N -0.071 122.854 122.820 0.174 0.000 1.930 128 A HA -0.129 4.191 4.320 0.000 0.000 0.217 128 A C 2.049 179.628 177.584 -0.009 0.000 1.175 128 A CA 1.594 53.674 52.037 0.072 0.000 0.627 128 A CB -1.086 18.016 19.000 0.169 0.000 0.815 128 A HN 0.453 nan 8.150 nan 0.000 0.443 129 L N -0.072 121.167 121.223 0.026 0.000 2.109 129 L HA -0.058 4.282 4.340 0.000 0.000 0.207 129 L C 2.330 179.179 176.870 -0.036 0.000 1.086 129 L CA 2.304 57.158 54.840 0.023 0.000 0.760 129 L CB -0.477 41.619 42.059 0.062 0.000 0.910 129 L HN 0.489 nan 8.230 nan 0.000 0.437 130 K N -1.147 119.202 120.400 -0.085 0.000 2.057 130 K HA -0.156 4.164 4.320 0.000 0.000 0.207 130 K C 1.643 178.125 176.600 -0.197 0.000 1.049 130 K CA 1.888 58.097 56.287 -0.131 0.000 0.931 130 K CB -0.096 32.313 32.500 -0.152 0.000 0.714 130 K HN 0.522 nan 8.250 nan 0.000 0.440 131 T N -3.446 110.919 114.554 -0.316 0.000 3.060 131 T HA 0.208 4.558 4.350 0.000 0.000 0.249 131 T C 0.915 175.510 174.700 -0.174 0.000 1.079 131 T CA 0.309 62.223 62.100 -0.310 0.000 1.013 131 T CB 0.412 68.963 68.868 -0.528 0.000 0.975 131 T HN 0.352 nan 8.240 nan 0.000 0.518 132 G N 1.471 110.202 108.800 -0.115 0.000 2.326 132 G HA2 -0.172 3.788 3.960 0.000 0.000 0.286 132 G HA3 -0.172 3.788 3.960 0.000 0.000 0.286 132 G C 0.151 175.035 174.900 -0.027 0.000 1.096 132 G CA -0.122 44.953 45.100 -0.042 0.000 1.003 132 G HN 1.382 nan 8.290 nan 0.000 0.503 133 C N -2.284 117.006 119.300 -0.017 0.000 2.913 133 C HA 1.001 5.461 4.460 0.000 0.000 0.322 133 C C -2.237 172.776 174.990 0.039 0.000 1.292 133 C CA -2.600 56.423 59.018 0.009 0.000 1.649 133 C CB 1.771 29.523 27.740 0.021 0.000 2.139 133 C HN 0.272 nan 8.230 nan 0.000 0.475 134 P HA 0.392 nan 4.420 nan 0.000 0.272 134 P C -0.996 176.351 177.300 0.078 0.000 1.230 134 P CA -0.149 62.966 63.100 0.026 0.000 0.788 134 P CB 0.539 32.225 31.700 -0.023 0.000 0.949 135 V N 2.451 122.418 119.914 0.089 0.000 2.487 135 V HA 0.283 4.403 4.120 0.000 0.000 0.298 135 V C -0.199 175.937 176.094 0.070 0.000 1.028 135 V CA -0.570 61.804 62.300 0.124 0.000 0.860 135 V CB 2.066 34.002 31.823 0.190 0.000 0.991 135 V HN 0.183 nan 8.190 nan 0.000 0.427 136 V N 3.951 123.870 119.914 0.009 0.000 2.384 136 V HA 0.742 4.862 4.120 0.000 0.000 0.287 136 V C 0.647 176.561 176.094 -0.299 0.000 1.020 136 V CA -0.288 61.964 62.300 -0.080 0.000 0.850 136 V CB 1.739 33.520 31.823 -0.071 0.000 0.987 136 V HN 0.947 nan 8.190 nan 0.000 0.436 137 G N 5.075 113.618 108.800 -0.427 0.000 2.372 137 G HA2 0.723 4.683 3.960 0.000 0.000 0.323 137 G HA3 0.723 4.683 3.960 0.000 0.000 0.323 137 G C -0.798 173.721 174.900 -0.634 0.000 1.152 137 G CA -0.523 43.869 45.100 -1.181 0.000 0.906 137 G HN 0.633 nan 8.290 nan 0.000 0.460 138 I N 2.114 122.301 120.570 -0.638 0.000 2.354 138 I HA 0.204 4.374 4.170 0.000 0.000 0.286 138 I C -0.734 175.358 176.117 -0.043 0.000 1.007 138 I CA -0.800 60.369 61.300 -0.217 0.000 1.167 138 I CB 1.548 39.454 38.000 -0.157 0.000 1.320 138 I HN 0.342 nan 8.210 nan 0.000 0.458 139 N N 5.025 123.755 118.700 0.049 0.000 2.421 139 N HA 0.456 5.196 4.740 0.000 0.000 0.285 139 N C -0.905 174.683 175.510 0.131 0.000 1.027 139 N CA -0.508 52.640 53.050 0.164 0.000 0.918 139 N CB 1.281 39.871 38.487 0.171 0.000 1.152 139 N HN 0.443 nan 8.380 nan 0.000 0.485 140 D N 0.653 121.165 120.400 0.186 0.000 2.668 140 D HA 0.126 4.766 4.640 0.000 0.000 0.234 140 D C -1.693 174.795 176.300 0.313 0.000 1.349 140 D CA -0.110 53.996 54.000 0.176 0.000 0.889 140 D CB 0.276 41.159 40.800 0.140 0.000 1.520 140 D HN 0.338 nan 8.370 nan 0.000 0.521 141 S N 0.606 116.470 115.700 0.273 0.000 2.548 141 S HA 0.613 5.083 4.470 0.000 0.000 0.276 141 S C 1.161 175.892 174.600 0.217 0.000 1.129 141 S CA -0.020 58.328 58.200 0.246 0.000 0.931 141 S CB 1.388 64.673 63.200 0.140 0.000 1.068 141 S HN 0.257 nan 8.310 nan 0.000 0.480 142 G N 2.087 111.007 108.800 0.200 0.000 2.509 142 G HA2 0.452 4.412 3.960 0.000 0.000 0.218 142 G HA3 0.452 4.412 3.960 0.000 0.000 0.218 142 G C 0.909 175.858 174.900 0.083 0.000 1.124 142 G CA 0.565 45.765 45.100 0.166 0.000 0.776 142 G HN 1.591 nan 8.290 nan 0.000 0.547 143 G N -1.372 107.465 108.800 0.061 0.000 2.291 143 G HA2 0.499 4.459 3.960 0.000 0.000 0.249 143 G HA3 0.499 4.459 3.960 0.000 0.000 0.249 143 G C -0.512 174.447 174.900 0.099 0.000 1.340 143 G CA -0.186 44.962 45.100 0.080 0.000 1.017 143 G HN 1.025 nan 8.290 nan 0.000 0.470 144 A N -0.154 122.749 122.820 0.140 0.000 2.371 144 A HA 0.701 5.021 4.320 0.000 0.000 0.257 144 A C 0.770 178.332 177.584 -0.036 0.000 1.089 144 A CA 0.223 52.322 52.037 0.103 0.000 0.794 144 A CB 0.400 19.526 19.000 0.210 0.000 1.029 144 A HN 0.876 nan 8.150 nan 0.000 0.488 145 R N 2.473 122.898 120.500 -0.125 0.000 2.351 145 R HA 0.210 4.550 4.340 0.000 0.000 0.321 145 R C 0.176 176.393 176.300 -0.138 0.000 1.182 145 R CA -0.361 55.634 56.100 -0.175 0.000 1.011 145 R CB -0.383 29.758 30.300 -0.265 0.000 1.048 145 R HN 0.716 nan 8.270 nan 0.000 0.490 146 I N 3.275 123.776 120.570 -0.114 0.000 2.185 146 I HA -0.382 3.788 4.170 0.000 0.000 0.246 146 I C 2.039 178.102 176.117 -0.090 0.000 1.088 146 I CA 1.566 62.806 61.300 -0.100 0.000 1.347 146 I CB -0.302 37.620 38.000 -0.132 0.000 1.041 146 I HN 0.589 nan 8.210 nan 0.000 0.415 147 Q N 0.501 120.236 119.800 -0.110 0.000 2.197 147 Q HA -0.207 4.133 4.340 0.000 0.000 0.207 147 Q C 1.955 177.984 176.000 0.049 0.000 0.984 147 Q CA 1.504 57.323 55.803 0.026 0.000 0.869 147 Q CB -0.409 28.296 28.738 -0.056 0.000 0.906 147 Q HN 0.588 nan 8.270 nan 0.000 0.426 148 E N -0.266 119.899 120.200 -0.058 0.000 2.502 148 E HA 0.100 4.450 4.350 0.000 0.000 0.194 148 E C 0.973 177.570 176.600 -0.005 0.000 1.062 148 E CA 0.127 56.499 56.400 -0.047 0.000 0.867 148 E CB -0.041 29.597 29.700 -0.104 0.000 0.888 148 E HN 0.391 nan 8.360 nan 0.000 0.510 149 G N 1.322 110.135 108.800 0.021 0.000 2.594 149 G HA2 -0.432 3.528 3.960 0.000 0.000 0.297 149 G HA3 -0.432 3.528 3.960 0.000 0.000 0.297 149 G C 1.168 176.082 174.900 0.023 0.000 1.273 149 G CA 0.986 46.108 45.100 0.037 0.000 0.974 149 G HN 0.405 nan 8.290 nan 0.000 0.552 150 V N -1.628 118.304 119.914 0.029 0.000 2.688 150 V HA 0.135 4.255 4.120 0.000 0.000 0.256 150 V C 3.105 179.208 176.094 0.014 0.000 1.084 150 V CA 2.805 65.123 62.300 0.029 0.000 1.103 150 V CB -1.589 30.252 31.823 0.030 0.000 0.688 150 V HN 2.164 nan 8.190 nan 0.000 0.480 151 A N 0.527 123.346 122.820 -0.002 0.000 1.972 151 A HA -0.128 4.192 4.320 0.000 0.000 0.219 151 A C 2.446 179.999 177.584 -0.051 0.000 1.169 151 A CA 2.166 54.190 52.037 -0.022 0.000 0.635 151 A CB -0.800 18.186 19.000 -0.024 0.000 0.810 151 A HN 0.601 nan 8.150 nan 0.000 0.446 152 S N -0.119 115.547 115.700 -0.057 0.000 2.387 152 S HA -0.032 4.438 4.470 0.000 0.000 0.226 152 S C 1.783 176.334 174.600 -0.080 0.000 1.026 152 S CA 1.287 59.414 58.200 -0.122 0.000 0.972 152 S CB -0.383 62.760 63.200 -0.095 0.000 0.814 152 S HN 0.550 nan 8.310 nan 0.000 0.477 153 L N 0.993 122.255 121.223 0.064 0.000 2.056 153 L HA -0.016 4.324 4.340 0.000 0.000 0.207 153 L C 2.792 179.713 176.870 0.086 0.000 1.078 153 L CA 1.215 56.162 54.840 0.177 0.000 0.749 153 L CB -1.264 40.878 42.059 0.139 0.000 0.901 153 L HN 0.402 nan 8.230 nan 0.000 0.433 154 G N -0.069 108.742 108.800 0.019 0.000 2.422 154 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 154 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 154 G C 1.796 176.657 174.900 -0.064 0.000 1.146 154 G CA 0.862 45.957 45.100 -0.009 0.000 0.769 154 G HN 0.458 nan 8.290 nan 0.000 0.547 155 A N 0.078 122.827 122.820 -0.118 0.000 1.902 155 A HA 0.019 4.339 4.320 0.000 0.000 0.217 155 A C 2.218 179.643 177.584 -0.264 0.000 1.181 155 A CA 1.497 53.419 52.037 -0.191 0.000 0.623 155 A CB -0.623 18.228 19.000 -0.249 0.000 0.818 155 A HN 0.354 nan 8.150 nan 0.000 0.443 156 Y N 0.245 120.370 120.300 -0.292 0.000 2.165 156 Y HA -0.105 4.445 4.550 0.000 0.000 0.286 156 Y C 2.802 178.104 175.900 -0.997 0.000 1.155 156 Y CA 0.909 58.629 58.100 -0.633 0.000 1.164 156 Y CB -1.070 37.082 38.460 -0.514 0.000 0.978 156 Y HN 0.312 nan 8.280 nan 0.000 0.513 157 G N -0.409 108.203 108.800 -0.314 0.000 2.418 157 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 157 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 157 G C 1.606 176.439 174.900 -0.112 0.000 1.158 157 G CA 0.918 45.938 45.100 -0.134 0.000 0.771 157 G HN 0.285 nan 8.290 nan 0.000 0.545 158 E N 0.365 120.489 120.200 -0.126 0.000 2.110 158 E HA -0.067 4.283 4.350 0.000 0.000 0.193 158 E C 2.577 179.117 176.600 -0.099 0.000 0.988 158 E CA 0.547 56.893 56.400 -0.090 0.000 0.804 158 E CB -0.117 29.535 29.700 -0.081 0.000 0.745 158 E HN 0.538 nan 8.360 nan 0.000 0.458 159 I N 0.312 120.781 120.570 -0.168 0.000 2.233 159 I HA -0.227 3.943 4.170 0.000 0.000 0.243 159 I C 2.120 178.261 176.117 0.041 0.000 1.093 159 I CA 0.735 61.972 61.300 -0.106 0.000 1.380 159 I CB -0.325 37.579 38.000 -0.160 0.000 1.067 159 I HN -0.037 nan 8.210 nan 0.000 0.413 160 F N 1.094 121.075 119.950 0.052 0.000 2.161 160 F HA -0.210 4.317 4.527 0.000 0.000 0.300 160 F C 2.661 178.440 175.800 -0.036 0.000 1.089 160 F CA 1.276 59.295 58.000 0.033 0.000 1.282 160 F CB -1.178 37.845 39.000 0.038 0.000 1.010 160 F HN 0.013 nan 8.300 nan 0.000 0.485 161 R N 0.107 120.659 120.500 0.087 0.000 2.081 161 R HA -0.146 4.194 4.340 0.000 0.000 0.235 161 R C 2.326 178.458 176.300 -0.280 0.000 1.131 161 R CA 1.244 57.255 56.100 -0.148 0.000 0.960 161 R CB -0.061 30.118 30.300 -0.201 0.000 0.856 161 R HN 0.008 nan 8.270 nan 0.000 0.436 162 R N 0.273 120.707 120.500 -0.110 0.000 2.092 162 R HA 0.002 4.342 4.340 0.000 0.000 0.231 162 R C 1.841 178.181 176.300 0.067 0.000 1.119 162 R CA 1.890 57.975 56.100 -0.025 0.000 0.970 162 R CB -0.453 29.862 30.300 0.025 0.000 0.864 162 R HN 0.410 nan 8.270 nan 0.000 0.440 163 N N -1.233 117.530 118.700 0.104 0.000 2.104 163 N HA -0.150 4.590 4.740 0.000 0.000 0.190 163 N C 1.240 176.824 175.510 0.123 0.000 1.024 163 N CA 1.806 54.943 53.050 0.145 0.000 0.853 163 N CB -0.040 38.563 38.487 0.194 0.000 1.008 163 N HN 0.166 nan 8.380 nan 0.000 0.424 164 T N -0.496 114.115 114.554 0.094 0.000 2.812 164 T HA -0.069 4.281 4.350 0.000 0.000 0.264 164 T C 1.378 176.197 174.700 0.199 0.000 1.042 164 T CA 0.970 63.134 62.100 0.106 0.000 1.140 164 T CB -0.359 68.558 68.868 0.081 0.000 0.870 164 T HN 0.411 nan 8.240 nan 0.000 0.445 165 H N 0.531 119.636 119.070 0.058 0.000 2.389 165 H HA 0.132 4.688 4.556 0.000 0.000 0.299 165 H C 2.343 177.705 175.328 0.056 0.000 1.081 165 H CA 0.682 56.760 56.048 0.049 0.000 1.345 165 H CB 0.064 29.856 29.762 0.051 0.000 1.393 165 H HN 0.342 nan 8.280 nan 0.000 0.520 166 A N 0.767 123.709 122.820 0.204 0.000 2.208 166 A HA -0.005 4.315 4.320 0.000 0.000 0.209 166 A C 1.246 178.925 177.584 0.158 0.000 1.161 166 A CA -0.008 52.127 52.037 0.164 0.000 0.782 166 A CB 0.009 19.107 19.000 0.162 0.000 0.816 166 A HN 0.184 nan 8.150 nan 0.000 0.477 167 S N 0.120 115.900 115.700 0.133 0.000 2.509 167 S HA 0.383 4.853 4.470 0.000 0.000 0.287 167 S C 1.357 175.984 174.600 0.046 0.000 1.248 167 S CA 0.807 59.071 58.200 0.107 0.000 1.089 167 S CB -0.360 62.880 63.200 0.067 0.000 0.900 167 S HN 1.787 nan 8.310 nan 0.000 0.496 168 G N 3.030 111.852 108.800 0.037 0.000 2.159 168 G HA2 -0.227 3.733 3.960 0.000 0.000 0.256 168 G HA3 -0.227 3.733 3.960 0.000 0.000 0.256 168 G C 0.524 175.257 174.900 -0.277 0.000 0.977 168 G CA 0.316 45.224 45.100 -0.321 0.000 0.652 168 G HN 0.794 nan 8.290 nan 0.000 0.531 169 V N 0.282 120.236 119.914 0.066 0.000 2.743 169 V HA 0.431 4.551 4.120 0.000 0.000 0.237 169 V C 1.209 177.504 176.094 0.336 0.000 1.113 169 V CA 1.694 64.070 62.300 0.127 0.000 1.141 169 V CB 0.162 32.045 31.823 0.100 0.000 0.873 169 V HN 0.703 nan 8.190 nan 0.000 0.486 170 I N -1.794 118.996 120.570 0.367 0.000 2.608 170 I HA 0.613 4.783 4.170 0.000 0.000 0.295 170 I C -3.093 173.154 176.117 0.216 0.000 1.049 170 I CA -2.697 58.770 61.300 0.278 0.000 1.063 170 I CB 2.063 40.149 38.000 0.143 0.000 1.248 170 I HN -0.042 nan 8.210 nan 0.000 0.424 171 P HA 0.146 nan 4.420 nan 0.000 0.268 171 P C -1.354 175.943 177.300 -0.005 0.000 1.204 171 P CA 0.108 63.032 63.100 -0.293 0.000 0.768 171 P CB 0.452 31.877 31.700 -0.460 0.000 0.842 172 Q N 2.538 122.385 119.800 0.078 0.000 2.309 172 Q HA 0.543 4.883 4.340 0.000 0.000 0.270 172 Q C -0.681 175.402 176.000 0.138 0.000 1.023 172 Q CA -0.398 55.478 55.803 0.121 0.000 0.758 172 Q CB 1.840 30.672 28.738 0.156 0.000 1.247 172 Q HN 0.411 nan 8.270 nan 0.000 0.455 173 I N 1.219 121.861 120.570 0.121 0.000 2.433 173 I HA 0.371 4.541 4.170 0.000 0.000 0.292 173 I C -0.341 175.837 176.117 0.101 0.000 1.001 173 I CA -0.685 60.704 61.300 0.147 0.000 1.119 173 I CB 2.170 40.243 38.000 0.122 0.000 1.289 173 I HN 0.427 nan 8.210 nan 0.000 0.438 174 S N 6.343 122.123 115.700 0.134 0.000 2.456 174 S HA 0.486 4.957 4.470 0.000 0.000 0.316 174 S C -0.656 173.996 174.600 0.087 0.000 1.089 174 S CA -0.445 57.812 58.200 0.095 0.000 1.101 174 S CB 1.298 64.576 63.200 0.132 0.000 0.995 174 S HN 0.373 nan 8.310 nan 0.000 0.468 175 L N 5.733 126.970 121.223 0.023 0.000 2.280 175 L HA 0.595 4.935 4.340 0.000 0.000 0.287 175 L C -1.066 175.815 176.870 0.018 0.000 1.023 175 L CA -0.354 54.504 54.840 0.029 0.000 0.819 175 L CB 0.947 43.004 42.059 -0.004 0.000 1.212 175 L HN 0.402 nan 8.230 nan 0.000 0.420 176 V N 6.348 126.280 119.914 0.030 0.000 2.328 176 V HA 0.325 4.445 4.120 0.000 0.000 0.278 176 V C 0.525 176.620 176.094 0.002 0.000 1.021 176 V CA -0.185 62.128 62.300 0.023 0.000 0.838 176 V CB 1.300 33.134 31.823 0.019 0.000 0.999 176 V HN 0.645 nan 8.190 nan 0.000 0.447 177 V N 1.666 121.580 119.914 -0.001 0.000 2.991 177 V HA 0.894 5.014 4.120 0.000 0.000 0.355 177 V C 0.476 176.547 176.094 -0.040 0.000 1.384 177 V CA 0.493 62.780 62.300 -0.023 0.000 1.171 177 V CB -0.041 31.769 31.823 -0.022 0.000 1.190 177 V HN 0.916 nan 8.190 nan 0.000 