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 3al8_1_B DATA FIRST_RESID 36 DATA SEQUENCE PQYSTFHSEN RDWTFNHLTV HRRTGAVYVG AINRVYKLTG NLTIQVAHKT DATA SEQUENCE GPEEDNKAcY PPLIVQPcSE VLTLTNNVNK LLIIDYSENR LLAcGSLYQG DATA SEQUENCE VcKLLRLDDL FILVEPSHKK EHYLSSVNKT GTMYGVIVRS EGEDGKLFIG DATA SEQUENCE TAVDGKQDYF PTLSSRKLPR DPESSAMLDY ELHSDFVSSL IKIPSDTLAL DATA SEQUENCE VSHFDIFYIY GFASGGFVYF LTVQPETPXX XXXXXXXDLF YTSRIVRLcK DATA SEQUENCE DDPKFHSYVS LPFGcTRAGV EYRLLQAAYL AKPGEALAQA FNISSDEDVL DATA SEQUENCE FAIFSKGQKQ YHHPPDDSAL cAFPIRAINL QIKERLQScY HGEGNLELNW DATA SEQUENCE LLGKDVQcTK APVPIDDNFc GLDINQPLGG STPVEGLTLY TTSRDRLTSV DATA SEQUENCE ASYVYNGYSV VFVGTKSGKL KKIRADGPPH GGVQYEMVSV FKDGSPILRD DATA SEQUENCE MAFSINQLYL YVMSERQVTR VPVEScEQYT TCGEcLSSGD PHcGWcALHN DATA SEQUENCE McSRRDKc 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 36 P HA 0.000 nan 4.420 nan 0.000 0.216 36 P C 0.000 176.964 177.300 -0.559 0.000 1.155 36 P CA 0.000 62.824 63.100 -0.461 0.000 0.800 36 P CB 0.000 31.303 31.700 -0.662 0.000 0.726 37 Q N 1.078 120.668 119.800 -0.350 0.000 2.844 37 Q HA 0.293 4.633 4.340 -0.000 0.000 0.235 37 Q C -0.657 175.279 176.000 -0.107 0.000 1.336 37 Q CA 0.106 55.796 55.803 -0.188 0.000 1.026 37 Q CB -0.331 28.357 28.738 -0.083 0.000 1.513 37 Q HN 0.231 nan 8.270 nan 0.000 0.577 38 Y N -0.255 120.048 120.300 0.004 0.000 2.336 38 Y HA 0.169 4.719 4.550 -0.000 0.000 0.331 38 Y C 0.968 176.865 175.900 -0.006 0.000 1.211 38 Y CA -0.980 57.118 58.100 -0.003 0.000 1.346 38 Y CB 0.767 39.216 38.460 -0.018 0.000 1.271 38 Y HN 0.230 nan 8.280 nan 0.000 0.538 39 S N 1.583 117.368 115.700 0.141 0.000 2.549 39 S HA 0.445 4.915 4.470 -0.000 0.000 0.279 39 S C -0.115 174.533 174.600 0.080 0.000 1.321 39 S CA -0.429 57.809 58.200 0.062 0.000 1.054 39 S CB 0.294 63.477 63.200 -0.028 0.000 0.899 39 S HN 0.622 nan 8.310 nan 0.000 0.497 40 T N 2.624 117.239 114.554 0.101 0.000 2.903 40 T HA 0.596 4.946 4.350 -0.000 0.000 0.299 40 T C -1.405 173.398 174.700 0.172 0.000 1.093 40 T CA -0.490 61.671 62.100 0.101 0.000 1.002 40 T CB 1.174 70.092 68.868 0.082 0.000 1.127 40 T HN 0.464 nan 8.240 nan 0.000 0.488 41 F N 2.794 122.701 119.950 -0.072 0.000 2.745 41 F HA 0.383 4.910 4.527 -0.000 0.000 0.343 41 F C -0.267 175.499 175.800 -0.058 0.000 1.196 41 F CA -0.594 57.375 58.000 -0.053 0.000 1.021 41 F CB 0.823 39.747 39.000 -0.127 0.000 1.297 41 F HN 0.613 nan 8.300 nan 0.000 0.486 42 H N 2.207 121.040 119.070 -0.395 0.000 2.547 42 H HA 0.301 4.857 4.556 -0.000 0.000 0.362 42 H C 0.163 175.224 175.328 -0.444 0.000 1.181 42 H CA 0.113 56.002 56.048 -0.265 0.000 1.376 42 H CB 1.667 31.324 29.762 -0.175 0.000 1.488 42 H HN 0.593 nan 8.280 nan 0.000 0.583 43 S N 0.525 116.214 115.700 -0.017 0.000 2.531 43 S HA -0.027 4.443 4.470 -0.000 0.000 0.279 43 S C 1.060 175.561 174.600 -0.164 0.000 1.305 43 S CA -0.674 57.400 58.200 -0.210 0.000 1.058 43 S CB 0.576 63.546 63.200 -0.385 0.000 0.899 43 S HN 0.795 nan 8.310 nan 0.000 0.493 44 E N 1.770 121.905 120.200 -0.109 0.000 2.515 44 E HA -0.081 4.269 4.350 -0.000 0.000 0.201 44 E C 0.405 176.936 176.600 -0.115 0.000 1.071 44 E CA 0.246 56.618 56.400 -0.047 0.000 0.880 44 E CB 0.008 29.775 29.700 0.111 0.000 0.828 44 E HN 0.623 nan 8.360 nan 0.000 0.540 45 N N -0.209 118.400 118.700 -0.152 0.000 2.416 45 N HA 0.135 4.875 4.740 -0.000 0.000 0.276 45 N C 0.131 175.503 175.510 -0.230 0.000 1.261 45 N CA -0.637 52.222 53.050 -0.318 0.000 0.790 45 N CB 1.551 39.613 38.487 -0.708 0.000 1.554 45 N HN -0.130 nan 8.380 nan 0.000 0.481 46 R N 0.754 121.109 120.500 -0.242 0.000 2.119 46 R HA 0.059 4.399 4.340 -0.000 0.000 0.222 46 R C 0.479 176.704 176.300 -0.124 0.000 1.088 46 R CA 1.163 57.170 56.100 -0.155 0.000 0.984 46 R CB -0.355 29.864 30.300 -0.135 0.000 0.884 46 R HN 0.577 nan 8.270 nan 0.000 0.447 47 D N -0.718 119.585 120.400 -0.161 0.000 2.216 47 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 47 D C 0.246 176.618 176.300 0.119 0.000 0.960 47 D CA 0.448 54.425 54.000 -0.037 0.000 0.861 47 D CB -0.060 40.722 40.800 -0.031 0.000 0.985 47 D HN 0.112 nan 8.370 nan 0.000 0.493 48 W N 3.887 125.133 121.300 -0.091 0.000 2.160 48 W HA 0.182 4.842 4.660 -0.000 0.000 0.464 48 W C 0.601 176.975 176.519 -0.242 0.000 0.914 48 W CA -0.763 56.517 57.345 -0.108 0.000 1.742 48 W CB -1.620 27.808 29.460 -0.054 0.000 1.780 48 W HN -0.215 nan 8.180 nan 0.000 0.307 49 T N -1.106 113.438 114.554 -0.016 0.000 2.918 49 T HA 0.590 4.940 4.350 -0.000 0.000 0.283 49 T C -0.144 174.461 174.700 -0.157 0.000 1.001 49 T CA -0.676 61.320 62.100 -0.173 0.000 1.041 49 T CB 1.279 70.126 68.868 -0.034 0.000 1.028 49 T HN -0.043 nan 8.240 nan 0.000 0.511 50 F N 1.330 121.360 119.950 0.133 0.000 2.389 50 F HA 0.402 4.929 4.527 -0.000 0.000 0.337 50 F C 1.401 177.281 175.800 0.133 0.000 1.112 50 F CA -0.668 57.423 58.000 0.151 0.000 1.192 50 F CB 0.599 39.677 39.000 0.130 0.000 1.185 50 