0.540 178 G N 0.119 108.905 108.800 -0.024 0.000 2.500 178 G HA2 0.551 4.511 3.960 0.000 0.000 0.299 178 G HA3 0.551 4.511 3.960 0.000 0.000 0.299 178 G C -3.568 171.340 174.900 0.013 0.000 1.242 178 G CA -0.794 44.272 45.100 -0.057 0.000 0.859 178 G HN 0.126 nan 8.290 nan 0.000 0.481 179 P HA 0.483 nan 4.420 nan 0.000 0.274 179 P C -0.808 176.491 177.300 -0.001 0.000 1.231 179 P CA -0.249 62.872 63.100 0.035 0.000 0.790 179 P CB 1.519 33.253 31.700 0.057 0.000 0.951 180 C N 2.946 122.166 119.300 -0.132 0.000 3.027 180 C HA 0.764 5.224 4.460 0.000 0.000 0.350 180 C C -0.668 174.069 174.990 -0.422 0.000 1.042 180 C CA 0.030 58.958 59.018 -0.149 0.000 1.350 180 C CB -0.976 26.715 27.740 -0.082 0.000 1.809 180 C HN 0.661 nan 8.230 nan 0.000 0.513 181 A N 4.104 126.677 122.820 -0.411 0.000 2.380 181 A HA 0.990 5.310 4.320 0.000 0.000 0.315 181 A C 0.515 177.931 177.584 -0.279 0.000 1.101 181 A CA 0.631 52.317 52.037 -0.586 0.000 0.771 181 A CB 1.002 19.678 19.000 -0.540 0.000 1.287 181 A HN 2.663 nan 8.150 nan 0.000 0.436 182 G N 0.320 108.986 108.800 -0.223 0.000 2.645 182 G HA2 0.160 4.120 3.960 0.000 0.000 0.239 182 G HA3 0.160 4.120 3.960 0.000 0.000 0.239 182 G C 1.139 175.856 174.900 -0.305 0.000 1.331 182 G CA 0.389 45.385 45.100 -0.174 0.000 0.890 182 G HN 2.088 nan 8.290 nan 0.000 0.572 183 G N -0.168 108.460 108.800 -0.288 0.000 2.501 183 G HA2 0.231 4.191 3.960 0.000 0.000 0.220 183 G HA3 0.231 4.191 3.960 0.000 0.000 0.220 183 G C 2.062 176.781 174.900 -0.301 0.000 1.114 183 G CA 2.593 47.509 45.100 -0.307 0.000 0.757 183 G HN 2.006 nan 8.290 nan 0.000 0.559 184 A N 0.731 123.295 122.820 -0.426 0.000 2.032 184 A HA -0.034 4.286 4.320 0.000 0.000 0.221 184 A C 2.673 180.239 177.584 -0.030 0.000 1.165 184 A CA 2.205 54.108 52.037 -0.224 0.000 0.645 184 A CB -0.678 18.281 19.000 -0.068 0.000 0.807 184 A HN 0.977 nan 8.150 nan 0.000 0.453 185 V N -4.087 115.695 119.914 -0.220 0.000 2.720 185 V HA -0.229 3.891 4.120 0.000 0.000 0.256 185 V C 2.096 178.117 176.094 -0.122 0.000 1.082 185 V CA 1.721 63.894 62.300 -0.212 0.000 1.101 185 V CB -1.455 30.158 31.823 -0.350 0.000 0.693 185 V HN 0.517 nan 8.190 nan 0.000 0.479 186 Y N 1.082 121.305 120.300 -0.128 0.000 2.509 186 Y HA 0.032 4.582 4.550 0.000 0.000 0.293 186 Y C 3.013 178.822 175.900 -0.152 0.000 1.133 186 Y CA 0.842 58.781 58.100 -0.268 0.000 1.283 186 Y CB -0.874 37.207 38.460 -0.630 0.000 1.001 186 Y HN 0.396 nan 8.280 nan 0.000 0.555 187 S N 0.089 115.961 115.700 0.286 0.000 2.345 187 S HA -0.058 4.412 4.470 0.000 0.000 0.219 187 S C -0.449 174.294 174.600 0.239 0.000 1.031 187 S CA 0.996 59.426 58.200 0.384 0.000 0.984 187 S CB -1.017 62.487 63.200 0.508 0.000 0.874 187 S HN 0.172 nan 8.310 nan 0.000 0.451 188 P HA 0.030 nan 4.420 nan 0.000 0.218 188 P C 1.438 178.809 177.300 0.118 0.000 1.148 188 P CA 1.479 64.671 63.100 0.155 0.000 0.822 188 P CB -0.221 31.546 31.700 0.112 0.000 0.784 189 A N -0.563 122.312 122.820 0.091 0.000 1.908 189 A HA -0.209 4.111 4.320 0.000 0.000 0.218 189 A C 2.134 179.755 177.584 0.063 0.000 1.181 189 A CA 1.648 53.727 52.037 0.070 0.000 0.627 189 A CB -1.651 17.405 19.000 0.094 0.000 0.818 189 A HN 0.156 nan 8.150 nan 0.000 0.445 190 I N 0.390 120.999 120.570 0.066 0.000 2.546 190 I HA -0.095 4.075 4.170 0.000 0.000 0.255 190 I C 1.548 177.710 176.117 0.076 0.000 1.163 190 I CA 0.781 62.112 61.300 0.051 0.000 1.457 190 I CB -0.613 37.419 38.000 0.053 0.000 1.092 190 I HN 0.441 nan 8.210 nan 0.000 0.434 191 T N -1.615 113.003 114.554 0.107 0.000 2.795 191 T HA -0.026 4.324 4.350 0.000 0.000 0.314 191 T C 0.913 175.638 174.700 0.041 0.000 1.069 191 T CA -0.439 61.727 62.100 0.109 0.000 1.071 191 T CB 0.789 69.744 68.868 0.145 0.000 0.988 191 T HN 0.113 nan 8.240 nan 0.000 0.543 192 D N 0.258 120.659 120.400 0.001 0.000 2.117 192 D HA 0.040 4.680 4.640 0.000 0.000 0.198 192 D C 0.052 175.900 176.300 -0.752 0.000 0.982 192 D CA 1.378 55.221 54.000 -0.262 0.000 0.828 192 D CB -0.052 40.678 40.800 -0.117 0.000 0.967 192 D HN 0.529 nan 8.370 nan 0.000 0.464 193 F N -0.487 119.414 119.950 -0.082 0.000 2.591 193 F HA 0.317 4.844 4.527 0.000 0.000 0.309 193 F C -0.153 175.703 175.800 0.093 0.000 1.098 193 F CA -0.761 57.082 58.000 -0.262 0.000 0.937 193 F CB 2.405 41.343 39.000 -0.102 0.000 1.250 193 F HN -0.489 nan 8.300 nan 0.000 0.447 194 T N 2.486 117.363 114.554 0.538 0.000 2.840 194 T HA 0.506 4.856 4.350 0.000 0.000 0.287 194 T C -1.404 173.492 174.700 0.327 0.000 0.991 194 T CA -0.579 61.736 62.100 0.359 0.000 0.964 194 T CB 1.660 70.682 68.868 0.256 0.000 0.954 194 T HN 0.471 nan 8.240 nan 0.000 0.438 195 V N 5.965 126.010 119.914 0.220 0.000 2.417 195 V HA 0.704 4.824 4.120 0.000 0.000 0.291 195 V C -0.735 175.399 176.094 0.065 0.000 1.024 195 V CA -0.651 61.741 62.300 0.154 0.000 0.861 195 V CB 1.220 33.162 31.823 0.198 0.000 0.985 195 V HN 0.888 nan 8.190 nan 0.000 0.436 196 M N 5.365 124.963 119.600 -0.004 0.000 2.762 196 M HA 0.641 5.121 4.480 0.000 0.000 0.306 196 M C -1.160 175.090 176.300 -0.084 0.000 1.223 196 M CA -1.005 54.271 55.300 -0.040 0.000 0.896 196 M CB 2.319 34.891 32.600 -0.047 0.000 1.684 196 M HN 0.380 nan 8.290 nan 0.000 0.491 197 V N 0.697 120.560 119.914 -0.086 0.000 2.409 197 V HA 0.175 4.295 4.120 0.000 0.000 0.291 197 V C -0.617 175.405 176.094 -0.120 0.000 1.020 197 V CA -0.816 61.427 62.300 -0.096 0.000 0.848 197 V CB 1.524 33.307 31.823 -0.067 0.000 0.990 197 V HN 0.748 nan 8.190 nan 0.000 0.430 198 D N 4.616 124.941 120.400 -0.125 0.000 2.583 198 D HA -0.018 4.622 4.640 0.000 0.000 0.232 198 D C 1.103 177.342 176.300 -0.102 0.000 1.128 198 D CA 1.032 54.962 54.000 -0.118 0.000 0.859 198 D CB 0.591 41.329 40.800 -0.103 0.000 1.169 198 D HN 0.634 nan 8.370 nan 0.000 0.481 199 Q N 1.216 120.947 119.800 -0.115 0.000 2.224 199 Q HA -0.260 4.080 4.340 0.000 0.000 0.189 199 Q C 0.889 176.863 176.000 -0.043 0.000 0.639 199 Q CA 1.962 57.723 55.803 -0.069 0.000 1.436 199 Q CB -2.352 26.370 28.738 -0.026 0.000 1.626 199 Q HN 0.752 nan 8.270 nan 0.000 0.768 200 T N -3.322 111.178 114.554 -0.091 0.000 3.170 200 T HA 0.385 4.735 4.350 0.000 0.000 0.288 200 T C 0.277 174.944 174.700 -0.056 0.000 0.992 200 T CA 0.460 62.536 62.100 -0.039 0.000 0.909 200 T CB 0.518 69.356 68.868 -0.051 0.000 1.133 200 T HN 0.300 nan 8.240 nan 0.000 0.530 201 S N 0.494 116.080 115.700 -0.190 0.000 2.549 201 S HA 0.786 5.256 4.470 0.000 0.000 0.280 201 S C -1.641 172.752 174.600 -0.346 0.000 1.109 201 S CA -0.774 57.350 58.200 -0.125 0.000 0.905 201 S CB 1.634 64.781 63.200 -0.088 0.000 1.081 201 S HN 0.446 nan 8.310 nan 0.000 0.477 202 H N 0.451 119.573 119.070 0.087 0.000 2.974 202 H HA 0.642 5.198 4.556 0.000 0.000 0.366 202 H C -1.014 174.420 175.328 0.176 0.000 1.155 202 H CA -0.571 55.610 56.048 0.222 0.000 1.186 202 H CB 1.753 31.723 29.762 0.348 0.000 1.799 202 H HN 0.634 nan 8.280 nan 0.000 0.541 203 M N 3.356 123.191 119.600 0.392 0.000 2.327 203 M HA 0.533 5.013 4.480 0.000 0.000 0.298 203 M C -1.689 174.820 176.300 0.348 0.000 1.065 203 M CA -0.770 54.584 55.300 0.092 0.000 0.916 203 M CB 1.965 34.450 32.600 -0.191 0.000 1.630 203 M HN 0.598 nan 8.290 nan 0.000 0.442 204 F N 0.639 120.664 119.950 0.125 0.000 2.669 204 F HA 0.452 4.979 4.527 0.000 0.000 0.315 204 F C -0.413 175.391 175.800 0.006 0.000 1.109 204 F CA -1.070 56.995 58.000 0.108 0.000 1.028 204 F CB 0.386 39.481 39.000 0.160 0.000 1.287 204 F HN 0.446 nan 8.300 nan 0.000 0.452 205 I N 1.316 121.952 120.570 0.109 0.000 2.406 205 I HA 0.153 4.323 4.170 0.000 0.000 0.249 205 I C 0.431 176.618 176.117 0.117 0.000 1.122 205 I CA 1.379 62.664 61.300 -0.026 0.000 1.431 205 I CB -0.012 37.934 38.000 -0.089 0.000 1.087 205 I HN 0.708 nan 8.210 nan 0.000 0.424 206 T N 0.917 115.608 114.554 0.229 0.000 2.848 206 T HA 0.630 4.980 4.350 0.000 0.000 0.285 206 T C 0.031 174.849 174.700 0.196 0.000 0.995 206 T CA -0.354 61.859 62.100 0.189 0.000 0.970 206 T CB 1.353 70.266 68.868 0.075 0.000 0.976 206 T HN 0.310 nan 8.240 nan 0.000 0.441 207 G N 2.618 111.506 108.800 0.146 0.000 2.569 207 G HA2 0.351 4.311 3.960 0.000 0.000 0.249 207 G HA3 0.351 4.311 3.960 0.000 0.000 0.249 207 G C -1.623 173.109 174.900 -0.280 0.000 1.216 207 G CA -1.302 43.713 45.100 -0.142 0.000 0.845 207 G HN 0.404 nan 8.290 nan 0.000 0.568 208 P HA -0.093 nan 4.420 nan 0.000 0.216 208 P C 1.218 178.358 177.300 -0.268 0.000 1.150 208 P CA 1.099 63.925 63.100 -0.457 0.000 0.837 208 P CB 0.274 31.532 31.700 -0.735 0.000 0.786 209 D N -1.010 119.260 120.400 -0.216 0.000 2.144 209 D HA -0.085 4.555 4.640 0.000 0.000 0.200 209 D C 1.979 178.232 176.300 -0.078 0.000 0.978 209 D CA 1.015 54.944 54.000 -0.118 0.000 0.833 209 D CB -0.532 40.226 40.800 -0.070 0.000 0.961 209 D HN 0.028 nan 8.370 nan 0.000 0.470 210 V N 1.389 121.264 119.914 -0.065 0.000 2.453 210 V HA -0.168 3.952 4.120 0.000 0.000 0.247 210 V C 2.519 178.585 176.094 -0.046 0.000 1.048 210 V CA 0.864 63.143 62.300 -0.036 0.000 1.049 210 V CB -0.231 31.587 31.823 -0.009 0.000 0.672 210 V HN 0.159 nan 8.190 nan 0.000 0.457 211 I N 0.092 120.619 120.570 -0.071 0.000 2.226 211 I HA -0.242 3.928 4.170 0.000 0.000 0.245 211 I C 2.580 178.657 176.117 -0.066 0.000 1.100 211 I CA 1.561 62.820 61.300 -0.068 0.000 1.374 211 I CB -0.349 37.593 38.000 -0.096 0.000 1.057 211 I HN 0.262 nan 8.210 nan 0.000 0.413 212 K N 1.306 121.657 120.400 -0.081 0.000 2.026 212 K HA -0.183 4.137 4.320 0.000 0.000 0.208 212 K C 2.116 178.687 176.600 -0.048 0.000 1.048 212 K CA 2.457 58.703 56.287 -0.069 0.000 0.929 212 K CB -0.783 31.669 32.500 -0.080 0.000 0.713 212 K HN 0.433 nan 8.250 nan 0.000 0.439 213 T N -2.203 112.325 114.554 -0.043 0.000 2.867 213 T HA -0.052 4.298 4.350 0.000 0.000 0.268 213 T C 1.861 176.546 174.700 -0.024 0.000 1.057 213 T CA 1.374 63.456 62.100 -0.030 0.000 1.136 213 T CB -0.405 68.448 68.868 -0.025 0.000 0.874 213 T HN -0.036 nan 8.240 nan 0.000 0.466 214 V N 2.097 121.996 119.914 -0.025 0.000 2.599 214 V HA 0.052 4.172 4.120 0.000 0.000 0.245 214 V C 2.930 179.012 176.094 -0.019 0.000 1.046 214 V CA 1.710 63.999 62.300 -0.018 0.000 1.065 214 V CB -0.256 31.558 31.823 -0.014 0.000 0.703 214 V HN 0.827 nan 8.190 nan 0.000 0.464 215 T N -3.924 110.616 114.554 -0.025 0.000 2.985 215 T HA 0.355 4.705 4.350 0.000 0.000 0.254 215 T C 1.618 176.302 174.700 -0.027 0.000 1.021 215 T CA 1.032 63.118 62.100 -0.024 0.000 0.957 215 T CB 0.975 69.828 68.868 -0.025 0.000 1.047 215 T HN 0.834 nan 8.240 nan 0.000 0.511 216 G N 1.517 110.298 108.800 -0.032 0.000 2.212 216 G HA2 -0.301 3.659 3.960 0.000 0.000 0.266 216 G HA3 -0.301 3.659 3.960 0.000 0.000 0.266 216 G C -0.093 174.783 174.900 -0.039 0.000 0.978 216 G CA 0.384 45.465 45.100 -0.033 0.000 0.632 216 G HN 0.886 nan 8.290 nan 0.000 0.537 217 E N 1.251 121.424 120.200 -0.044 0.000 2.338 217 E HA 0.373 4.723 4.350 0.000 0.000 0.272 217 E C -0.713 175.846 176.600 -0.068 0.000 1.029 217 E CA -0.490 55.880 56.400 -0.050 0.000 0.872 217 E CB 0.352 30.024 29.700 -0.047 0.000 1.015 217 E HN 0.239 nan 8.360 nan 0.000 0.417 218 D N 3.391 123.750 120.400 -0.067 0.000 2.198 218 D HA 0.343 4.983 4.640 0.000 0.000 0.245 218 D C -1.050 175.193 176.300 -0.096 0.000 1.079 218 D CA -0.202 53.747 54.000 -0.084 0.000 0.854 218 D CB 1.870 42.630 40.800 -0.067 0.000 1.148 218 D HN 0.191 nan 8.370 nan 0.000 0.456 219 V N 1.090 120.922 119.914 -0.136 0.000 3.077 219 V HA 0.676 4.796 4.120 0.000 0.000 0.299 219 V C -0.344 175.619 176.094 -0.219 0.000 1.276 219 V CA -0.508 61.704 62.300 -0.148 0.000 0.993 219 V CB 2.175 33.912 31.823 -0.144 0.000 1.076 219 V HN 0.572 nan 8.190 nan 0.000 0.434 220 G N 2.676 111.371 108.800 -0.175 0.000 2.488 220 G HA2 0.483 4.443 3.960 0.000 0.000 0.318 220 G HA3 0.483 4.443 3.960 0.000 0.000 0.318 220 G C 0.073 174.838 174.900 -0.225 0.000 1.188 220 G CA -0.327 44.653 45.100 -0.200 0.000 0.944 220 G HN 0.666 nan 8.290 nan 0.000 0.495 221 F N -0.442 119.412 119.950 -0.160 0.000 2.126 221 F HA -0.045 4.482 4.527 0.000 0.000 0.299 221 F C 2.619 178.446 175.800 0.045 0.000 1.096 221 F CA 1.775 59.654 58.000 -0.202 0.000 1.255 221 F CB -0.075 38.682 39.000 -0.405 0.000 0.997 221 F HN 0.540 nan 8.300 nan 0.000 0.479 222 E N 0.712 121.084 120.200 0.288 0.000 2.038 222 E HA -0.260 4.090 4.350 0.000 0.000 0.195 222 E C 2.107 178.776 176.600 0.115 0.000 1.000 222 E CA 1.852 58.417 56.400 0.275 0.000 0.803 222 E CB -0.374 29.435 29.700 0.182 0.000 0.750 222 E HN 0.493 nan 8.360 nan 0.000 0.448 223 E N -0.670 119.555 120.200 0.041 0.000 2.106 223 E HA -0.182 4.168 4.350 0.000 0.000 0.192 223 E C 2.112 178.686 176.600 -0.042 0.000 0.984 223 E CA 1.062 57.453 56.400 -0.014 0.000 0.806 223 E CB -0.221 29.460 29.700 -0.031 0.000 0.750 223 E HN 0.306 nan 8.360 nan 0.000 0.458 224 L N -0.286 120.911 121.223 -0.043 0.000 1.976 224 L HA 0.032 4.372 4.340 0.000 0.000 0.209 224 L C 1.656 178.506 176.870 -0.033 0.000 1.071 224 L CA 2.378 57.181 54.840 -0.062 0.000 0.746 224 L CB -0.204 41.770 42.059 -0.141 0.000 0.890 224 L HN 0.182 nan 8.230 nan 0.000 0.432 225 G N -1.231 107.631 108.800 0.103 0.000 4.773 225 G HA2 0.422 4.382 3.960 0.000 0.000 0.269 225 G HA3 0.422 4.382 3.960 0.000 0.000 0.269 225 G C 0.331 175.378 174.900 0.246 0.000 0.992 225 G CA 0.095 45.283 45.100 0.148 0.000 0.775 225 G HN 0.641 nan 8.290 nan 0.000 0.471 226 G N -0.522 108.340 108.800 0.103 0.000 2.653 226 G HA2 0.483 4.443 3.960 0.000 0.000 0.265 226 G HA3 0.483 4.443 3.960 0.000 0.000 0.265 226 G C 1.347 176.201 174.900 -0.077 0.000 1.237 226 G CA 0.368 45.423 45.100 -0.075 0.000 0.946 226 G HN 0.535 nan 8.290 nan 0.000 0.522 227 A N -0.197 122.536 122.820 -0.145 0.000 1.883 227 A HA -0.104 4.216 4.320 0.000 0.000 0.217 227 A C 2.349 179.893 177.584 -0.067 0.000 1.186 227 A CA 2.001 53.988 52.037 -0.083 0.000 0.624 227 A CB -0.496 18.425 19.000 -0.132 0.000 0.822 227 A HN 0.667 nan 8.150 nan 0.000 0.444 228 R N -1.065 119.386 120.500 -0.082 0.000 2.081 228 R HA -0.116 4.224 4.340 0.000 0.000 0.235 228 R C 2.231 178.498 176.300 -0.056 0.000 1.131 228 R CA 1.983 58.043 56.100 -0.065 0.000 0.960 228 R CB -0.624 29.642 30.300 -0.056 0.000 0.856 228 R HN 0.489 nan 8.270 nan 0.000 0.436 229 T N 0.240 114.739 114.554 -0.092 0.000 2.652 229 T HA -0.157 4.193 4.350 0.000 0.000 0.267 229 T C 1.435 176.039 174.700 -0.160 0.000 1.039 229 T CA 1.437 63.449 62.100 -0.146 0.000 1.153 229 T CB -0.346 68.375 68.868 -0.246 0.000 0.863 229 T HN 0.398 nan 8.240 nan 0.000 0.428 230 H N 0.540 119.587 119.070 -0.037 0.000 2.546 230 H HA 0.126 4.682 4.556 0.000 0.000 0.277 230 H C 1.718 176.966 175.328 -0.132 0.000 1.004 230 H CA 0.736 56.736 56.048 -0.080 0.000 1.231 230 H CB -0.135 29.587 29.762 -0.067 0.000 1.382 230 H HN 0.367 nan 8.280 nan 0.000 0.580 231 N N -0.735 117.965 118.700 -0.000 0.000 2.356 231 N HA -0.066 4.674 4.740 0.000 0.000 0.178 231 N C 1.589 177.132 175.510 0.055 0.000 1.075 231 N CA 0.661 53.694 53.050 -0.028 0.000 0.889 231 N CB 0.570 39.026 38.487 -0.051 0.000 0.999 231 N HN 0.185 nan 8.380 nan 0.000 0.464 232 S N -2.739 113.013 115.700 0.086 0.000 2.554 232 S HA 0.207 4.677 4.470 0.000 0.000 0.227 232 S C 1.346 176.125 174.600 0.298 0.000 1.050 232 S CA 0.043 58.358 58.200 0.192 0.000 0.927 232 S CB 0.326 63.579 63.200 0.088 0.000 0.859 232 S HN -0.006 nan 8.310 nan 0.000 0.494 233 T N 2.155 116.821 114.554 0.187 0.000 3.151 233 T HA 0.157 4.507 4.350 0.000 0.000 0.239 233 T C 2.113 176.931 174.700 0.196 0.000 0.979 233 T CA 0.918 63.136 62.100 0.196 0.000 1.194 233 T CB -0.305 68.605 68.868 0.070 0.000 0.982 233 T HN 0.554 nan 8.240 nan 0.000 0.428 234 S N 1.107 116.827 115.700 0.034 0.000 2.428 234 S HA 0.247 4.717 4.470 0.000 0.000 0.230 234 S C 2.004 176.432 174.600 -0.286 0.000 1.014 234 S CA 1.006 59.202 58.200 -0.007 0.000 0.957 234 S CB -0.707 62.572 63.200 0.132 0.000 0.784 234 S HN 0.910 nan 8.310 nan 0.000 0.499 235 G N 0.603 108.955 108.800 -0.746 0.000 2.160 235 G HA2 -0.309 3.651 3.960 0.000 0.000 0.251 235 G HA3 -0.309 3.651 3.960 0.000 0.000 0.251 235 G C 0.761 175.227 174.900 -0.723 0.000 1.008 235 G CA 0.821 44.957 45.100 -1.607 0.000 0.724 235 G HN 1.472 nan 8.290 nan 0.000 0.514 236 V N -3.034 116.650 119.914 -0.383 0.000 2.599 236 V HA 0.691 4.811 4.120 0.000 0.000 0.245 236 V C 1.512 177.411 176.094 -0.324 0.000 1.046 236 V CA 1.672 63.806 62.300 -0.277 0.000 1.065 236 V CB -0.180 31.521 31.823 -0.204 0.000 0.703 236 V HN 1.713 nan 8.190 nan 0.000 0.464 237 A N -0.323 122.333 122.820 -0.274 0.000 2.295 237 A HA 0.659 4.979 4.320 0.000 0.000 0.318 237 A C 0.358 177.759 177.584 -0.307 0.000 1.134 237 A CA -0.096 51.826 52.037 -0.191 0.000 0.827 237 A CB 0.505 19.476 19.000 -0.049 0.000 1.136 237 A HN 0.627 nan 8.150 nan 0.000 0.493 238 H N -1.010 118.125 119.070 0.108 0.000 2.648 238 H HA 0.258 4.814 4.556 0.000 0.000 0.265 238 H C -0.106 175.299 175.328 0.127 0.000 0.961 238 H CA 1.223 57.382 56.048 0.184 0.000 1.185 238 H CB 0.283 30.297 29.762 0.421 0.000 1.449 238 H HN 0.807 nan 8.280 nan 0.000 0.523 239 H N -0.257 118.790 119.070 -0.039 0.000 3.094 239 H HA 0.354 4.910 4.556 0.000 0.000 0.346 239 H C -1.640 173.548 175.328 -0.233 0.000 1.238 239 H CA -0.959 54.915 56.048 -0.291 0.000 1.209 239 H CB 1.140 30.367 29.762 -0.891 0.000 1.911 239 H HN 0.065 nan 8.280 nan 0.000 0.540 240 M N 4.304 123.339 119.600 -0.943 0.000 2.085 240 M HA 0.735 5.215 4.480 0.000 0.000 0.309 240 M C -1.362 174.423 176.300 -0.857 0.000 0.947 240 M CA -0.640 54.278 55.300 -0.638 0.000 0.918 240 M CB 0.915 33.305 32.600 -0.349 0.000 1.504 240 M HN 0.726 nan 8.290 nan 0.000 0.420 241 A N 3.075 125.593 122.820 -0.503 0.000 2.279 241 A HA 0.699 5.019 4.320 0.000 0.000 0.303 241 A C 0.956 178.464 177.584 -0.126 0.000 1.108 241 A CA -0.191 51.722 52.037 -0.207 0.000 0.830 241 A CB 0.787 19.797 19.000 0.017 0.000 1.106 241 A HN 1.051 nan 8.150 nan 0.000 0.493 242 G N -0.308 108.457 108.800 -0.057 0.000 2.511 242 G HA2 0.292 4.252 3.960 0.000 0.000 0.217 242 G HA3 0.292 4.252 3.960 0.000 0.000 0.217 242 G C 0.100 174.977 174.900 -0.038 0.000 1.133 242 G CA 1.213 46.284 45.100 -0.048 0.000 0.792 242 G HN 0.979 nan 8.290 nan 0.000 0.539 243 D N -2.890 117.497 120.400 -0.023 0.000 2.665 243 D HA 0.168 4.808 4.640 0.000 0.000 0.287 243 D C 0.567 176.861 176.300 -0.011 0.000 1.266 243 D CA -0.745 53.241 54.000 -0.023 0.000 0.830 243 D CB 0.225 41.013 40.800 -0.020 0.000 1.356 243 D HN -0.017 nan 8.370 nan 0.000 0.437 244 E N -0.199 119.989 120.200 -0.020 0.000 2.077 244 E HA -0.208 4.142 4.350 0.000 0.000 0.193 244 E C 1.505 178.107 176.600 0.004 0.000 0.989 244 E CA 1.009 57.402 56.400 -0.012 0.000 0.800 244 E CB 0.045 29.728 29.700 -0.028 0.000 0.746 244 E HN 0.465 nan 8.360 nan 0.000 0.452 245 K N 0.971 121.372 120.400 0.001 0.000 2.063 245 K HA -0.210 4.110 4.320 0.000 0.000 0.208 245 K C 1.511 178.133 176.600 0.035 0.000 1.048 245 K CA 1.875 58.167 56.287 0.009 0.000 0.928 245 K CB 0.071 32.572 32.500 0.002 0.000 0.713 245 K HN -0.040 nan 8.250 nan 0.000 0.442 246 D N 0.157 120.587 120.400 0.050 0.000 2.144 246 D HA -0.099 4.541 4.640 0.000 0.000 0.200 246 D C 1.716 178.104 176.300 0.147 0.000 0.978 246 D CA 1.220 55.277 54.000 0.095 0.000 0.833 246 D CB -0.163 40.693 40.800 0.094 0.000 0.961 246 D HN 0.367 nan 8.370 nan 0.000 0.470 247 A N 0.388 123.276 122.820 0.115 0.000 1.898 247 A HA -0.123 4.197 4.320 0.000 0.000 0.216 247 A C 2.439 180.114 177.584 0.152 0.000 1.181 247 A CA 1.123 53.248 52.037 0.146 0.000 0.620 247 A CB -0.689 18.355 19.000 0.075 0.000 0.819 247 A HN 0.148 nan 8.150 nan 0.000 0.442 248 V N 0.192 120.157 119.914 0.084 0.000 2.427 248 V HA -0.213 3.907 4.120 0.000 0.000 0.248 248 V C 2.578 178.707 176.094 0.059 0.000 1.051 248 V CA 2.309 64.641 62.300 0.053 0.000 1.048 248 V CB -0.673 31.155 31.823 0.008 0.000 0.666 248 V HN 0.734 nan 8.190 nan 0.000 0.456 249 E N -0.022 120.222 120.200 0.073 0.000 2.110 249 E HA -0.261 4.089 4.350 0.000 0.000 0.193 249 E C 2.024 178.667 176.600 0.071 0.000 0.988 249 E CA 1.596 58.026 56.400 0.050 0.000 0.804 249 E CB -0.530 29.206 29.700 0.059 0.000 0.745 249 E HN 0.668 nan 8.360 nan 0.000 0.458 250 Y N 0.379 120.700 120.300 0.036 0.000 2.181 250 Y HA -0.187 4.363 4.550 0.000 0.000 0.288 250 Y C 2.226 178.162 175.900 0.060 0.000 1.146 250 Y CA 2.011 60.152 58.100 0.068 0.000 1.164 250 Y CB -0.216 38.231 38.460 -0.021 0.000 0.982 250 Y HN 0.107 nan 8.280 nan 0.000 0.515 251 V N -1.449 118.567 119.914 0.170 0.000 2.515 251 V HA -0.222 3.898 4.120 0.000 0.000 0.250 251 V C 1.953 177.997 176.094 -0.082 0.000 1.058 251 V CA 2.062 64.400 62.300 0.063 0.000 1.064 251 V CB -0.676 31.193 31.823 0.077 0.000 0.675 251 V HN 0.307 nan 8.190 nan 0.000 0.461 252 K N -0.279 120.064 120.400 -0.095 0.000 2.097 252 K HA -0.122 4.198 4.320 0.000 0.000 0.206 252 K C 2.458 178.894 176.600 -0.274 0.000 1.049 252 K CA 1.641 57.837 56.287 -0.151 0.000 0.933 252 K CB -0.295 32.135 32.500 -0.118 0.000 0.717 252 K HN 0.461 nan 8.250 nan 0.000 0.442 253 Q N 0.647 120.227 119.800 -0.367 0.000 2.079 253 Q HA -0.121 4.219 4.340 0.000 0.000 0.200 253 Q C 2.217 177.778 176.000 -0.730 0.000 0.974 253 Q CA 0.990 56.401 55.803 -0.654 0.000 0.840 253 Q CB -0.276 27.920 28.738 -0.903 0.000 0.898 253 Q HN 0.193 nan 8.270 nan 0.000 0.430 254 L N 0.678 121.564 121.223 -0.562 0.000 2.012 254 L HA -0.161 4.179 4.340 0.000 0.000 0.210 254 L C 2.278 178.925 176.870 -0.372 0.000 1.073 254 L CA 1.505 56.098 54.840 -0.412 0.000 0.748 254 L CB -0.923 40.967 42.059 -0.283 0.000 0.891 254 L HN 0.170 nan 8.230 nan 0.000 0.431 255 L N -0.938 120.110 121.223 -0.292 0.000 2.079 255 L HA -0.220 4.120 4.340 0.000 0.000 0.210 255 L C 2.583 179.280 176.870 -0.288 0.000 1.081 255 L CA 1.438 56.132 54.840 -0.245 0.000 0.752 255 L CB -0.817 41.139 42.059 -0.171 0.000 0.896 255 L HN 0.471 nan 8.230 nan 0.000 0.433 256 S N -1.156 114.317 115.700 -0.379 0.000 2.469 256 S HA -0.189 4.281 4.470 0.000 0.000 0.238 256 S C 1.645 175.938 174.600 -0.511 0.000 0.998 256 S CA 0.891 58.831 58.200 -0.433 0.000 0.957 256 S CB -0.488 62.379 63.200 -0.556 0.000 0.764 256 S HN 0.448 nan 8.310 nan 0.000 0.514 257 Y N 0.997 121.039 120.300 -0.430 0.000 2.478 257 Y HA 0.524 5.074 4.550 0.000 0.000 0.261 257 Y C 0.761 176.406 175.900 -0.426 0.000 1.127 257 Y CA -0.446 57.367 58.100 -0.479 0.000 1.288 257 Y CB 0.174 38.097 38.460 -0.894 0.000 1.084 257 Y HN 0.204 nan 8.280 nan 0.000 0.530 258 L N 2.077 123.145 121.223 -0.257 0.000 2.330 258 L HA 0.436 4.776 4.340 0.000 0.000 0.271 258 L C -2.220 174.556 176.870 -0.157 0.000 1.013 258 L CA -2.272 52.442 54.840 -0.209 0.000 0.816 258 L CB 1.838 43.718 42.059 -0.298 0.000 1.287 258 L HN -0.215 nan 8.230 nan 0.000 0.435 259 P HA 0.130 nan 4.420 nan 0.000 0.275 259 P C -0.049 177.199 177.300 -0.086 0.000 1.266 259 P CA -0.392 62.676 63.100 -0.052 0.000 0.793 259 P CB 0.945 32.669 31.700 0.040 0.000 1.074 260 S N -0.479 115.192 115.700 -0.049 0.000 2.461 260 S HA -0.039 4.431 4.470 0.000 0.000 0.228 260 S C 0.815 175.411 174.600 -0.006 0.000 1.005 260 S CA 0.956 59.130 58.200 -0.044 0.000 0.942 260 S CB -0.678 62.504 63.200 -0.030 0.000 0.776 260 S HN 0.749 nan 8.310 nan 0.000 0.514 261 N N -0.275 118.459 118.700 0.056 0.000 3.116 261 N HA 0.148 4.888 4.740 0.000 0.000 0.244 261 N C -0.577 175.079 175.510 0.243 0.000 1.485 261 N CA -0.663 52.482 53.050 0.158 0.000 0.884 261 N CB -0.004 38.537 38.487 0.090 0.000 1.415 261 N HN -0.090 nan 8.380 nan 0.000 0.524 262 N N -0.509 118.344 118.700 0.256 0.000 2.571 262 N HA -0.006 4.734 4.740 0.000 0.000 0.189 262 N C 0.209 175.763 175.510 0.072 0.000 1.154 262 N CA 0.506 53.648 53.050 0.153 0.000 0.907 262 N CB -0.166 38.311 38.487 -0.017 0.000 0.977 262 N HN 0.513 nan 8.380 nan 0.000 0.449 263 L N -0.571 120.690 121.223 0.063 0.000 2.558 263 L HA 0.277 4.617 4.340 0.000 0.000 0.225 263 L C 0.092 176.978 176.870 0.026 0.000 1.128 263 L CA 0.318 55.176 54.840 0.030 0.000 0.868 263 L CB -0.348 41.721 42.059 0.016 0.000 1.006 263 L HN 0.030 nan 8.230 nan 0.000 0.454 264 S N -1.710 114.014 115.700 0.041 0.000 2.632 264 S HA 0.447 4.917 4.470 0.000 0.000 0.289 264 S C -0.317 174.306 174.600 0.039 0.000 1.115 264 S CA -0.848 57.367 58.200 0.025 0.000 0.889 264 S CB 2.123 65.326 63.200 0.005 0.000 1.116 264 S HN 0.055 nan 8.310 nan 0.000 0.486 265 E N 1.195 121.407 120.200 0.020 0.000 2.345 265 E HA 0.284 4.634 4.350 0.000 0.000 0.259 265 E C -2.414 174.193 176.600 0.012 0.000 1.117 265 E CA -1.909 54.508 56.400 0.028 0.000 0.913 265 E CB 0.047 29.757 29.700 0.016 0.000 1.057 265 E HN 0.227 nan 8.360 nan 0.000 0.432 266 P HA 0.008 nan 4.420 nan 0.000 0.268 266 P C -2.409 174.855 177.300 -0.061 0.000 1.208 266 P CA -0.708 62.388 63.100 -0.007 0.000 0.777 266 P CB -0.197 31.524 31.700 0.035 0.000 0.875 267 P HA 0.139 nan 4.420 nan 0.000 0.267 267 P C -1.156 175.991 177.300 -0.256 0.000 1.205 267 P CA 0.344 63.315 63.100 -0.215 0.000 0.765 267 P CB 0.477 32.047 31.700 -0.216 0.000 0.828 268 A N 3.288 125.882 122.820 -0.376 0.000 2.414 268 A HA 0.688 5.008 4.320 0.000 0.000 0.306 268 A C -1.244 176.032 177.584 -0.514 0.000 1.054 268 A CA -0.574 51.285 52.037 -0.296 0.000 0.724 268 A CB 0.938 19.868 19.000 -0.116 0.000 1.267 268 A HN 0.355 nan 8.150 nan 0.000 0.418 269 F N 1.970 121.909 119.950 -0.018 0.000 2.449 269 F HA 0.352 4.879 4.527 0.000 0.000 0.344 269 F C -2.232 173.565 175.800 -0.004 0.000 1.180 269 F CA -2.029 55.961 58.000 -0.018 0.000 1.209 269 F CB 0.946 39.927 39.000 -0.031 0.000 1.440 269 F HN 0.295 nan 8.300 nan 0.000 0.526 270 P HA -0.047 nan 4.420 nan 0.000 0.261 270 P C -0.695 176.655 177.300 0.083 0.000 1.158 270 P CA 0.554 63.696 63.100 0.070 0.000 0.758 270 P CB 0.309 32.031 31.700 0.036 0.000 0.763 271 E N 1.147 121.390 120.200 0.072 0.000 2.307 271 E HA 0.278 4.628 4.350 0.000 0.000 0.280 271 E C -1.037 175.592 176.600 0.050 0.000 0.900 271 E CA -0.987 55.449 56.400 0.060 0.000 0.790 271 E CB 1.202 30.941 29.700 0.064 0.000 1.261 271 E HN 0.152 nan 8.360 nan 0.000 0.405 272 E N 1.898 122.122 120.200 0.039 0.000 2.324 272 E HA 0.270 4.620 4.350 0.000 0.000 0.271 272 E C -0.379 176.241 176.600 0.034 0.000 1.028 272 E CA -0.042 56.379 56.400 0.034 0.000 0.890 272 E CB 1.353 31.069 29.700 0.026 0.000 1.004 272 E HN 0.604 nan 8.360 nan 0.000 0.431 273 A N 3.770 126.612 122.820 0.037 0.000 2.331 273 A HA 0.084 4.404 4.320 0.000 0.000 0.283 273 A C 0.181 177.783 177.584 0.029 0.000 1.142 273 A CA -0.551 51.508 52.037 0.038 0.000 0.812 273 A CB 0.474 19.503 19.000 0.048 0.000 1.074 273 A HN 0.491 nan 8.150 nan 0.000 0.497 274 D N 2.640 123.055 120.400 0.026 0.000 2.336 274 D HA 0.179 4.819 4.640 0.000 0.000 0.249 274 D C 0.445 176.758 176.300 0.020 0.000 1.213 274 D CA -0.006 54.006 54.000 0.019 0.000 0.870 274 D CB 0.624 41.434 40.800 0.016 0.000 1.076 274 D HN 0.485 nan 8.370 nan 0.000 0.483 275 L N 2.780 124.012 121.223 0.015 0.000 2.612 275 L HA 0.174 4.514 4.340 0.000 0.000 0.230 275 L C 1.198 178.073 176.870 0.009 0.000 1.140 275 L CA -0.297 54.551 54.840 0.013 0.000 0.896 275 L CB -0.255 41.806 42.059 0.003 0.000 1.065 275 L HN 0.333 nan 8.230 nan 0.000 0.447 276 A N 0.291 123.116 122.820 0.009 0.000 2.462 276 A HA 0.285 4.605 4.320 0.000 0.000 0.243 276 A C 0.338 177.928 177.584 0.011 0.000 1.076 276 A CA -0.301 51.740 52.037 0.007 0.000 0.773 276 A CB 0.285 19.289 19.000 0.006 0.000 1.010 276 A HN -0.011 nan 8.150 nan 0.000 0.493 277 V N 3.880 123.798 119.914 0.008 0.000 2.434 277 V HA 0.142 4.262 4.120 0.000 0.000 0.281 277 V C 1.292 177.394 176.094 0.012 0.000 1.005 277 V CA 0.639 62.945 62.300 0.011 0.000 1.089 277 V CB -0.588 31.237 31.823 0.003 0.000 0.978 277 V HN 1.078 nan 8.190 nan 0.000 0.474 278 T N 0.850 115.415 114.554 0.019 0.000 2.816 278 T HA 0.191 4.541 4.350 0.000 0.000 0.282 278 T C 0.895 175.607 174.700 0.021 0.000 0.993 278 T CA -0.685 61.426 62.100 0.017 0.000 0.994 278 T CB 1.106 69.984 68.868 0.017 0.000 1.025 278 T HN 0.552 nan 8.240 nan 0.000 0.529 279 D N 0.413 120.823 120.400 0.017 0.000 2.178 279 D HA -0.072 4.568 4.640 0.000 0.000 0.201 279 D C 1.849 178.173 176.300 0.040 0.000 0.980 279 D CA 1.155 55.168 54.000 0.021 0.000 0.842 279 D CB 0.014 40.824 40.800 0.016 0.000 0.948 279 D HN 0.658 nan 8.370 nan 0.000 0.472 280 E N 0.836 121.059 120.200 0.039 0.000 2.072 280 E HA -0.116 4.234 4.350 0.000 0.000 0.191 280 E C 1.658 178.364 176.600 0.178 0.000 0.985 280 E CA 0.771 57.211 56.400 0.066 0.000 0.801 280 E CB -0.077 29.587 29.700 -0.060 0.000 0.750 280 E HN 0.212 nan 8.360 nan 0.000 0.452 281 D N 0.200 120.669 120.400 0.115 0.000 2.123 281 D HA -0.149 4.491 4.640 0.000 0.000 0.196 281 D C 1.800 178.132 176.300 0.054 0.000 0.992 281 D CA 1.430 55.500 54.000 0.117 0.000 0.833 281 D CB -0.298 40.541 40.800 0.065 0.000 0.954 281 D HN 0.209 nan 8.370 nan 0.000 0.455 282 A N 1.078 123.916 122.820 0.029 0.000 2.019 282 A HA -0.211 4.109 4.320 0.000 0.000 0.219 282 A C 2.008 179.576 177.584 -0.027 0.000 1.164 282 A CA 1.346 53.376 52.037 -0.013 0.000 0.644 282 A CB -0.545 18.451 19.000 -0.006 0.000 0.805 282 A HN 0.226 nan 8.150 nan 0.000 0.449 283 E N -0.663 119.551 120.200 0.024 0.000 2.209 283 E HA -0.187 4.163 4.350 0.000 0.000 0.196 283 E C 1.513 178.054 176.600 -0.100 0.000 0.993 283 E CA 0.858 57.261 56.400 0.005 0.000 0.819 283 E CB -0.219 29.552 29.700 0.120 0.000 0.745 283 E HN 0.441 nan 8.360 nan 0.000 0.477 284 L N 1.268 122.403 121.223 -0.148 0.000 2.191 284 L HA -0.159 4.181 4.340 0.000 0.000 0.212 284 L C 1.460 178.103 176.870 -0.378 0.000 1.103 284 L CA 1.545 56.216 54.840 -0.282 0.000 0.769 284 L CB -0.316 41.562 42.059 -0.302 0.000 0.908 284 L HN 0.049 nan 8.230 nan 0.000 0.438 285 D N -1.397 118.835 120.400 -0.281 0.000 2.312 285 D HA -0.072 4.568 4.640 0.000 0.000 0.211 285 D C 1.617 177.807 176.300 -0.182 0.000 0.964 285 D CA 1.486 55.327 54.000 -0.265 0.000 0.877 285 D CB 0.109 40.801 40.800 -0.179 0.000 0.924 285 D HN 0.452 nan 8.370 nan 0.000 0.515 286 T N -2.579 111.889 114.554 -0.143 0.000 3.091 286 T HA 0.226 4.576 4.350 0.000 0.000 0.277 286 T C 1.659 176.306 174.700 -0.088 0.000 0.996 286 T CA -0.376 61.668 62.100 -0.093 0.000 0.897 286 T CB -0.130 68.704 68.868 -0.056 0.000 1.109 286 T HN 0.038 nan 8.240 nan 0.000 0.534 287 I N 1.610 122.105 120.570 -0.125 0.000 2.546 287 I HA 0.118 4.288 4.170 0.000 0.000 0.255 287 I C -0.047 175.957 176.117 -0.188 0.000 1.163 287 I CA 0.623 61.852 61.300 -0.119 0.000 1.457 287 I CB 0.333 38.258 38.000 -0.125 0.000 1.092 287 I HN 0.053 nan 8.210 nan 0.000 0.434 288 V N 4.760 124.550 119.914 -0.208 0.000 2.408 288 V HA 0.215 4.335 4.120 0.000 0.000 0.267 288 V C -1.805 174.244 176.094 -0.075 0.000 1.047 288 V CA -1.370 60.787 62.300 -0.238 0.000 0.937 288 V CB 0.124 31.860 31.823 -0.144 0.000 0.999 288 V HN 0.227 nan 8.190 nan 0.000 0.472 289 P HA 0.166 nan 4.420 nan 0.000 0.272 289 P C 0.162 177.480 177.300 0.030 0.000 1.240 289 P CA -0.286 62.830 63.100 0.026 0.000 0.791 289 P CB 1.156 32.895 31.700 0.065 0.000 0.978 290 D N -0.717 119.700 120.400 0.028 0.000 2.144 290 D HA -0.083 4.557 4.640 0.000 0.000 0.199 290 D C 0.935 177.261 176.300 0.044 0.000 0.984 290 D CA 1.331 55.350 54.000 0.031 0.000 0.834 290 D CB -0.229 40.587 40.800 0.025 0.000 0.955 290 D HN 0.303 nan 8.370 nan 0.000 0.465 291 S N -0.444 115.286 115.700 0.049 0.000 2.489 291 S HA 0.412 4.882 4.470 0.000 0.000 0.277 291 S C 1.051 175.695 174.600 0.074 0.000 1.230 291 S CA -0.257 57.976 58.200 0.056 0.000 1.053 291 S CB 1.512 64.741 63.200 0.049 0.000 0.955 291 S HN 0.132 nan 8.310 nan 0.000 0.488 292 A N 5.037 127.903 122.820 0.078 0.000 2.121 292 A HA -0.041 4.279 4.320 0.000 0.000 0.218 292 A C 1.797 179.435 177.584 0.090 0.000 1.154 292 A CA 1.057 53.152 52.037 0.097 0.000 0.679 292 A CB -0.421 18.641 19.000 0.103 0.000 0.795 292 A HN 0.885 nan 8.150 nan 0.000 0.458 293 N N -0.561 118.181 118.700 0.070 0.000 2.463 293 N HA -0.023 4.717 4.740 0.000 0.000 0.181 293 N C 0.542 176.088 175.510 0.061 0.000 1.078 293 N CA 0.390 53.474 53.050 0.057 0.000 0.902 293 N CB 0.026 38.538 38.487 0.041 0.000 0.970 293 N HN 0.514 nan 8.380 nan 0.000 0.451 294 Q N 2.301 122.147 119.800 0.077 0.000 2.322 294 Q HA 0.264 4.604 4.340 0.000 0.000 0.256 294 Q C -2.364 173.712 176.000 0.128 0.000 0.960 294 Q CA -1.917 53.937 55.803 0.085 0.000 0.934 294 Q CB 1.379 30.165 28.738 0.081 0.000 1.200 294 Q HN 0.120 nan 8.270 nan 0.000 0.435 295 P HA 0.258 nan 4.420 nan 0.000 0.282 295 P C -1.394 176.003 177.300 0.163 0.000 1.287 295 P CA -0.280 62.865 63.100 0.075 0.000 0.792 295 P CB 0.671 32.351 31.700 -0.033 0.000 1.163 296 Y N -3.592 116.716 120.300 0.013 0.000 2.638 296 Y HA 0.539 5.089 4.550 0.000 0.000 0.335 296 Y C -1.110 174.795 175.900 0.008 0.000 1.155 296 Y CA -1.517 56.592 58.100 0.016 0.000 1.046 296 Y CB 0.077 38.551 38.460 0.025 0.000 1.303 296 Y HN 0.093 nan 8.280 nan 0.000 0.460 297 D N 2.001 122.442 120.400 0.069 0.000 2.339 297 D HA 0.118 4.758 4.640 0.000 0.000 0.241 297 D C 0.661 176.975 176.300 0.024 0.000 1.183 297 D CA -0.188 53.819 54.000 0.012 0.000 0.859 297 D CB 1.459 42.320 40.800 0.101 0.000 1.067 297 D HN 0.772 nan 8.370 nan 0.000 0.484 298 M N 4.235 123.736 119.600 -0.165 0.000 2.358 298 M HA -0.136 4.344 4.480 0.000 0.000 0.264 298 M C 1.457 177.628 176.300 -0.214 0.000 1.064 298 M CA 1.450 56.640 55.300 -0.184 0.000 1.093 298 M CB -0.290 32.126 32.600 -0.307 0.000 1.401 298 M HN 0.464 nan 8.290 nan 0.000 0.440 299 H N -1.526 117.476 119.070 -0.112 0.000 2.390 299 H HA -0.131 4.426 4.556 0.000 0.000 0.298 299 H C 2.317 177.613 175.328 -0.054 0.000 1.106 299 H CA 1.864 57.859 56.048 -0.087 0.000 1.297 299 H CB -0.481 29.302 29.762 0.035 0.000 1.375 299 H HN 0.476 nan 8.280 nan 0.000 0.509 300 S N 0.062 115.840 115.700 0.130 0.000 2.368 300 S HA -0.098 4.372 4.470 0.000 0.000 0.224 300 S C 2.424 177.066 174.600 0.070 0.000 1.029 300 S CA 1.124 59.412 58.200 0.146 0.000 0.988 300 S CB -0.373 62.894 63.200 0.113 0.000 0.838 300 S HN 0.135 nan 8.310 nan 0.000 0.462 301 V N 2.058 121.940 119.914 -0.054 0.000 2.295 301 V HA -0.170 3.950 4.120 0.000 0.000 0.246 301 V C 2.272 178.211 176.094 -0.258 0.000 1.049 301 V CA 2.024 64.255 62.300 -0.114 0.000 1.024 301 V CB -0.697 31.052 31.823 -0.123 0.000 0.648 301 V HN 0.495 nan 8.190 nan 0.000 0.447 302 I N -0.079 120.180 120.570 -0.519 0.000 2.142 302 I HA -0.264 3.906 4.170 0.000 0.000 0.240 302 I C 2.586 178.593 176.117 -0.184 0.000 1.078 302 I CA 1.811 62.734 61.300 -0.628 0.000 1.343 302 I CB -0.483 36.997 38.000 -0.867 0.000 1.046 302 I HN 0.353 nan 8.210 nan 0.000 0.405 303 E N -0.187 119.995 120.200 -0.030 0.000 2.160 303 E HA -0.261 4.089 4.350 0.000 0.000 0.195 303 E C 1.979 178.654 176.600 0.124 0.000 0.991 303 E CA 1.259 57.723 56.400 0.106 0.000 0.810 303 E CB -0.219 29.576 29.700 0.158 0.000 0.742 303 E HN 0.572 nan 8.360 nan 0.000 0.466 304 H N -0.888 118.201 119.070 0.032 0.000 2.545 304 H HA -0.067 4.489 4.556 0.000 0.000 0.282 304 H C 1.919 177.304 175.328 0.095 0.000 1.020 304 H CA 1.224 57.312 56.048 0.067 0.000 1.243 304 H CB 0.168 29.976 29.762 0.077 0.000 1.377 304 H HN 0.163 nan 8.280 nan 0.000 0.581 305 V N -2.852 117.185 119.914 0.205 0.000 3.523 305 V HA 0.225 4.345 4.120 0.000 0.000 0.255 305 V C 0.710 176.908 176.094 0.173 0.000 1.226 305 V CA -0.040 62.385 62.300 0.209 0.000 1.092 305 V CB -0.011 31.989 31.823 0.295 0.000 0.817 305 V HN 0.029 nan 8.190 nan 0.000 0.458 306 L N 1.703 123.019 121.223 0.154 0.000 2.399 306 L HA 0.461 4.801 4.340 0.000 0.000 0.266 306 L C -0.071 176.881 176.870 0.136 0.000 1.114 306 L CA -0.631 54.307 54.840 0.164 0.000 0.804 306 L CB 0.382 42.556 42.059 0.192 0.000 1.146 306 L HN 0.136 nan 8.230 nan 0.000 0.451 307 D N 1.641 122.126 120.400 0.141 0.000 2.488 307 D HA -0.049 4.591 4.640 0.000 0.000 0.238 307 D C 0.393 176.753 176.300 0.100 0.000 1.138 307 D CA 0.475 54.541 54.000 0.110 0.000 0.873 307 D CB 0.423 41.290 40.800 0.112 0.000 1.183 307 D HN 0.512 nan 8.370 nan 0.000 0.458 308 D N 1.292 121.732 120.400 0.066 0.000 3.018 308 D HA -0.283 4.357 4.640 0.000 0.000 0.224 308 D C 0.491 176.827 176.300 0.060 0.000 1.185 308 D CA 1.112 55.143 54.000 0.052 0.000 0.858 308 D CB -1.185 39.647 40.800 0.052 0.000 1.112 308 D HN 0.715 nan 8.370 nan 0.000 0.415 309 A N -0.430 122.429 122.820 0.064 0.000 2.799 309 A HA -0.270 4.050 4.320 0.000 0.000 0.287 309 A C 0.380 178.042 177.584 0.130 0.000 1.484 309 A CA 1.916 53.994 52.037 0.069 0.000 0.813 309 A CB -1.325 17.676 19.000 0.001 0.000 1.009 309 A HN 0.373 nan 8.150 nan 0.000 0.545 310 E N -0.527 119.774 120.200 0.168 0.000 2.109 310 E HA 0.645 4.995 4.350 0.000 0.000 0.278 310 E C -0.803 175.998 176.600 0.335 0.000 0.954 310 E CA -0.614 55.917 56.400 0.219 0.000 0.779 310 E CB 0.303 30.115 29.700 0.186 0.000 1.093 310 E HN 0.706 nan 8.360 nan 0.000 0.401 311 F N 6.433 126.478 119.950 0.158 0.000 2.427 311 F HA 0.433 4.960 4.527 0.000 0.000 0.348 311 F C -1.785 174.136 175.800 0.202 0.000 1.125 311 F CA -1.772 56.325 58.000 0.160 0.000 0.989 311 F CB 0.595 39.668 39.000 0.122 0.000 1.165 311 F HN 0.416 nan 8.300 nan 0.000 0.442 312 F N 6.745 126.511 119.950 -0.306 0.000 2.377 312 F HA 0.340 4.867 4.527 0.000 0.000 0.360 312 F C 0.194 175.556 175.800 -0.731 0.000 1.147 312 F CA -0.395 57.375 58.000 -0.382 0.000 1.170 312 F CB 0.080 38.989 39.000 -0.152 0.000 1.339 312 F HN 0.617 nan 8.300 nan 0.000 0.552 313 E N 3.668 123.177 120.200 -1.152 0.000 2.331 313 E HA 0.288 4.638 4.350 0.000 0.000 0.272 313 E C -0.524 175.732 176.600 -0.572 0.000 1.036 313 E CA -0.387 55.427 56.400 -0.976 0.000 0.864 313 E CB 0.858 30.172 29.700 -0.643 0.000 1.035 313 E HN 0.626 nan 8.360 nan 0.000 0.408 314 T N 1.297 115.643 114.554 -0.346 0.000 2.856 314 T HA 0.235 4.585 4.350 0.000 0.000 0.283 314 T C -0.158 174.549 174.700 0.012 0.000 1.008 314 T CA -0.790 61.267 62.100 -0.072 0.000 0.997 314 T CB 1.437 70.343 68.868 0.064 0.000 0.992 314 T HN 0.667 nan 8.240 nan 0.000 0.454 315 Q N 0.699 120.572 119.800 0.123 0.000 2.451 315 Q HA -0.122 4.218 4.340 0.000 0.000 0.305 315 Q C -1.554 174.503 176.000 0.094 0.000 1.345 315 Q CA 0.477 56.354 55.803 0.123 0.000 0.854 315 Q CB -1.153 27.691 28.738 0.177 0.000 1.162 315 Q HN 0.710 nan 8.270 nan 0.000 0.440 316 P HA -0.161 nan 4.420 nan 0.000 0.222 316 P C 0.941 178.271 177.300 0.050 0.000 1.147 316 P CA 1.076 64.204 63.100 0.047 0.000 0.790 316 P CB 0.144 31.858 31.700 0.023 0.000 0.780 317 L N -2.677 118.582 121.223 0.060 0.000 2.567 317 L HA 0.191 4.531 4.340 0.000 0.000 0.225 317 L C 1.018 177.970 176.870 0.137 0.000 1.119 317 L CA -0.091 54.786 54.840 0.062 0.000 0.871 317 L CB -0.211 41.867 42.059 0.032 0.000 1.036 317 L HN -0.099 nan 8.230 nan 0.000 0.459 318 F N 0.936 120.882 119.950 -0.007 0.000 2.436 318 F HA 0.584 5.111 4.527 0.000 0.000 0.340 318 F C 0.750 176.566 175.800 0.027 0.000 1.113 318 F CA -1.080 56.926 58.000 0.010 0.000 1.022 318 F CB 1.057 40.058 39.000 0.000 0.000 1.128 318 F HN -0.022 nan 8.300 nan 0.000 0.466 319 A N 6.389 128.854 122.820 -0.592 0.000 2.362 319 A HA -0.171 4.149 4.320 0.000 0.000 0.290 319 A C -1.890 175.601 177.584 -0.156 0.000 1.441 319 A CA 0.501 52.295 52.037 -0.406 0.000 0.743 319 A CB -1.869 16.802 19.000 -0.548 0.000 1.125 319 A HN 0.640 nan 8.150 nan 0.000 0.378 320 P HA -0.181 nan 4.420 nan 0.000 0.231 320 P C 1.032 178.241 177.300 -0.153 0.000 1.158 320 P CA 1.251 64.274 63.100 -0.129 0.000 0.763 320 P CB -0.253 31.346 31.700 -0.168 0.000 0.805 321 N N -0.088 118.534 118.700 -0.130 0.000 2.550 321 N HA -0.035 4.705 4.740 0.000 0.000 0.186 321 N C 0.665 176.148 175.510 -0.044 0.000 1.110 321 N CA 0.271 53.280 53.050 -0.069 0.000 0.912 321 N CB -0.100 38.469 38.487 0.137 0.000 0.968 321 N HN 0.290 nan 8.380 nan 0.000 0.448 322 I N 0.238 120.780 120.570 -0.047 0.000 2.686 322 I HA 0.359 4.529 4.170 0.000 0.000 0.295 322 I C -1.481 174.607 176.117 -0.048 0.000 1.114 322 I CA -0.985 60.294 61.300 -0.035 0.000 1.038 322 I CB 2.123 40.129 38.000 0.009 0.000 1.238 322 I HN -0.178 nan 8.210 nan 0.000 0.420 323 L N 5.710 126.892 121.223 -0.068 0.000 2.329 323 L HA 0.691 5.031 4.340 0.000 0.000 0.279 323 L C -0.567 176.271 176.870 -0.054 0.000 1.014 323 L CA -0.544 54.259 54.840 -0.061 0.000 0.814 323 L CB 1.992 43.951 42.059 -0.167 0.000 1.257 323 L HN 0.577 nan 8.230 nan 0.000 0.424 324 T N -0.852 113.644 114.554 -0.097 0.000 2.912 324 T HA 0.917 5.267 4.350 0.000 0.000 0.299 324 T C -0.258 174.157 174.700 -0.475 0.000 1.052 324 T CA -0.531 61.297 62.100 -0.453 0.000 0.996 324 T CB 2.412 70.789 68.868 -0.820 0.000 1.070 324 T HN 0.977 nan 8.240 nan 0.000 0.465 325 G N 0.870 109.306 108.800 -0.607 0.000 2.321 325 G HA2 0.527 4.487 3.960 0.000 0.000 0.296 325 G HA3 0.527 4.487 3.960 0.000 0.000 0.296 325 G C -2.232 172.602 174.900 -0.110 0.000 1.287 325 G CA -0.917 43.980 45.100 -0.338 0.000 0.846 325 G HN 0.620 nan 8.290 nan 0.000 0.508 326 F N -0.418 119.619 119.950 0.144 0.000 2.598 326 F HA 0.911 5.438 4.527 0.000 0.000 0.327 326 F C 0.897 176.635 175.800 -0.104 0.000 1.057 326 F CA 0.346 58.278 58.000 -0.112 0.000 0.957 326 F CB 2.439 40.925 39.000 -0.857 0.000 1.278 326 F HN 0.965 nan 8.300 nan 0.000 0.484 327 G N 0.364 109.258 108.800 0.157 0.000 2.554 327 G HA2 0.668 4.628 3.960 0.000 0.000 0.306 327 G HA3 0.668 4.628 3.960 0.000 0.000 0.306 327 G C -1.905 173.235 174.900 0.401 0.000 1.320 327 G CA -1.051 44.239 45.100 0.317 0.000 0.800 327 G HN 0.484 nan 8.290 nan 0.000 0.481 328 R N -1.232 119.476 120.500 0.348 0.000 2.744 328 R HA 0.673 5.013 4.340 0.000 0.000 0.279 328 R C -1.617 174.810 176.300 0.212 0.000 0.977 328 R CA -0.775 55.496 56.100 0.286 0.000 0.906 328 R CB 2.809 33.263 30.300 0.257 0.000 1.197 328 R HN 0.323 nan 8.270 nan 0.000 0.463 329 V N 2.350 122.373 119.914 0.180 0.000 2.482 329 V HA 0.173 4.293 4.120 0.000 0.000 0.295 329 V C 0.128 176.295 176.094 0.121 0.000 1.026 329 V CA -0.532 61.856 62.300 0.147 0.000 0.856 329 V CB 1.277 33.187 31.823 0.145 0.000 1.001 329 V HN 0.910 nan 8.190 nan 0.000 0.424 330 E N 3.580 123.843 120.200 0.106 0.000 2.586 330 E HA -0.302 4.048 4.350 0.000 0.000 0.259 330 E C 1.270 177.928 176.600 0.097 0.000 1.107 330 E CA 0.735 57.188 56.400 0.088 0.000 0.754 330 E CB -1.146 28.597 29.700 0.073 0.000 1.335 330 E HN 1.530 nan 8.360 nan 0.000 0.411 331 G N 0.005 108.876 108.800 0.119 0.000 2.195 331 G HA2 -0.357 3.603 3.960 0.000 0.000 0.246 331 G HA3 -0.357 3.603 3.960 0.000 0.000 0.246 331 G C 0.229 175.210 174.900 0.135 0.000 0.984 331 G CA 0.417 45.603 45.100 0.144 0.000 0.633 331 G HN 0.255 nan 8.290 nan 0.000 0.525 332 R N 1.185 121.757 120.500 0.120 0.000 2.265 332 R HA 0.477 4.817 4.340 0.000 0.000 0.319 332 R C -2.634 173.767 176.300 0.168 0.000 1.006 332 R CA -1.912 54.254 56.100 0.110 0.000 0.880 332 R CB 1.195 31.546 30.300 0.085 0.000 1.077 332 R HN 0.095 nan 8.270 nan 0.000 0.454 333 P HA -0.044 nan 4.420 nan 0.000 0.266 333 P C -0.813 176.654 177.300 0.277 0.000 1.195 333 P CA -0.110 63.171 63.100 0.301 0.000 0.768 333 P CB 0.769 32.637 31.700 0.280 0.000 0.838 334 V N 0.148 120.263 119.914 0.335 0.000 3.078 334 V HA 0.942 5.062 4.120 0.000 0.000 0.311 334 V C -0.135 176.200 176.094 0.401 0.000 1.138 334 V CA -0.992 61.493 62.300 0.308 0.000 1.007 334 V CB 1.905 33.876 31.823 0.247 0.000 1.045 334 V HN 0.597 nan 8.190 nan 0.000 0.432 335 G N 1.255 110.252 108.800 0.329 0.000 2.417 335 G HA2 0.769 4.729 3.960 0.000 0.000 0.334 335 G HA3 0.769 4.729 3.960 0.000 0.000 0.334 335 G C -1.361 173.737 174.900 0.329 0.000 1.150 335 G CA -0.754 44.529 45.100 0.305 0.000 0.923 335 G HN 0.742 nan 8.290 nan 0.000 0.485 336 I N 0.195 120.991 120.570 0.377 0.000 2.608 336 I HA 0.481 4.651 4.170 0.000 0.000 0.295 336 I C -0.520 175.728 176.117 0.218 0.000 1.049 336 I CA -0.838 60.624 61.300 0.271 0.000 1.063 336 I CB 2.650 40.728 38.000 0.131 0.000 1.248 336 I HN 0.202 nan 8.210 nan 0.000 0.424 337 V N 4.429 124.475 119.914 0.220 0.000 2.623 337 V HA 0.928 5.048 4.120 0.000 0.000 0.304 337 V C -0.677 175.513 176.094 0.159 0.000 1.054 337 V CA -0.465 61.939 62.300 0.173 0.000 0.882 337 V CB 1.646 33.624 31.823 0.257 0.000 1.002 337 V HN 0.874 nan 8.190 nan 0.000 0.424 338 A N 3.995 126.853 122.820 0.063 0.000 2.540 338 A HA 0.712 5.032 4.320 0.000 0.000 0.297 338 A C -0.806 176.758 177.584 -0.033 0.000 1.056 338 A CA -0.813 51.248 52.037 0.041 0.000 0.700 338 A CB 1.199 20.181 19.000 -0.029 0.000 1.280 338 A HN 0.838 nan 8.150 nan 0.000 0.398 339 N N 1.049 119.733 118.700 -0.026 0.000 2.518 339 N HA 0.395 5.135 4.740 0.000 0.000 0.266 339 N C -0.234 175.198 175.510 -0.129 0.000 1.196 339 N CA -0.007 53.009 53.050 -0.056 0.000 0.947 339 N CB 0.603 39.066 38.487 -0.040 0.000 1.098 339 N HN 0.619 nan 8.380 nan 0.000 0.450 340 Q N 2.734 122.448 119.800 -0.144 0.000 2.425 340 Q HA 0.357 4.697 4.340 0.000 0.000 0.254 340 Q C -2.347 173.530 176.000 -0.205 0.000 1.032 340 Q CA -2.180 53.498 55.803 -0.207 0.000 0.798 340 Q CB 1.520 30.148 28.738 -0.183 0.000 1.210 340 Q HN 0.328 nan 8.270 nan 0.000 0.491 341 P HA -0.169 nan 4.420 nan 0.000 0.219 341 P C 0.615 177.805 177.300 -0.183 0.000 1.146 341 P CA 1.462 64.410 63.100 -0.252 0.000 0.808 341 P CB 0.002 31.428 31.700 -0.456 0.000 0.779 342 M N -3.508 115.973 119.600 -0.199 0.000 2.563 342 M HA 0.133 4.613 4.480 0.000 0.000 0.231 342 M C -0.060 176.144 176.300 -0.159 0.000 1.136 342 M CA 1.050 56.266 55.300 -0.139 0.000 1.026 342 M CB -0.048 32.485 32.600 -0.112 0.000 1.597 342 M HN -0.185 nan 8.290 nan 0.000 0.495 343 Q N 1.100 120.780 119.800 -0.199 0.000 2.303 343 Q HA 0.377 4.718 4.340 0.000 0.000 0.267 343 Q C -0.578 175.270 176.000 -0.253 0.000 1.011 343 Q CA -0.372 55.208 55.803 -0.372 0.000 0.740 343 Q CB 1.125 29.605 28.738 -0.431 0.000 1.250 343 Q HN 0.640 nan 8.270 nan 0.000 0.458 344 F N 0.984 120.908 119.950 -0.044 0.000 3.084 344 F HA -0.379 4.148 4.527 0.000 0.000 0.286 344 F C 1.020 176.797 175.800 -0.039 0.000 0.855 344 F CA 0.363 58.339 58.000 -0.039 0.000 1.091 344 F CB -1.604 37.370 39.000 -0.042 0.000 1.177 344 F HN 0.785 nan 8.300 nan 0.000 0.542 345 A N -1.294 121.580 122.820 0.090 0.000 2.861 345 A HA 0.013 4.333 4.320 0.000 0.000 0.261 345 A C 1.943 179.538 177.584 0.019 0.000 1.351 345 A CA 1.701 53.761 52.037 0.039 0.000 0.904 345 A CB -1.970 17.061 19.000 0.052 0.000 1.076 345 A HN 2.476 nan 8.150 nan 0.000 0.729 346 G N -2.519 106.288 108.800 0.012 0.000 2.162 346 G HA2 -0.110 3.850 3.960 0.000 0.000 0.260 346 G HA3 -0.110 3.850 3.960 0.000 0.000 0.260 346 G C 1.413 176.326 174.900 0.022 0.000 0.976 346 G CA 1.275 46.368 45.100 -0.011 0.000 0.655 346 G HN 2.607 nan 8.290 nan 0.000 0.533 347 C N -0.184 119.151 119.300 0.060 0.000 2.700 347 C HA 0.707 5.167 4.460 0.000 0.000 0.397 347 C C 1.216 176.237 174.990 0.051 0.000 1.301 347 C CA -1.332 57.708 59.018 0.036 0.000 2.219 347 C CB 0.110 27.876 27.740 0.044 0.000 2.699 347 C HN 0.485 nan 8.230 nan 0.000 0.669 348 L N 3.638 124.878 121.223 0.029 0.000 2.307 348 L HA 0.525 4.865 4.340 0.000 0.000 0.282 348 L C 0.204 177.171 176.870 0.162 0.000 1.051 348 L CA 0.238 55.139 54.840 0.102 0.000 0.804 348 L CB 1.054 43.191 42.059 0.130 0.000 1.197 348 L HN 0.963 nan 8.230 nan 0.000 0.431 349 D N 2.005 122.478 120.400 0.120 0.000 2.798 349 D HA 0.261 4.901 4.640 0.000 0.000 0.308 349 D C 0.911 177.249 176.300 0.064 0.000 1.187 349 D CA -0.655 53.389 54.000 0.074 0.000 1.033 349 D CB 0.858 41.646 40.800 -0.019 0.000 1.445 349 D HN 0.281 nan 8.370 nan 0.000 0.550 350 I N 0.132 120.719 120.570 0.029 0.000 2.099 350 I HA -0.290 3.880 4.170 0.000 0.000 0.239 350 I C 2.508 178.656 176.117 0.052 0.000 1.066 350 I CA 2.528 63.852 61.300 0.040 0.000 1.324 350 I CB -0.566 37.452 38.000 0.030 0.000 1.037 350 I HN 0.637 nan 8.210 nan 0.000 0.401 351 T N -0.392 114.165 114.554 0.004 0.000 2.720 351 T HA -0.182 4.168 4.350 0.000 0.000 0.268 351 T C 1.967 176.631 174.700 -0.060 0.000 1.037 351 T CA 1.193 63.258 62.100 -0.058 0.000 1.144 351 T CB -0.672 67.959 68.868 -0.395 0.000 0.864 351 T HN 0.382 nan 8.240 nan 0.000 0.444 352 A N 1.446 124.238 122.820 -0.048 0.000 1.930 352 A HA 0.027 4.347 4.320 0.000 0.000 0.217 352 A C 2.713 180.346 177.584 0.082 0.000 1.175 352 A CA 1.802 53.844 52.037 0.009 0.000 0.627 352 A CB -1.015 18.005 19.000 0.033 0.000 0.815 352 A HN 0.529 nan 8.150 nan 0.000 0.443 353 S N -0.199 115.561 115.700 0.099 0.000 2.356 353 S HA -0.154 4.316 4.470 0.000 0.000 0.223 353 S C 1.851 176.524 174.600 0.122 0.000 1.032 353 S CA 1.535 59.809 58.200 0.123 0.000 1.005 353 S CB -0.294 62.981 63.200 0.124 0.000 0.867 353 S HN 0.714 nan 8.310 nan 0.000 0.449 354 E N 0.949 121.228 120.200 0.132 0.000 2.107 354 E HA -0.128 4.222 4.350 0.000 0.000 0.191 354 E C 2.106 178.815 176.600 0.182 0.000 0.982 354 E CA 0.693 57.179 56.400 0.143 0.000 0.809 354 E CB -0.087 29.708 29.700 0.158 0.000 0.756 354 E HN 0.418 nan 8.360 nan 0.000 0.459 355 K N 1.193 121.734 120.400 0.235 0.000 2.002 355 K HA -0.143 4.177 4.320 0.000 0.000 0.209 355 K C 2.181 178.907 176.600 0.210 0.000 1.048 355 K CA 1.345 57.792 56.287 0.266 0.000 0.930 355 K CB -0.125 32.544 32.500 0.281 0.000 0.714 355 K HN 0.066 nan 8.250 nan 0.000 0.438 356 A N 0.957 123.875 122.820 0.163 0.000 1.930 356 A HA -0.026 4.294 4.320 0.000 0.000 0.217 356 A C 2.319 179.980 177.584 0.129 0.000 1.175 356 A CA 1.664 53.795 52.037 0.158 0.000 0.627 356 A CB -0.753 18.325 19.000 0.130 0.000 0.815 356 A HN 0.513 nan 8.150 nan 0.000 0.443 357 A N 0.041 122.918 122.820 0.095 0.000 1.865 357 A HA -0.214 4.106 4.320 0.000 0.000 0.217 357 A C 2.235 179.851 177.584 0.053 0.000 1.191 357 A CA 2.071 54.135 52.037 0.045 0.000 0.623 357 A CB -0.508 18.530 19.000 0.062 0.000 0.826 357 A HN 0.522 nan 8.150 nan 0.000 0.444 358 R N -1.884 118.675 120.500 0.099 0.000 2.092 358 R HA -0.106 4.234 4.340 0.000 0.000 0.231 358 R C 1.876 178.240 176.300 0.107 0.000 1.119 358 R CA 1.607 57.759 56.100 0.085 0.000 0.970 358 R CB -0.505 29.857 30.300 0.103 0.000 0.864 358 R HN 0.481 nan 8.270 nan 0.000 0.440 359 F N 0.165 120.138 119.950 0.038 0.000 2.102 359 F HA -0.178 4.349 4.527 0.000 0.000 0.298 359 F C 1.851 177.665 175.800 0.023 0.000 1.105 359 F CA 1.461 59.492 58.000 0.053 0.000 1.239 359 F CB -0.415 38.623 39.000 0.062 0.000 0.991 359 F HN -0.174 nan 8.300 nan 0.000 0.474 360 V N 1.193 121.089 119.914 -0.030 0.000 2.295 360 V HA -0.303 3.817 4.120 0.000 0.000 0.246 360 V C 2.553 178.555 176.094 -0.154 0.000 1.049 360 V CA 2.182 64.379 62.300 -0.173 0.000 1.024 360 V CB -0.669 30.966 31.823 -0.313 0.000 0.648 360 V HN 0.279 nan 8.190 nan 0.000 0.447 361 R N -0.217 120.228 120.500 -0.092 0.000 2.120 361 R HA -0.127 4.213 4.340 0.000 0.000 0.234 361 R C 2.307 178.563 176.300 -0.073 0.000 1.123 361 R CA 1.841 57.904 56.100 -0.061 0.000 0.975 361 R CB -0.906 29.382 30.300 -0.020 0.000 0.866 361 R HN 0.540 nan 8.270 nan 0.000 0.446 362 T N 0.791 115.299 114.554 -0.077 0.000 2.674 362 T HA -0.158 4.192 4.350 0.000 0.000 0.265 362 T C 2.190 176.936 174.700 0.077 0.000 1.039 362 T CA 1.403 63.510 62.100 0.012 0.000 1.150 362 T CB -0.418 68.440 68.868 -0.017 0.000 0.864 362 T HN 0.315 nan 8.240 nan 0.000 0.427 363 C N 1.399 120.648 119.300 -0.086 0.000 2.413 363 C HA -0.118 4.342 4.460 0.000 0.000 0.276 363 C C 2.692 177.706 174.990 0.039 0.000 1.236 363 C CA 0.860 59.879 59.018 0.003 0.000 1.735 363 C CB -1.085 26.568 27.740 -0.144 0.000 2.031 363 C HN 0.654 nan 8.230 nan 0.000 0.474 364 D N 0.586 120.967 120.400 -0.031 0.000 2.097 364 D HA -0.104 4.536 4.640 0.000 0.000 0.195 364 D C 2.170 178.424 176.300 -0.076 0.000 0.989 364 D CA 1.775 55.755 54.000 -0.034 0.000 0.827 364 D CB -0.233 40.540 40.800 -0.046 0.000 0.966 364 D HN 0.387 nan 8.370 nan 0.000 0.456 365 A N -0.586 122.136 122.820 -0.163 0.000 1.940 365 A HA -0.120 4.200 4.320 0.000 0.000 0.219 365 A C 1.468 178.745 177.584 -0.511 0.000 1.176 365 A CA 1.071 52.877 52.037 -0.385 0.000 0.631 365 A CB -0.800 17.850 19.000 -0.583 0.000 0.814 365 A HN 0.344 nan 8.150 nan 0.000 0.446 366 F N 0.131 120.098 119.950 0.028 0.000 2.730 366 F HA 0.246 4.773 4.527 0.000 0.000 0.295 366 F C 0.509 176.329 175.800 0.034 0.000 1.143 366 F CA -0.561 57.460 58.000 0.035 0.000 1.367 366 F CB -0.342 38.690 39.000 0.054 0.000 0.970 366 F HN 0.247 nan 8.300 nan 0.000 0.514 367 N N -0.377 118.392 118.700 0.114 0.000 2.725 367 N HA -0.166 4.574 4.740 0.000 0.000 0.249 367 N C -0.696 174.881 175.510 0.111 0.000 1.103 367 N CA 0.452 53.556 53.050 0.090 0.000 0.707 367 N CB -1.653 36.881 38.487 0.079 0.000 1.043 367 N HN 0.102 nan 8.380 nan 0.000 0.553 368 V N 1.010 121.008 119.914 0.140 0.000 2.383 368 V HA 0.316 4.436 4.120 0.000 0.000 0.275 368 V C -1.784 174.390 176.094 0.134 0.000 1.036 368 V CA -1.372 61.027 62.300 0.165 0.000 0.889 368 V CB 1.603 33.580 31.823 0.256 0.000 0.985 368 V HN -0.088 nan 8.190 nan 0.000 0.459 369 P HA 0.141 nan 4.420 nan 0.000 0.269 369 P C -0.776 176.603 177.300 0.132 0.000 1.215 369 P CA 0.040 63.208 63.100 0.112 0.000 0.780 369 P CB 0.587 32.353 31.700 0.109 0.000 0.898 370 V N 4.100 124.083 119.914 0.116 0.000 2.448 370 V HA 0.336 4.456 4.120 0.000 0.000 0.295 370 V C 0.016 176.186 176.094 0.125 0.000 1.025 370 V CA -0.494 61.891 62.300 0.142 0.000 0.859 370 V CB 1.238 33.147 31.823 0.143 0.000 0.988 370 V HN 0.324 nan 8.190 nan 0.000 0.431 371 L N 4.265 125.569 121.223 0.134 0.000 2.296 371 L HA 0.651 4.991 4.340 0.000 0.000 0.286 371 L C 0.016 176.893 176.870 0.011 0.000 1.023 371 L CA -0.193 54.662 54.840 0.026 0.000 0.812 371 L CB 1.892 44.000 42.059 0.081 0.000 1.223 371 L HN 0.554 nan 8.230 nan 0.000 0.421 372 T N 2.575 117.023 114.554 -0.176 0.000 2.807 372 T HA 0.603 4.953 4.350 0.000 0.000 0.279 372 T C -0.734 173.727 174.700 -0.398 0.000 0.993 372 T CA -0.317 61.717 62.100 -0.109 0.000 0.970 372 T CB 0.961 69.802 68.868 -0.046 0.000 0.950 372 T HN 0.092 nan 8.240 nan 0.000 0.441 373 F N 1.948 121.844 119.950 -0.090 0.000 2.449 373 F HA 0.566 5.093 4.527 0.000 0.000 0.342 373 F C -0.063 175.647 175.800 -0.149 0.000 1.127 373 F CA -1.036 56.871 58.000 -0.156 0.000 0.975 373 F CB 1.436 40.332 39.000 -0.172 0.000 1.146 373 F HN 0.183 nan 8.300 nan 0.000 0.444 374 V N 2.559 122.436 119.914 -0.061 0.000 2.435 374 V HA 0.487 4.607 4.120 0.000 0.000 0.290 374 V C -0.869 175.186 176.094 -0.065 0.000 1.030 374 V CA -0.500 61.760 62.300 -0.068 0.000 0.881 374 V CB 1.683 33.447 31.823 -0.099 0.000 0.983 374 V HN 0.692 nan 8.190 nan 0.000 0.445 375 D N 3.528 123.909 120.400 -0.032 0.000 2.826 375 D HA 0.186 4.826 4.640 0.000 0.000 0.239 375 D C -1.567 174.732 176.300 -0.001 0.000 1.329 375 D CA -0.015 53.982 54.000 -0.005 0.000 0.854 375 D CB 1.608 42.428 40.800 0.033 0.000 1.494 375 D HN 0.383 nan 8.370 nan 0.000 0.540 376 V N 4.448 124.365 119.914 0.006 0.000 2.483 376 V HA 0.576 4.696 4.120 0.000 0.000 0.297 376 V C -1.923 174.221 176.094 0.083 0.000 1.027 376 V CA -2.011 60.294 62.300 0.009 0.000 0.855 376 V CB 2.485 34.282 31.823 -0.043 0.000 0.995 376 V HN 0.164 nan 8.190 nan 0.000 0.424 377 P HA 0.293 nan 4.420 nan 0.000 0.231 377 P C 0.602 177.938 177.300 0.059 0.000 1.168 377 P CA 1.389 64.596 63.100 0.179 0.000 0.779 377 P CB 0.563 32.306 31.700 0.072 0.000 0.844 378 G N -0.734 108.017 108.800 -0.082 0.000 2.332 378 G HA2 0.175 4.135 3.960 0.000 0.000 0.265 378 G HA3 0.175 4.135 3.960 0.000 0.000 0.265 378 G C -1.676 173.001 174.900 -0.371 0.000 1.329 378 G CA -0.941 43.996 45.100 -0.272 0.000 0.949 378 G HN -0.026 nan 8.290 nan 0.000 0.476 379 F N 0.025 119.998 119.950 0.037 0.000 2.397 379 F HA 0.634 5.161 4.527 0.000 0.000 0.331 379 F C 0.708 176.501 175.800 -0.012 0.000 1.090 379 F CA -0.742 57.268 58.000 0.016 0.000 1.065 379 F CB 1.615 40.624 39.000 0.014 0.000 1.184 379 F HN 0.370 nan 8.300 nan 0.000 0.499 380 L N 5.306 126.614 121.223 0.142 0.000 2.500 380 L HA 0.301 4.641 4.340 0.000 0.000 0.272 380 L C -2.377 174.502 176.870 0.015 0.000 1.149 380 L CA -1.435 53.418 54.840 0.022 0.000 0.897 380 L CB -0.301 41.720 42.059 -0.064 0.000 1.178 380 L HN 0.305 nan 8.230 nan 0.000 0.473 381 P HA 0.568 nan 4.420 nan 0.000 0.275 381 P C -0.750 176.517 177.300 -0.056 0.000 1.227 381 P CA -0.338 62.750 63.100 -0.019 0.000 0.781 381 P CB 1.196 32.884 31.700 -0.020 0.000 0.906 382 G N 0.288 109.048 108.800 -0.066 0.000 2.341 382 G HA2 0.141 4.101 3.960 0.000 0.000 0.300 382 G HA3 0.141 4.101 3.960 0.000 0.000 0.300 382 G C 0.277 175.103 174.900 -0.122 0.000 1.706 382 G CA -0.677 44.368 45.100 -0.091 0.000 0.916 382 G HN 0.242 nan 8.290 nan 0.000 0.716 383 V N 1.743 121.563 119.914 -0.158 0.000 2.392 383 V HA -0.159 3.961 4.120 0.000 0.000 0.249 383 V C 2.837 178.748 176.094 -0.305 0.000 1.059 383 V CA 2.758 64.888 62.300 -0.283 0.000 1.051 383 V CB -0.382 31.263 31.823 -0.295 0.000 0.658 383 V HN 0.919 nan 8.190 nan 0.000 0.455 384 D N -0.628 119.672 120.400 -0.167 0.000 2.144 384 D HA -0.252 4.388 4.640 0.000 0.000 0.199 384 D C 1.930 178.198 176.300 -0.054 0.000 0.984 384 D CA 1.191 55.139 54.000 -0.086 0.000 0.834 384 D CB -0.403 40.363 40.800 -0.056 0.000 0.955 384 D HN 0.388 nan 8.370 nan 0.000 0.465 385 Q N 0.347 120.104 119.800 -0.071 0.000 2.084 385 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 385 Q C 2.154 178.135 176.000 -0.032 0.000 0.978 385 Q CA 1.020 56.796 55.803 -0.046 0.000 0.844 385 Q CB -0.184 28.523 28.738 -0.051 0.000 0.898 385 Q HN 0.464 nan 8.270 nan 0.000 0.426 386 E N 0.023 120.190 120.200 -0.056 0.000 2.028 386 E HA -0.146 4.204 4.350 0.000 0.000 0.191 386 E C 1.966 178.633 176.600 0.113 0.000 0.988 386 E CA 1.009 57.405 56.400 -0.008 0.000 0.799 386 E CB -0.256 29.420 29.700 -0.041 0.000 0.755 386 E HN 0.446 nan 8.360 nan 0.000 0.447 387 H N 0.757 119.813 119.070 -0.024 0.000 2.457 387 H HA -0.047 4.509 4.556 0.000 0.000 0.294 387 H C 1.183 176.501 175.328 -0.016 0.000 1.064 387 H CA 0.999 57.035 56.048 -0.019 0.000 1.330 387 H CB -0.140 29.612 29.762 -0.016 0.000 1.395 387 H HN 0.108 nan 8.280 nan 0.000 0.541 388 D N -0.868 119.596 120.400 0.106 0.000 2.349 388 D HA 0.120 4.760 4.640 0.000 0.000 0.224 388 D C 1.174 177.495 176.300 0.035 0.000 1.029 388 D CA 0.873 54.907 54.000 0.057 0.000 0.879 388 D CB 0.166 40.990 40.800 0.039 0.000 0.906 388 D HN 0.520 nan 8.370 nan 0.000 0.528 389 G N 1.102 109.921 108.800 0.032 0.000 2.167 389 G HA2 -0.278 3.682 3.960 0.000 0.000 0.194 389 G HA3 -0.278 3.682 3.960 0.000 0.000 0.194 389 G C 0.945 175.842 174.900 -0.004 0.000 1.027 389 G CA 0.186 45.293 45.100 0.011 0.000 0.717 389 G HN 0.296 nan 8.290 nan 0.000 0.501 390 I N 0.387 120.948 120.570 -0.015 0.000 2.335 390 I HA -0.097 4.073 4.170 0.000 0.000 0.251 390 I C 2.473 178.550 176.117 -0.067 0.000 1.129 390 I CA 1.866 63.142 61.300 -0.040 0.000 1.402 390 I CB -0.191 37.771 38.000 -0.064 0.000 1.069 390 I HN 0.505 nan 8.210 nan 0.000 0.424 391 I N 0.808 121.338 120.570 -0.066 0.000 2.163 391 I HA -0.333 3.837 4.170 0.000 0.000 0.243 391 I C 2.642 178.733 176.117 -0.044 0.000 1.085 391 I CA 2.045 63.302 61.300 -0.072 0.000 1.347 391 I CB -0.502 37.467 38.000 -0.052 0.000 1.044 391 I HN 0.336 nan 8.210 nan 0.000 0.408 392 R N 0.855 121.339 120.500 -0.027 0.000 2.173 392 R HA 0.032 4.372 4.340 0.000 0.000 0.208 392 R C 2.157 178.450 176.300 -0.013 0.000 1.035 392 R CA 0.483 56.572 56.100 -0.019 0.000 1.004 392 R CB -0.319 29.969 30.300 -0.020 0.000 0.917 392 R HN 0.258 nan 8.270 nan 0.000 0.462 393 R N 0.733 121.230 120.500 -0.006 0.000 2.100 393 R HA 0.110 4.450 4.340 0.000 0.000 0.220 393 R C 2.398 178.714 176.300 0.028 0.000 1.091 393 R CA 1.066 57.172 56.100 0.011 0.000 0.986 393 R CB -0.210 30.102 30.300 0.021 0.000 0.888 393 R HN 0.401 nan 8.270 nan 0.000 0.444 394 G N 0.964 109.773 108.800 0.014 0.000 2.448 394 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 394 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 394 G C 1.474 176.411 174.900 0.061 0.000 1.135 394 G CA 0.576 45.699 45.100 0.039 0.000 0.784 394 G HN 0.359 nan 8.290 nan 0.000 0.543 395 A N 0.632 123.474 122.820 0.037 0.000 2.172 395 A HA 0.085 4.405 4.320 0.000 0.000 0.216 395 A C 2.203 179.855 177.584 0.113 0.000 1.154 395 A CA 1.520 53.600 52.037 0.071 0.000 0.701 395 A CB -0.248 18.783 19.000 0.051 0.000 0.789 395 A HN 0.401 nan 8.150 nan 0.000 0.465 396 K N -0.453 119.995 120.400 0.079 0.000 2.097 396 K HA -0.003 4.317 4.320 0.000 0.000 0.206 396 K C 1.778 178.460 176.600 0.136 0.000 1.049 396 K CA 1.076 57.409 56.287 0.077 0.000 0.933 396 K CB -0.280 32.237 32.500 0.029 0.000 0.717 396 K HN 0.468 nan 8.250 nan 0.000 0.442 397 L N 1.027 122.332 121.223 0.136 0.000 2.056 397 L HA -0.173 4.167 4.340 0.000 0.000 0.207 397 L C 2.232 179.233 176.870 0.219 0.000 1.078 397 L CA 1.190 56.120 54.840 0.149 0.000 0.749 397 L CB -0.161 42.011 42.059 0.189 0.000 0.901 397 L HN 0.217 nan 8.230 nan 0.000 0.433 398 I N -1.145 119.559 120.570 0.224 0.000 2.179 398 I HA -0.376 3.794 4.170 0.000 0.000 0.242 398 I C 2.362 178.599 176.117 0.200 0.000 1.088 398 I CA 1.514 62.942 61.300 0.212 0.000 1.357 398 I CB -0.302 37.792 38.000 0.155 0.000 1.051 398 I HN 0.164 nan 8.210 nan 0.000 0.409 399 F N 1.419 121.406 119.950 0.062 0.000 2.126 399 F HA -0.276 4.251 4.527 0.000 0.000 0.299 399 F C 2.504 178.317 175.800 0.022 0.000 1.096 399 F CA 1.604 59.626 58.000 0.037 0.000 1.255 399 F CB -0.185 38.828 39.000 0.021 0.000 0.997 399 F HN 0.015 nan 8.300 nan 0.000 0.479 400 A N -0.766 122.203 122.820 0.248 0.000 1.902 400 A HA -0.223 4.097 4.320 0.000 0.000 0.217 400 A C 1.950 179.515 177.584 -0.031 0.000 1.181 400 A CA 1.750 53.831 52.037 0.073 0.000 0.623 400 A CB -1.402 17.564 19.000 -0.056 0.000 0.818 400 A HN 0.508 nan 8.150 nan 0.000 0.443 401 Y N -0.298 120.021 120.300 0.032 0.000 2.220 401 Y HA 0.017 4.567 4.550 0.000 0.000 0.291 401 Y C 2.895 178.760 175.900 -0.059 0.000 1.129 401 Y CA 0.675 58.767 58.100 -0.013 0.000 1.161 401 Y CB -0.588 37.859 38.460 -0.021 0.000 0.997 401 Y HN 0.316 nan 8.280 nan 0.000 0.522 402 A N -0.219 122.642 122.820 0.069 0.000 1.969 402 A HA -0.197 4.123 4.320 0.000 0.000 0.218 402 A C 2.153 179.660 177.584 -0.128 0.000 1.169 402 A CA 1.708 53.711 52.037 -0.057 0.000 0.635 402 A CB -0.583 18.341 19.000 -0.126 0.000 0.810 402 A HN 0.545 nan 8.150 nan 0.000 0.445 403 E N 0.190 120.287 120.200 -0.172 0.000 2.158 403 E HA 0.158 4.508 4.350 0.000 0.000 0.191 403 E C 0.971 177.532 176.600 -0.065 0.000 0.982 403 E CA 0.414 56.713 56.400 -0.168 0.000 0.823 403 E CB -0.202 29.399 29.700 -0.165 0.000 0.766 403 E HN 0.511 nan 8.360 nan 0.000 0.468 404 A N 0.836 123.640 122.820 -0.026 0.000 2.540 404 A HA 0.066 4.386 4.320 0.000 0.000 0.239 404 A C 0.882 178.464 177.584 -0.003 0.000 1.061 404 A CA 0.727 52.761 52.037 -0.006 0.000 0.758 404 A CB 0.236 19.249 19.000 0.023 0.000 0.991 404 A HN 0.388 nan 8.150 nan 0.000 0.502 405 T N -0.505 114.046 114.554 -0.006 0.000 3.040 405 T HA 0.328 4.678 4.350 0.000 0.000 0.266 405 T C 0.519 175.223 174.700 0.007 0.000 1.005 405 T CA 0.464 62.561 62.100 -0.004 0.000 0.906 405 T CB -1.168 67.693 68.868 -0.012 0.000 1.082 405 T HN 1.068 nan 8.240 nan 0.000 0.531 406 V N -0.695 119.228 119.914 0.016 0.000 3.264 406 V HA 0.498 4.618 4.120 0.000 0.000 0.304 406 V C -2.763 173.353 176.094 0.036 0.000 1.086 406 V CA -2.572 59.745 62.300 0.029 0.000 1.090 406 V CB -0.205 31.642 31.823 0.040 0.000 1.112 406 V HN -0.055 nan 8.190 nan 0.000 0.472 407 P HA 0.344 nan 4.420 nan 0.000 0.266 407 P C -0.879 176.449 177.300 0.047 0.000 1.195 407 P CA 0.312 63.435 63.100 0.039 0.000 0.768 407 P CB 0.238 31.965 31.700 0.044 0.000 0.838 408 L N 4.484 125.726 121.223 0.031 0.000 2.404 408 L HA 0.525 4.865 4.340 0.000 0.000 0.272 408 L C -0.308 176.552 176.870 -0.017 0.000 0.980 408 L CA -0.354 54.504 54.840 0.030 0.000 0.836 408 L CB 1.328 43.410 42.059 0.038 0.000 1.238 408 L HN 0.242 nan 8.230 nan 0.000 0.408 409 I N 2.128 122.677 120.570 -0.035 0.000 2.465 409 I HA 0.474 4.644 4.170 0.000 0.000 0.291 409 I C -0.408 175.606 176.117 -0.171 0.000 1.014 409 I CA -0.248 61.001 61.300 -0.085 0.000 1.093 409 I CB 2.472 40.437 38.000 -0.058 0.000 1.267 409 I HN 0.481 nan 8.210 nan 0.000 0.431 410 T N 5.246 119.673 114.554 -0.213 0.000 2.841 410 T HA 0.577 4.927 4.350 0.000 0.000 0.283 410 T C -0.634 173.875 174.700 -0.318 0.000 1.000 410 T CA -0.505 61.419 62.100 -0.294 0.000 0.977 410 T CB 2.259 70.962 68.868 -0.274 0.000 0.979 410 T HN 0.176 nan 8.240 nan 0.000 0.446 411 V N 4.175 123.825 119.914 -0.439 0.000 2.483 411 V HA 0.471 4.591 4.120 0.000 0.000 0.297 411 V C -0.389 175.475 176.094 -0.385 0.000 1.027 411 V CA -0.791 61.267 62.300 -0.404 0.000 0.855 411 V CB 1.554 33.090 31.823 -0.478 0.000 0.995 411 V HN 0.807 nan 8.190 nan 0.000 0.424 412 I N 4.799 125.172 120.570 -0.328 0.000 2.304 412 I HA 0.226 4.396 4.170 0.000 0.000 0.291 412 I C 1.630 177.472 176.117 -0.457 0.000 1.018 412 I CA -0.047 61.080 61.300 -0.289 0.000 1.260 412 I CB 1.862 39.758 38.000 -0.173 0.000 1.390 412 I HN 0.856 nan 8.210 nan 0.000 0.475 413 T N 3.536 117.784 114.554 -0.509 0.000 2.706 413 T HA -0.009 4.341 4.350 0.000 0.000 0.255 413 T C 1.596 176.167 174.700 -0.215 0.000 1.048 413 T CA 0.775 62.451 62.100 -0.706 0.000 1.153 413 T CB 0.238 68.631 68.868 -0.792 0.000 0.865 413 T HN 0.627 nan 8.240 nan 0.000 0.414 414 R N 0.550 120.988 120.500 -0.103 0.000 4.650 414 R HA 0.348 4.688 4.340 0.000 0.000 0.128 414 R C -0.429 175.838 176.300 -0.054 0.000 1.329 414 R CA -0.394 55.695 56.100 -0.019 0.000 0.975 414 R CB 0.577 30.930 30.300 0.087 0.000 1.371 414 R HN 0.104 nan 8.270 nan 0.000 0.424 415 K N 0.909 121.304 120.400 -0.008 0.000 2.276 415 K HA 0.452 4.772 4.320 0.000 0.000 0.283 415 K C -1.183 175.327 176.600 -0.149 0.000 1.044 415 K CA 0.096 56.349 56.287 -0.056 0.000 0.944 415 K CB 1.822 34.421 32.500 0.166 0.000 1.012 415 K HN 0.392 nan 8.250 nan 0.000 0.472 416 A N 4.285 126.863 122.820 -0.405 0.000 3.005 416 A HA 0.387 4.707 4.320 0.000 0.000 0.308 416 A C -1.398 175.974 177.584 -0.353 0.000 1.173 416 A CA -0.693 51.217 52.037 -0.212 0.000 0.796 416 A CB 0.001 18.943 19.000 -0.097 0.000 1.325 416 A HN 0.549 nan 8.150 nan 0.000 0.467 417 F N 1.021 120.976 119.950 0.009 0.000 2.450 417 F HA 0.659 5.186 4.527 0.000 0.000 0.332 417 F C 1.384 177.197 175.800 0.023 0.000 1.093 417 F CA 0.657 58.658 58.000 0.002 0.000 1.003 417 F CB 1.679 40.668 39.000 -0.018 0.000 1.151 417 F HN 0.948 nan 8.300 nan 0.000 0.474 418 G N 1.792 110.756 108.800 0.273 0.000 2.602 418 G HA2 -0.279 3.681 3.960 0.000 0.000 0.306 418 G HA3 -0.279 3.681 3.960 0.000 0.000 0.306 418 G C 1.293 176.336 174.900 0.239 0.000 1.301 418 G CA 0.208 45.444 45.100 0.226 0.000 0.974 418 G HN 1.245 nan 8.290 nan 0.000 0.547 419 G N -0.332 108.638 108.800 0.284 0.000 2.469 419 G HA2 0.142 4.102 3.960 0.000 0.000 0.220 419 G HA3 0.142 4.102 3.960 0.000 0.000 0.220 419 G C 2.184 177.232 174.900 0.247 0.000 1.136 419 G CA 3.038 48.353 45.100 0.358 0.000 0.759 419 G HN 1.888 nan 8.290 nan 0.000 0.562 420 A N 0.244 122.975 122.820 -0.149 0.000 1.940 420 A HA -0.104 4.216 4.320 0.000 0.000 0.219 420 A C 2.175 179.723 177.584 -0.060 0.000 1.176 420 A CA 1.850 53.691 52.037 -0.326 0.000 0.631 420 A CB -0.701 17.930 19.000 -0.616 0.000 0.814 420 A HN 0.617 nan 8.150 nan 0.000 0.446 421 Y N 0.930 121.185 120.300 -0.075 0.000 2.165 421 Y HA -0.204 4.346 4.550 0.000 0.000 0.286 421 Y C 2.131 178.012 175.900 -0.031 0.000 1.155 421 Y CA 1.999 60.062 58.100 -0.062 0.000 1.164 421 Y CB -0.614 37.818 38.460 -0.047 0.000 0.978 421 Y HN 0.053 nan 8.280 nan 0.000 0.513 422 V N -0.438 119.276 119.914 -0.334 0.000 2.358 422 V HA -0.286 3.834 4.120 0.000 0.000 0.246 422 V C 2.455 178.403 176.094 -0.243 0.000 1.047 422 V CA 1.707 63.784 62.300 -0.372 0.000 1.035 422 V CB -1.005 30.776 31.823 -0.070 0.000 0.658 422 V HN 0.388 nan 8.190 nan 0.000 0.452 423 V N -0.862 119.008 119.914 -0.073 0.000 2.343 423 V HA -0.165 3.955 4.120 0.000 0.000 0.247 423 V C 1.629 177.686 176.094 -0.062 0.000 1.051 423 V CA 1.149 63.465 62.300 0.026 0.000 1.036 423 V CB -0.595 31.334 31.823 0.176 0.000 0.654 423 V HN 0.440 nan 8.190 nan 0.000 0.451 424 M N 1.114 120.618 119.600 -0.160 0.000 3.596 424 M HA 0.254 4.734 4.480 0.000 0.000 0.212 424 M C 1.299 177.267 176.300 -0.553 0.000 1.519 424 M CA 0.391 55.557 55.300 -0.223 0.000 1.670 424 M CB -1.292 31.233 32.600 -0.126 0.000 1.113 424 M HN 0.472 nan 8.290 nan 0.000 0.565 425 G N 2.062 110.162 108.800 -1.166 0.000 2.366 425 G HA2 -0.243 3.717 3.960 0.000 0.000 0.299 425 G HA3 -0.243 3.717 3.960 0.000 0.000 0.299 425 G C 0.440 174.950 174.900 -0.650 0.000 1.020 425 G CA 0.568 44.899 45.100 -1.281 0.000 1.026 425 G HN 0.750 nan 8.290 nan 0.000 0.512 426 S N -1.283 114.069 115.700 -0.580 0.000 2.600 426 S HA 0.393 4.863 4.470 0.000 0.000 0.265 426 S C 1.477 175.781 174.600 -0.493 0.000 1.325 426 S CA 0.348 58.200 58.200 -0.580 0.000 1.002 426 S CB 1.670 64.429 63.200 -0.735 0.000 0.921 426 S HN 0.545 nan 8.310 nan 0.000 0.554 427 K N 0.102 120.159 120.400 -0.571 0.000 2.209 427 K HA -0.149 4.171 4.320 0.000 0.000 0.204 427 K C 1.603 177.950 176.600 -0.421 0.000 1.048 427 K CA 1.306 57.326 56.287 -0.444 0.000 0.940 427 K CB -0.330 31.940 32.500 -0.382 0.000 0.729 427 K HN 0.754 nan 8.250 nan 0.000 0.451 428 H N 0.388 119.325 119.070 -0.221 0.000 2.456 428 H HA -0.098 4.458 4.556 0.000 0.000 0.296 428 H C 1.820 177.059 175.328 -0.149 0.000 1.079 428 H CA 1.038 56.968 56.048 -0.196 0.000 1.322 428 H CB -0.017 29.599 29.762 -0.242 0.000 1.388 428 H HN 0.256 nan 8.280 nan 0.000 0.538 429 L N -0.798 120.363 121.223 -0.103 0.000 2.509 429 L HA 0.171 4.511 4.340 0.000 0.000 0.222 429 L C 1.454 178.283 176.870 -0.068 0.000 1.123 429 L CA 0.718 55.514 54.840 -0.073 0.000 0.856 429 L CB 0.415 42.425 42.059 -0.080 0.000 0.985 429 L HN 0.447 nan 8.230 nan 0.000 0.456 430 G N -0.388 108.354 108.800 -0.097 0.000 2.227 430 G HA2 -0.130 3.830 3.960 0.000 0.000 0.168 430 G HA3 -0.130 3.830 3.960 0.000 0.000 0.168 430 G C 0.377 175.231 174.900 -0.077 0.000 1.006 430 G CA -0.234 44.824 45.100 -0.070 0.000 0.684 430 G HN 0.345 nan 8.290 nan 0.000 0.489 431 A N 0.580 123.323 122.820 -0.129 0.000 2.565 431 A HA 0.459 4.779 4.320 0.000 0.000 0.237 431 A C 1.257 178.785 177.584 -0.093 0.000 1.053 431 A CA 1.145 53.107 52.037 -0.126 0.000 0.755 431 A CB 0.280 19.155 19.000 -0.209 0.000 0.980 431 A HN 0.245 nan 8.150 nan 0.000 0.506 432 D N 1.016 121.380 120.400 -0.059 0.000 2.216 432 D HA 0.096 4.736 4.640 0.000 0.000 0.208 432 D C 0.113 176.390 176.300 -0.037 0.000 0.960 432 D CA 1.151 55.129 54.000 -0.038 0.000 0.861 432 D CB 0.100 40.891 40.800 -0.016 0.000 0.985 432 D HN 0.462 nan 8.370 nan 0.000 0.493 433 L N 1.060 122.254 121.223 -0.048 0.000 2.439 433 L HA 0.344 4.684 4.340 0.000 0.000 0.270 433 L C -1.165 175.656 176.870 -0.081 0.000 0.972 433 L CA -0.653 54.161 54.840 -0.043 0.000 0.836 433 L CB 1.970 44.022 42.059 -0.012 0.000 1.255 433 L HN -0.309 nan 8.230 nan 0.000 0.404 434 N N 4.147 122.795 118.700 -0.087 0.000 2.442 434 N HA 0.689 5.429 4.740 0.000 0.000 0.274 434 N C -1.250 174.198 175.510 -0.104 0.000 1.002 434 N CA -0.414 52.568 53.050 -0.114 0.000 0.910 434 N CB 1.843 40.261 38.487 -0.114 0.000 1.244 434 N HN 0.357 nan 8.380 nan 0.000 0.492 435 L N 1.070 122.214 121.223 -0.131 0.000 2.322 435 L HA 0.965 5.305 4.340 0.000 0.000 0.269 435 L C -0.207 176.594 176.870 -0.116 0.000 1.012 435 L CA -1.149 53.614 54.840 -0.128 0.000 0.815 435 L CB 1.712 43.686 42.059 -0.141 0.000 1.295 435 L HN 0.480 nan 8.230 nan 0.000 0.438 436 A N 0.486 123.266 122.820 -0.066 0.000 2.455 436 A HA 0.673 4.993 4.320 0.000 0.000 0.300 436 A C -1.711 175.942 177.584 0.116 0.000 1.040 436 A CA -0.522 51.479 52.037 -0.059 0.000 0.697 436 A CB 0.946 19.877 19.000 -0.115 0.000 1.265 436 A HN 0.519 nan 8.150 nan 0.000 0.407 437 W N 1.656 122.887 121.300 -0.115 0.000 2.141 437 W HA 0.461 5.121 4.660 0.000 0.000 0.354 437 W C -1.980 174.463 176.519 -0.127 0.000 1.297 437 W CA -1.793 55.494 57.345 -0.096 0.000 1.380 437 W CB -0.150 29.267 29.460 -0.072 0.000 1.168 437 W HN 0.482 nan 8.180 nan 0.000 0.639 438 P HA -0.118 nan 4.420 nan 0.000 0.223 438 P C 1.323 178.646 177.300 0.038 0.000 1.151 438 P CA 2.110 65.235 63.100 0.042 0.000 0.787 438 P CB 0.023 31.770 31.700 0.079 0.000 0.788 439 T N -3.913 110.701 114.554 0.102 0.000 3.113 439 T HA 0.293 4.643 4.350 0.000 0.000 0.256 439 T C 0.949 175.666 174.700 0.030 0.000 1.131 439 T CA -0.133 62.016 62.100 0.081 0.000 1.074 439 T CB -0.641 68.302 68.868 0.126 0.000 0.944 439 T HN 0.003 nan 8.240 nan 0.000 0.516 440 A N 1.463 124.275 122.820 -0.014 0.000 2.462 440 A HA 0.437 4.757 4.320 0.000 0.000 0.243 440 A C 0.126 177.621 177.584 -0.148 0.000 1.076 440 A CA -0.407 51.570 52.037 -0.100 0.000 0.773 440 A CB 0.147 19.062 19.000 -0.141 0.000 1.010 440 A HN 0.585 nan 8.150 nan 0.000 0.493 441 Q N 1.495 121.168 119.800 -0.212 0.000 2.464 441 Q HA 0.440 4.780 4.340 0.000 0.000 0.256 441 Q C -1.396 174.290 176.000 -0.522 0.000 1.020 441 Q CA 0.088 55.720 55.803 -0.284 0.000 0.716 441 Q CB 1.572 30.190 28.738 -0.199 0.000 1.230 441 Q HN 0.704 nan 8.270 nan 0.000 0.494 442 I N 2.053 122.375 120.570 -0.413 0.000 2.330 442 I HA 0.727 4.897 4.170 0.000 0.000 0.286 442 I C -0.183 175.707 176.117 -0.378 0.000 1.025 442 I CA -0.458 60.548 61.300 -0.489 0.000 1.197 442 I CB 1.032 38.766 38.000 -0.444 0.000 1.358 442 I HN 0.530 nan 8.210 nan 0.000 0.467 443 A N 4.540 127.146 122.820 -0.357 0.000 2.602 443 A HA 0.576 4.896 4.320 0.000 0.000 0.290 443 A C 0.627 178.290 177.584 0.133 0.000 1.114 443 A CA -0.470 51.551 52.037 -0.026 0.000 0.683 443 A CB 1.119 20.246 19.000 0.213 0.000 1.281 443 A HN 0.493 nan 8.150 nan 0.000 0.416 444 V N -1.518 118.510 119.914 0.191 0.000 2.407 444 V HA 0.103 4.223 4.120 0.000 0.000 0.248 444 V C 0.778 177.014 176.094 0.238 0.000 1.055 444 V CA 2.295 64.708 62.300 0.188 0.000 1.049 444 V CB -1.613 30.299 31.823 0.149 0.000 0.662 444 V HN 1.262 nan 8.190 nan 0.000 0.455 445 M N -1.518 118.254 119.600 0.287 0.000 3.472 445 M HA 0.706 5.186 4.480 0.000 0.000 0.293 445 M C -0.004 176.263 176.300 -0.056 0.000 1.316 445 M CA -0.310 55.060 55.300 0.116 0.000 0.857 445 M CB 1.056 33.653 32.600 -0.005 0.000 1.708 445 M HN 0.080 nan 8.290 nan 0.000 0.505 446 G N 0.006 108.554 108.800 -0.420 0.000 2.544 446 G HA2 0.459 4.419 3.960 0.000 0.000 0.242 446 G HA3 0.459 4.419 3.960 0.000 0.000 0.242 446 G C 0.768 175.518 174.900 -0.250 0.000 1.247 446 G CA -0.050 44.773 45.100 -0.463 0.000 0.840 446 G HN 1.016 nan 8.290 nan 0.000 0.578 447 A N 0.961 123.691 122.820 -0.150 0.000 1.883 447 A HA -0.192 4.128 4.320 0.000 0.000 0.217 447 A C 2.247 179.667 177.584 -0.274 0.000 1.186 447 A CA 2.233 54.120 52.037 -0.250 0.000 0.624 447 A CB -0.791 18.239 19.000 0.051 0.000 0.822 447 A HN 0.763 nan 8.150 nan 0.000 0.444 448 Q N -0.873 118.834 119.800 -0.155 0.000 2.045 448 Q HA -0.158 4.182 4.340 0.000 0.000 0.206 448 Q C 2.037 177.952 176.000 -0.141 0.000 0.991 448 Q CA 2.018 57.750 55.803 -0.117 0.000 0.851 448 Q CB -0.621 28.065 28.738 -0.086 0.000 0.911 448 Q HN 0.585 nan 8.270 nan 0.000 0.418 449 G N -0.507 108.196 108.800 -0.162 0.000 2.470 449 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 449 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 449 G C 1.266 176.062 174.900 -0.173 0.000 1.121 449 G CA 0.783 45.797 45.100 -0.142 0.000 0.766 449 G HN 0.495 nan 8.290 nan 0.000 0.553 450 A N 0.684 123.331 122.820 -0.288 0.000 1.861 450 A HA 0.150 4.470 4.320 0.000 0.000 0.212 450 A C 2.668 180.072 177.584 -0.300 0.000 1.199 450 A CA 1.887 53.697 52.037 -0.378 0.000 0.613 450 A CB -0.849 17.637 19.000 -0.857 0.000 0.846 450 A HN 0.763 nan 8.150 nan 0.000 0.446 451 V N -0.734 119.019 119.914 -0.268 0.000 2.469 451 V HA -0.323 3.797 4.120 0.000 0.000 0.251 451 V C 1.715 177.811 176.094 0.004 0.000 1.064 451 V CA 2.427 64.714 62.300 -0.022 0.000 1.066 451 V CB -1.571 30.303 31.823 0.086 0.000 0.667 451 V HN 0.580 nan 8.190 nan 0.000 0.461 452 N N 0.193 118.865 118.700 -0.047 0.000 2.166 452 N HA -0.110 4.630 4.740 0.000 0.000 0.186 452 N C 1.722 177.211 175.510 -0.035 0.000 1.019 452 N CA 1.640 54.674 53.050 -0.025 0.000 0.856 452 N CB -0.115 38.348 38.487 -0.041 0.000 0.993 452 N HN 0.435 nan 8.380 nan 0.000 0.426 453 I N 1.243 121.770 120.570 -0.073 0.000 2.260 453 I HA -0.123 4.047 4.170 0.000 0.000 0.237 453 I C 2.203 178.256 176.117 -0.107 0.000 1.075 453 I CA 0.899 62.156 61.300 -0.073 0.000 1.376 453 I CB -1.287 36.669 38.000 -0.074 0.000 1.107 453 I HN 0.121 nan 8.210 nan 0.000 0.420 454 L N 0.458 121.562 121.223 -0.198 0.000 2.197 454 L HA -0.227 4.113 4.340 0.000 0.000 0.215 454 L C 1.213 177.782 176.870 -0.502 0.000 1.095 454 L CA 1.322 55.943 54.840 -0.365 0.000 0.764 454 L CB -0.630 41.131 42.059 -0.498 0.000 0.897 454 L HN 0.425 nan 8.230 nan 0.000 0.436 455 H N -1.919 117.154 119.070 0.006 0.000 2.637 455 H HA 0.183 4.739 4.556 0.000 0.000 0.245 455 H C 1.366 176.694 175.328 0.000 0.000 1.190 455 H CA -0.185 55.868 56.048 0.008 0.000 0.934 455 H CB 0.299 30.069 29.762 0.012 0.000 1.950 455 H HN 0.226 nan 8.280 nan 0.000 0.614 456 R N 1.077 121.610 120.500 0.054 0.000 2.081 456 R HA -0.088 4.252 4.340 0.000 0.000 0.235 456 R C 1.261 177.583 176.300 0.037 0.000 1.131 456 R CA 1.237 57.357 56.100 0.034 0.000 0.960 456 R CB 0.347 30.650 30.300 0.006 0.000 0.856 456 R HN -0.001 nan 8.270 nan 0.000 0.436 457 R N -0.344 120.179 120.500 0.038 0.000 2.276 457 R HA -0.003 4.337 4.340 0.000 0.000 0.203 457 R C 1.237 177.562 176.300 0.042 0.000 1.017 457 R CA 1.314 57.433 56.100 0.033 0.000 1.010 457 R CB 0.073 30.389 30.300 0.026 0.000 0.900 457 R HN 0.357 nan 8.270 nan 0.000 0.469 458 T N -3.232 111.361 114.554 0.065 0.000 3.243 458 T HA 0.303 4.653 4.350 0.000 0.000 0.264 458 T C 1.105 175.829 174.700 0.040 0.000 1.000 458 T CA -0.300 61.835 62.100 0.058 0.000 0.901 458 T CB -0.088 68.831 68.868 0.085 0.000 1.083 458 T HN 0.193 nan 8.240 nan 0.000 0.559 459 I N -0.623 119.969 120.570 0.036 0.000 4.530 459 I HA 0.414 4.584 4.170 0.000 0.000 0.318 459 I C 2.252 178.378 176.117 0.014 0.000 1.257 459 I CA 0.123 61.436 61.300 0.020 0.000 1.301 459 I CB 0.016 38.029 38.000 0.022 0.000 1.297 459 I HN 0.236 nan 8.210 nan 0.000 0.451 460 A N 0.328 123.158 122.820 0.017 0.000 2.076 460 A HA -0.131 4.189 4.320 0.000 0.000 0.220 460 A C 0.537 178.126 177.584 0.009 0.000 1.160 460 A CA 1.053 53.097 52.037 0.012 0.000 0.653 460 A CB -0.593 18.415 19.000 0.012 0.000 0.801 460 A HN 0.445 nan 8.150 nan 0.000 0.455 461 D N 0.279 120.686 120.400 0.011 0.000 2.336 461 D HA 0.422 5.062 4.640 0.000 0.000 0.249 461 D C 0.473 176.776 176.300 0.005 0.000 1.213 461 D CA 1.130 55.135 54.000 0.008 0.000 0.870 461 D CB 0.750 41.555 40.800 0.010 0.000 1.076 461 D HN 0.596 nan 8.370 nan 0.000 0.483 462 A N 2.798 125.620 122.820 0.004 0.000 2.360 462 A HA -0.133 4.187 4.320 0.000 0.000 0.289 462 A C 1.637 179.222 177.584 0.002 0.000 1.437 462 A CA 0.603 52.641 52.037 0.002 0.000 0.734 462 A CB -1.721 17.280 19.000 0.001 0.000 1.145 462 A HN 0.709 nan 8.150 nan 0.000 0.374 463 G N 0.165 108.967 108.800 0.002 0.000 2.535 463 G HA2 0.090 4.050 3.960 0.000 0.000 0.218 463 G HA3 0.090 4.050 3.960 0.000 0.000 0.218 463 G C 0.457 175.357 174.900 -0.000 0.000 1.122 463 G CA 0.950 46.051 45.100 0.001 0.000 0.769 463 G HN 1.028 nan 8.290 nan 0.000 0.549 464 D N 1.016 121.416 120.400 -0.000 0.000 2.450 464 D HA 0.126 4.766 4.640 0.000 0.000 0.247 464 D C 0.116 176.415 176.300 -0.002 0.000 1.162 464 D CA -0.038 53.961 54.000 -0.001 0.000 0.879 464 D CB 0.154 40.954 40.800 -0.001 0.000 1.163 464 D HN 0.121 nan 8.370 nan 0.000 0.472 465 D N 2.651 123.050 120.400 -0.002 0.000 2.746 465 D HA -0.190 4.450 4.640 0.000 0.000 0.241 465 D C -0.097 176.200 176.300 -0.004 0.000 1.140 465 D CA 0.909 54.907 54.000 -0.003 0.000 0.707 465 D CB -1.064 39.734 40.800 -0.003 0.000 1.034 465 D HN 0.469 nan 8.370 nan 0.000 0.423 466 A N -0.291 122.526 122.820 -0.004 0.000 2.425 466 A HA 0.155 4.475 4.320 0.000 0.000 0.201 466 A C 1.704 179.285 177.584 -0.005 0.000 1.431 466 A CA 0.568 52.602 52.037 -0.005 0.000 1.066 466 A CB 0.437 19.435 19.000 -0.003 0.000 1.318 466 A HN 0.108 nan 8.150 nan 0.000 0.534 467 E N 1.110 121.308 120.200 -0.004 0.000 2.106 467 E HA -0.028 4.322 4.350 0.000 0.000 0.192 467 E C 1.880 178.477 176.600 -0.004 0.000 0.984 467 E CA 1.702 58.100 56.400 -0.003 0.000 0.806 467 E CB -0.244 29.454 29.700 -0.003 0.000 0.750 467 E HN 0.520 nan 8.360 nan 0.000 0.458 468 A N -0.224 122.593 122.820 -0.004 0.000 1.968 468 A HA -0.126 4.194 4.320 0.000 0.000 0.217 468 A C 2.396 179.977 177.584 -0.006 0.000 1.169 468 A CA 1.989 54.023 52.037 -0.004 0.000 0.638 468 A CB -1.129 17.869 19.000 -0.003 0.000 0.812 468 A HN 0.460 nan 8.150 nan 0.000 0.446 469 T N -2.476 112.072 114.554 -0.010 0.000 3.035 469 T HA -0.100 4.250 4.350 0.000 0.000 0.268 469 T C 1.859 176.547 174.700 -0.020 0.000 1.109 469 T CA 1.101 63.192 62.100 -0.016 0.000 1.119 469 T CB -0.342 68.512 68.868 -0.022 0.000 0.900 469 T HN 0.509 nan 8.240 nan 0.000 0.503 470 R N 1.126 121.619 120.500 -0.012 0.000 2.081 470 R HA 0.017 4.357 4.340 0.000 0.000 0.235 470 R C 2.702 179.001 176.300 -0.000 0.000 1.131 470 R CA 1.357 57.452 56.100 -0.007 0.000 0.960 470 R CB -0.844 29.456 30.300 -0.000 0.000 0.856 470 R HN 0.484 nan 8.270 nan 0.000 0.436 471 A N 1.349 124.170 122.820 0.001 0.000 1.917 471 A HA -0.248 4.072 4.320 0.000 0.000 0.219 471 A C 2.214 179.806 177.584 0.013 0.000 1.182 471 A CA 1.755 53.797 52.037 0.008 0.000 0.633 471 A CB -0.650 18.354 19.000 0.006 0.000 0.819 471 A HN 0.450 nan 8.150 nan 0.000 0.448 472 R N -0.543 119.959 120.500 0.004 0.000 2.075 472 R HA 0.012 4.352 4.340 0.000 0.000 0.232 472 R C 1.971 178.276 176.300 0.009 0.000 1.126 472 R CA 1.346 57.449 56.100 0.004 0.000 0.963 472 R CB -0.340 29.955 30.300 -0.009 0.000 0.858 472 R HN 0.518 nan 8.270 nan 0.000 0.435 473 L N 0.460 121.678 121.223 -0.009 0.000 2.141 473 L HA -0.129 4.211 4.340 0.000 0.000 0.209 473 L C 2.334 179.259 176.870 0.091 0.000 1.094 473 L CA 0.953 55.790 54.840 -0.006 0.000 0.763 473 L CB -0.203 41.788 42.059 -0.113 0.000 0.908 473 L HN 0.278 nan 8.230 nan 0.000 0.437 474 I N -0.617 119.997 120.570 0.074 0.000 2.252 474 I HA -0.276 3.894 4.170 0.000 0.000 0.245 474 I C 2.741 178.933 176.117 0.126 0.000 1.102 474 I CA 1.039 62.397 61.300 0.095 0.000 1.385 474 I CB -0.384 37.643 38.000 0.045 0.000 1.064 474 I HN 0.394 nan 8.210 nan 0.000 0.414 475 Q N 1.621 121.472 119.800 0.084 0.000 2.124 475 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 475 Q C 1.818 177.872 176.000 0.091 0.000 0.977 475 Q CA 1.811 57.660 55.803 0.078 0.000 0.850 475 Q CB -0.088 28.679 28.738 0.048 0.000 0.901 475 Q HN 0.571 nan 8.270 nan 0.000 0.429 476 E N -0.805 119.450 120.200 0.092 0.000 2.106 476 E HA -0.187 4.163 4.350 0.000 0.000 0.192 476 E C 1.823 178.489 176.600 0.109 0.000 0.984 476 E CA 1.053 57.502 56.400 0.082 0.000 0.806 476 E CB -0.220 29.521 29.700 0.068 0.000 0.750 476 E HN 0.386 nan 8.360 nan 0.000 0.458 477 Y N 1.924 122.262 120.300 0.063 0.000 2.242 477 Y HA -0.166 4.384 4.550 0.000 0.000 0.291 477 Y C 1.902 177.844 175.900 0.070 0.000 1.137 477 Y CA 1.535 59.680 58.100 0.075 0.000 1.181 477 Y CB 0.194 38.706 38.460 0.088 0.000 0.989 477 Y HN -0.004 nan 8.280 nan 0.000 0.527 478 E N -0.364 119.990 120.200 0.257 0.000 2.047 478 E HA -0.199 4.151 4.350 0.000 0.000 0.191 478 E C 1.588 178.243 176.600 0.092 0.000 0.987 478 E CA 1.334 57.847 56.400 0.189 0.000 0.799 478 E CB -0.143 29.654 29.700 0.162 0.000 0.752 478 E HN 0.508 nan 8.360 nan 0.000 0.449 479 D N 0.252 120.692 120.400 0.066 0.000 2.269 479 D HA -0.066 4.574 4.640 0.000 0.000 0.208 479 D C 1.607 177.914 176.300 0.011 0.000 0.963 479 D CA 0.923 54.948 54.000 0.041 0.000 0.864 479 D CB 0.035 40.855 40.800 0.034 0.000 0.936 479 D HN 0.152 nan 8.370 nan 0.000 0.505 480 A N -0.208 122.595 122.820 -0.029 0.000 1.956 480 A HA 0.147 4.467 4.320 0.000 0.000 0.212 480 A C 2.054 179.566 177.584 -0.120 0.000 1.188 480 A CA 0.427 52.419 52.037 -0.075 0.000 0.675 480 A CB -0.015 18.921 19.000 -0.106 0.000 0.845 480 A HN 0.173 nan 8.150 nan 0.000 0.455 481 L N -1.472 119.632 121.223 -0.199 0.000 2.749 481 L HA 0.275 4.615 4.340 0.000 0.000 0.242 481 L C -0.157 176.668 176.870 -0.075 0.000 1.103 481 L CA -0.130 54.582 54.840 -0.212 0.000 0.906 481 L CB 0.356 42.110 42.059 -0.509 0.000 1.228 481 L HN 0.108 nan 8.230 nan 0.000 0.517 482 L N 3.199 124.431 121.223 0.014 0.000 2.437 482 L HA 0.210 4.550 4.340 0.000 0.000 0.243 482 L C 0.115 176.986 176.870 0.002 0.000 1.346 482 L CA 0.391 55.269 54.840 0.063 0.000 1.233 482 L CB -1.244 40.922 42.059 0.179 0.000 1.436 482 L HN 0.358 nan 8.230 nan 0.000 0.416 483 N N -0.209 118.455 118.700 -0.061 0.000 3.106 483 N HA 0.440 5.180 4.740 0.000 0.000 0.253 483 N C -2.899 172.479 175.510 -0.221 0.000 1.506 483 N CA -1.144 51.846 53.050 -0.101 0.000 0.876 483 N CB 1.918 40.425 38.487 0.034 0.000 1.452 483 N HN -0.226 nan 8.380 nan 0.000 0.542 484 P HA 0.178 nan 4.420 nan 0.000 0.268 484 P C 0.197 177.243 177.300 -0.424 0.000 1.329 484 P CA 0.220 63.071 63.100 -0.415 0.000 0.899 484 P CB -0.154 31.291 31.700 -0.425 0.000 1.378 485 Y N 0.245 120.505 120.300 -0.068 0.000 2.395 485 Y HA -0.041 4.509 4.550 0.000 0.000 0.293 485 Y C 2.554 178.400 175.900 -0.091 0.000 1.123 485 Y CA 1.366 59.425 58.100 -0.068 0.000 1.227 485 Y CB -1.443 36.983 38.460 -0.056 0.000 1.012 485 Y HN -0.050 nan 8.280 nan 0.000 0.552 486 T N -0.345 114.207 114.554 -0.004 0.000 2.857 486 T HA -0.090 4.260 4.350 0.000 0.000 0.266 486 T C 2.267 176.878 174.700 -0.149 0.000 1.048 486 T CA 1.115 63.173 62.100 -0.070 0.000 1.139 486 T CB -0.446 68.371 68.868 -0.085 0.000 0.874 486 T HN 0.401 nan 8.240 nan 0.000 0.455 487 A N 1.504 124.238 122.820 -0.143 0.000 1.902 487 A HA 0.156 4.476 4.320 0.000 0.000 0.217 487 A C 2.597 180.099 177.584 -0.137 0.000 1.181 487 A CA 1.770 53.721 52.037 -0.144 0.000 0.623 487 A CB -1.001 17.969 19.000 -0.051 0.000 0.818 487 A HN 0.492 nan 8.150 nan 0.000 0.443 488 A N -0.122 122.648 122.820 -0.083 0.000 1.969 488 A HA -0.137 4.183 4.320 0.000 0.000 0.218 488 A C 1.859 179.418 177.584 -0.042 0.000 1.169 488 A CA 1.511 53.527 52.037 -0.034 0.000 0.635 488 A CB -0.486 18.527 19.000 0.021 0.000 0.810 488 A HN 0.649 nan 8.150 nan 0.000 0.445 489 E N -0.413 119.750 120.200 -0.061 0.000 2.110 489 E HA -0.165 4.185 4.350 0.000 0.000 0.193 489 E C 1.907 178.436 176.600 -0.118 0.000 0.988 489 E CA 1.050 57.410 56.400 -0.068 0.000 0.804 489 E CB -0.139 29.520 29.700 -0.068 0.000 0.745 489 E HN 0.527 nan 8.360 nan 0.000 0.458 490 R N -0.572 119.784 120.500 -0.239 0.000 2.317 490 R HA 0.081 4.421 4.340 0.000 0.000 0.208 490 R C 0.998 177.190 176.300 -0.180 0.000 0.914 490 R CA 0.467 56.369 56.100 -0.329 0.000 1.060 490 R CB 0.581 30.399 30.300 -0.803 0.000 1.015 490 R HN 0.246 nan 8.270 nan 0.000 0.498 491 G N 0.406 109.158 108.800 -0.080 0.000 2.148 491 G HA2 -0.326 3.634 3.960 0.000 0.000 0.254 491 G HA3 -0.326 3.634 3.960 0.000 0.000 0.254 491 G C 0.548 175.558 174.900 0.184 0.000 0.981 491 G CA 0.241 45.369 45.100 0.046 0.000 0.670 491 G HN 0.505 nan 8.290 nan 0.000 0.528 492 Y N -0.330 119.988 120.300 0.029 0.000 2.293 492 Y HA 0.082 4.632 4.550 0.000 0.000 0.291 492 Y C 1.830 177.706 175.900 -0.040 0.000 1.137 492 Y CA 1.024 59.141 58.100 0.028 0.000 1.202 492 Y CB 0.217 38.766 38.460 0.148 0.000 0.990 492 Y HN 0.465 nan 8.280 nan 0.000 0.537 493 V N -2.998 116.991 119.914 0.125 0.000 2.555 493 V HA 0.247 4.367 4.120 0.000 0.000 0.302 493 V C -0.022 176.076 176.094 0.007 0.000 1.038 493 V CA -1.014 61.300 62.300 0.025 0.000 0.887 493 V CB 1.983 33.798 31.823 -0.013 0.000 0.991 493 V HN 0.043 nan 8.190 nan 0.000 0.434 494 D N 2.637 123.028 120.400 -0.016 0.000 2.224 494 D HA 0.278 4.918 4.640 0.000 0.000 0.205 494 D C 0.726 177.018 176.300 -0.012 0.000 0.965 494 D CA 1.901 55.896 54.000 -0.008 0.000 0.852 494 D CB 0.923 41.717 40.800 -0.011 0.000 0.947 494 D HN 0.988 nan 8.370 nan 0.000 0.494 495 A N -0.133 122.661 122.820 -0.043 0.000 2.594 495 A HA 0.445 4.765 4.320 0.000 0.000 0.296 495 A C -1.344 176.202 177.584 -0.064 0.000 1.056 495 A CA -0.631 51.379 52.037 -0.045 0.000 0.693 495 A CB 1.403 20.362 19.000 -0.068 0.000 1.278 495 A HN -0.114 nan 8.150 nan 0.000 0.408 496 V N 2.902 122.805 119.914 -0.020 0.000 2.370 496 V HA 0.567 4.687 4.120 0.000 0.000 0.279 496 V C 0.117 176.218 176.094 0.012 0.000 1.029 496 V CA -0.100 62.191 62.300 -0.016 0.000 0.870 496 V CB 0.676 32.503 31.823 0.007 0.000 0.984 496 V HN 0.852 nan 8.190 nan 0.000 0.451 497 I N 1.729 122.306 120.570 0.011 0.000 2.910 497 I HA 0.672 4.842 4.170 0.000 0.000 0.310 497 I C -0.232 175.873 176.117 -0.019 0.000 1.043 497 I CA -1.065 60.239 61.300 0.007 0.000 1.053 497 I CB 1.907 39.866 38.000 -0.069 0.000 1.242 497 I HN 0.298 nan 8.210 nan 0.000 0.452 498 M N 3.215 122.787 119.600 -0.047 0.000 2.228 498 M HA 0.260 4.740 4.480 0.000 0.000 0.351 498 M C -1.718 174.366 176.300 -0.361 0.000 1.233 498 M CA -2.005 53.198 55.300 -0.162 0.000 1.129 498 M CB 0.361 32.902 32.600 -0.099 0.000 1.604 498 M HN 0.441 nan 8.290 nan 0.000 0.457 499 P HA -0.163 nan 4.420 nan 0.000 0.216 499 P C 1.281 178.220 177.300 -0.601 0.000 1.154 499 P CA 1.793 64.048 63.100 -1.409 0.000 0.865 499 P CB 0.031 30.735 31.700 -1.661 0.000 0.789 500 S N -1.642 113.848 115.700 -0.350 0.000 2.500 500 S HA -0.160 4.310 4.470 0.000 0.000 0.239 500 S C 1.618 176.198 174.600 -0.034 0.000 0.989 500 S CA 1.412 59.527 58.200 -0.142 0.000 0.951 500 S CB -1.032 62.105 63.200 -0.104 0.000 0.759 500 S HN 0.075 nan 8.310 nan 0.000 0.523 501 D N 0.900 121.290 120.400 -0.017 0.000 2.339 501 D HA 0.160 4.800 4.640 0.000 0.000 0.217 501 D C 1.472 177.907 176.300 0.225 0.000 1.050 501 D CA 0.435 54.496 54.000 0.102 0.000 0.856 501 D CB -0.234 40.654 40.800 0.146 0.000 0.922 501 D HN 0.347 nan 8.370 nan 0.000 0.518 502 T N -0.532 114.148 114.554 0.210 0.000 2.708 502 T HA -0.184 4.166 4.350 0.000 0.000 0.266 502 T C 1.914 176.780 174.700 0.277 0.000 1.037 502 T CA 1.091 63.386 62.100 0.326 0.000 1.146 502 T CB -0.071 69.082 68.868 0.475 0.000 0.865 502 T HN 0.182 nan 8.240 nan 0.000 0.435 503 R N 0.835 121.468 120.500 0.220 0.000 2.091 503 R HA -0.071 4.269 4.340 0.000 0.000 0.238 503 R C 2.621 179.001 176.300 0.133 0.000 1.136 503 R CA 1.448 57.657 56.100 0.180 0.000 0.959 503 R CB -0.161 30.228 30.300 0.148 0.000 0.856 503 R HN 0.270 nan 8.270 nan 0.000 0.437 504 R N -0.628 119.928 120.500 0.094 0.000 2.083 504 R HA -0.181 4.159 4.340 0.000 0.000 0.237 504 R C 2.158 178.448 176.300 -0.016 0.000 1.137 504 R CA 1.868 57.974 56.100 0.010 0.000 0.951 504 R CB -0.361 29.904 30.300 -0.059 0.000 0.851 504 R HN 0.447 nan 8.270 nan 0.000 0.434 505 H N 0.143 119.255 119.070 0.070 0.000 2.387 505 H HA -0.099 4.457 4.556 0.000 0.000 0.299 505 H C 2.222 177.584 175.328 0.057 0.000 1.090 505 H CA 1.836 57.920 56.048 0.061 0.000 1.332 505 H CB -0.024 29.779 29.762 0.068 0.000 1.386 505 H HN 0.287 nan 8.280 nan 0.000 0.516 506 I N -0.124 120.560 120.570 0.189 0.000 2.202 506 I HA -0.216 3.954 4.170 0.000 0.000 0.242 506 I C 2.533 178.713 176.117 0.105 0.000 1.091 506 I CA 0.577 61.958 61.300 0.134 0.000 1.368 506 I CB -0.155 37.937 38.000 0.154 0.000 1.058 506 I HN -0.009 nan 8.210 nan 0.000 0.410 507 V N 0.992 120.964 119.914 0.096 0.000 2.237 507 V HA -0.291 3.829 4.120 0.000 0.000 0.245 507 V C 2.547 178.673 176.094 0.052 0.000 1.046 507 V CA 1.950 64.294 62.300 0.073 0.000 1.007 507 V CB -0.762 31.098 31.823 0.062 0.000 0.638 507 V HN 0.369 nan 8.190 nan 0.000 0.445 508 R N 0.024 120.543 120.500 0.031 0.000 2.120 508 R HA -0.092 4.248 4.340 0.000 0.000 0.234 508 R C 2.432 178.754 176.300 0.036 0.000 1.123 508 R CA 1.317 57.427 56.100 0.017 0.000 0.975 508 R CB -0.777 29.509 30.300 -0.023 0.000 0.866 508 R HN 0.616 nan 8.270 nan 0.000 0.446 509 G N 1.219 110.054 108.800 0.058 0.000 2.433 509 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 509 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 509 G C 1.422 176.352 174.900 0.050 0.000 1.186 509 G CA 0.368 45.505 45.100 0.061 0.000 0.779 509 G HN 0.129 nan 8.290 nan 0.000 0.543 510 L N -0.155 121.102 121.223 0.057 0.000 2.131 510 L HA -0.034 4.306 4.340 0.000 0.000 0.210 510 L C 3.166 180.064 176.870 0.047 0.000 1.092 510 L CA 0.724 55.597 54.840 0.056 0.000 0.759 510 L CB -0.282 41.820 42.059 0.072 0.000 0.903 510 L HN 0.175 nan 8.230 nan 0.000 0.435 511 R N -0.500 120.025 120.500 0.042 0.000 2.081 511 R HA -0.162 4.178 4.340 0.000 0.000 0.235 511 R C 2.320 178.637 176.300 0.028 0.000 1.131 511 R CA 1.216 57.337 56.100 0.034 0.000 0.960 511 R CB -0.192 30.125 30.300 0.029 0.000 0.856 511 R HN 0.468 nan 8.270 nan 0.000 0.436 512 Q N 0.312 120.129 119.800 0.028 0.000 2.123 512 Q HA -0.013 4.327 4.340 0.000 0.000 0.196 512 Q C 2.206 178.220 176.000 0.023 0.000 0.958 512 Q CA 0.901 56.718 55.803 0.023 0.000 0.841 512 Q CB 0.100 28.852 28.738 0.024 0.000 0.915 512 Q HN 0.374 nan 8.270 nan 0.000 0.455 513 L N 0.570 121.810 121.223 0.027 0.000 2.465 513 L HA -0.028 4.312 4.340 0.000 0.000 0.224 513 L C 2.509 179.395 176.870 0.027 0.000 1.145 513 L CA 0.282 55.138 54.840 0.025 0.000 0.834 513 L CB -0.284 41.791 42.059 0.028 0.000 0.944 513 L HN 0.149 nan 8.230 nan 0.000 0.451 514 R N 0.491 121.009 120.500 0.030 0.000 2.139 514 R HA -0.179 4.161 4.340 0.000 0.000 0.243 514 R C 1.785 178.099 176.300 0.022 0.000 1.145 514 R CA 1.892 58.010 56.100 0.030 0.000 0.976 514 R CB -0.137 30.181 30.300 0.029 0.000 0.866 514 R HN 0.427 nan 8.270 nan 0.000 0.449 515 T N -2.026 112.539 114.554 0.018 0.000 3.188 515 T HA 0.113 4.463 4.350 0.000 0.000 0.250 515 T C 0.460 175.167 174.700 0.011 0.000 1.077 515 T CA -0.415 61.693 62.100 0.013 0.000 0.967 515 T CB 0.034 68.909 68.868 0.010 0.000 1.006 515 T HN 0.101 nan 8.240 nan 0.000 0.552 516 K N 1.989 122.397 120.400 0.014 0.000 2.511 516 K HA 0.052 4.372 4.320 0.000 0.000 0.280 516 K C -0.461 176.144 176.600 0.007 0.000 1.008 516 K CA 0.148 56.441 56.287 0.011 0.000 1.050 516 K CB 0.354 32.861 32.500 0.013 0.000 0.889 516 K HN 0.331 nan 8.250 nan 0.000 0.484 517 R N 3.594 124.096 120.500 0.004 0.000 2.502 517 R HA 0.240 4.580 4.340 0.000 0.000 0.300 517 R C -1.138 175.161 176.300 -0.003 0.000 0.984 517 R CA -0.657 55.444 56.100 0.001 0.000 0.882 517 R CB 1.869 32.169 30.300 -0.000 0.000 1.180 517 R HN 0.728 nan 8.270 nan 0.000 0.444 518 E N 1.608 121.805 120.200 -0.005 0.000 2.392 518 E HA 0.441 4.791 4.350 0.000 0.000 0.279 518 E C -1.639 174.954 176.600 -0.013 0.000 0.964 518 E CA -0.593 55.801 56.400 -0.009 0.000 0.777 518 E CB 2.063 31.757 29.700 -0.010 0.000 1.249 518 E HN 0.617 nan 8.360 nan 0.000 0.449 519 S N 2.302 117.992 115.700 -0.016 0.000 2.607 519 S HA 0.631 5.101 4.470 0.000 0.000 0.273 519 S C -0.828 173.758 174.600 -0.024 0.000 1.148 519 S CA -0.924 57.264 58.200 -0.019 0.000 0.833 519 S CB 0.894 64.084 63.200 -0.016 0.000 1.130 519 S HN 0.442 nan 8.310 nan 0.000 0.470 520 L N 0.614 121.820 121.223 -0.027 0.000 2.400 520 L HA 0.604 4.944 4.340 0.000 0.000 0.264 520 L C -2.242 174.612 176.870 -0.026 0.000 1.061 520 L CA -2.500 52.319 54.840 -0.034 0.000 0.799 520 L CB 0.306 42.340 42.059 -0.042 0.000 1.240 520 L HN 0.477 nan 8.230 nan 0.000 0.461 521 P HA 0.094 nan 4.420 nan 0.000 0.267 521 P C -2.438 174.851 177.300 -0.018 0.000 1.200 521 P CA -0.687 62.400 63.100 -0.021 0.000 0.772 521 P CB -0.280 31.407 31.700 -0.022 0.000 0.855 522 P HA 0.080 nan 4.420 nan 0.000 0.265 522 P C -0.748 176.538 177.300 -0.023 0.000 1.193 522 P CA 0.310 63.399 63.100 -0.018 0.000 0.765 522 P CB 0.525 32.214 31.700 -0.018 0.000 0.823 523 K N 0.549 120.933 120.400 -0.026 0.000 2.625 523 K HA 0.283 4.603 4.320 0.000 0.000 0.284 523 K C 0.107 176.675 176.600 -0.053 0.000 0.984 523 K CA -1.056 55.204 56.287 -0.045 0.000 0.865 523 K CB 1.067 33.545 32.500 -0.036 0.000 1.468 523 K HN -0.062 nan 8.250 nan 0.000 0.407 524 K N 0.012 120.341 120.400 -0.118 0.000 2.057 524 K HA -0.093 4.227 4.320 0.000 0.000 0.206 524 K C 0.002 176.590 176.600 -0.021 0.000 1.050 524 K CA 2.075 58.296 56.287 -0.110 0.000 0.935 524 K CB -0.332 32.041 32.500 -0.211 0.000 0.715 524 K HN 0.812 nan 8.250 nan 0.000 0.439 525 H N -4.394 114.685 119.070 0.015 0.000 2.921 525 H HA 0.382 4.938 4.556 0.000 0.000 0.287 525 H C -0.352 175.010 175.328 0.056 0.000 1.434 525 H CA -0.775 55.290 56.048 0.028 0.000 1.178 525 H CB 0.232 30.003 29.762 0.015 0.000 1.836 525 H HN 0.035 nan 8.280 nan 0.000 0.495 526 G N -0.962 108.033 108.800 0.324 0.000 2.543 526 G HA2 0.259 4.219 3.960 0.000 0.000 0.290 526 G HA3 0.259 4.219 3.960 0.000 0.000 0.290 526 G C -0.521 174.559 174.900 0.300 0.000 1.310 526 G CA -0.621 44.678 45.100 0.332 0.000 1.025 526 G HN 0.891 nan 8.290 nan 0.000 0.502 527 N N -0.513 118.305 118.700 0.195 0.000 2.644 527 N HA 0.147 4.887 4.740 0.000 0.000 0.313 527 N C 0.115 175.522 175.510 -0.172 0.000 1.863 527 N CA -0.462 52.617 53.050 0.048 0.000 0.918 527 N CB 0.320 38.856 38.487 0.081 0.000 1.320 527 N HN 0.428 nan 8.380 nan 0.000 0.490 528 I N 1.521 121.754 120.570 -0.560 0.000 2.880 528 I HA 0.021 4.191 4.170 0.000 0.000 0.296 528 I C -1.978 173.880 176.117 -0.432 0.000 1.220 528 I CA -1.002 59.686 61.300 -1.020 0.000 1.435 528 I CB 0.751 38.021 38.000 -1.216 0.000 1.339 528 I HN 0.205 nan 8.210 nan 0.000 0.583 529 P HA 0.103 nan 4.420 nan 0.000 0.265 529 P C -0.928 176.286 177.300 -0.142 0.000 1.193 529 P CA -0.058 62.953 63.100 -0.149 0.000 0.765 529 P CB 0.619 32.267 31.700 -0.086 0.000 0.823 530 L N 0.000 121.163 121.223 -0.100 0.000 2.949 530 L HA 0.000 4.340 4.340 0.000 0.000 0.249 530 L CA 0.000 54.789 54.840 -0.084 0.000 0.813 530 L CB 0.000 42.006 42.059 -0.089 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502