F HN 0.720 nan 8.300 nan 0.000 0.552 51 N N -0.661 118.262 118.700 0.371 0.000 2.820 51 N HA 0.136 4.876 4.740 -0.000 0.000 0.236 51 N C -0.355 175.347 175.510 0.319 0.000 1.023 51 N CA -0.329 52.916 53.050 0.325 0.000 1.062 51 N CB 0.308 39.002 38.487 0.346 0.000 1.582 51 N HN 0.470 nan 8.380 nan 0.000 0.485 52 H N -0.281 118.890 119.070 0.169 0.000 2.864 52 H HA 0.633 5.189 4.556 -0.000 0.000 0.354 52 H C -1.311 174.091 175.328 0.122 0.000 1.208 52 H CA -0.770 55.362 56.048 0.140 0.000 1.191 52 H CB 2.848 32.671 29.762 0.102 0.000 1.889 52 H HN -0.046 nan 8.280 nan 0.000 0.574 53 L N 0.534 121.884 121.223 0.212 0.000 2.506 53 L HA 0.421 4.761 4.340 -0.000 0.000 0.257 53 L C -1.212 175.733 176.870 0.126 0.000 0.964 53 L CA -0.227 54.686 54.840 0.121 0.000 0.836 53 L CB 2.625 44.711 42.059 0.046 0.000 1.384 53 L HN 0.729 nan 8.230 nan 0.000 0.410 54 T N 2.083 116.696 114.554 0.098 0.000 2.830 54 T HA 0.676 5.026 4.350 -0.000 0.000 0.322 54 T C -1.961 172.803 174.700 0.106 0.000 1.501 54 T CA -0.352 61.821 62.100 0.120 0.000 1.036 54 T CB 1.585 70.535 68.868 0.135 0.000 1.379 54 T HN 0.360 nan 8.240 nan 0.000 0.493 55 V N 3.938 123.928 119.914 0.127 0.000 2.604 55 V HA 0.466 4.586 4.120 -0.000 0.000 0.305 55 V C -0.068 176.178 176.094 0.254 0.000 1.043 55 V CA -1.019 61.349 62.300 0.113 0.000 0.888 55 V CB 1.711 33.556 31.823 0.037 0.000 0.995 55 V HN 0.946 nan 8.190 nan 0.000 0.429 56 H N 4.887 124.088 119.070 0.218 0.000 2.955 56 H HA 0.117 4.673 4.556 -0.000 0.000 0.290 56 H C 1.279 176.780 175.328 0.288 0.000 1.047 56 H CA -0.016 56.206 56.048 0.289 0.000 1.484 56 H CB 0.827 30.737 29.762 0.246 0.000 1.501 56 H HN 0.744 nan 8.280 nan 0.000 0.521 57 R N 3.469 124.104 120.500 0.225 0.000 2.339 57 R HA 0.005 4.345 4.340 -0.000 0.000 0.199 57 R C 1.299 177.714 176.300 0.193 0.000 1.018 57 R CA 0.794 56.987 56.100 0.155 0.000 1.036 57 R CB 0.271 30.560 30.300 -0.019 0.000 0.899 57 R HN 0.440 nan 8.270 nan 0.000 0.473 58 R N -0.320 120.422 120.500 0.402 0.000 2.492 58 R HA 0.049 4.389 4.340 -0.000 0.000 0.219 58 R C 1.085 177.565 176.300 0.300 0.000 0.886 58 R CA 1.028 57.339 56.100 0.351 0.000 1.003 58 R CB 0.789 31.314 30.300 0.375 0.000 1.345 58 R HN 0.405 nan 8.270 nan 0.000 0.631 59 T N -4.354 110.416 114.554 0.360 0.000 2.969 59 T HA 0.209 4.559 4.350 -0.000 0.000 0.250 59 T C 1.246 175.998 174.700 0.087 0.000 1.021 59 T CA 0.696 62.859 62.100 0.106 0.000 1.003 59 T CB 1.122 69.928 68.868 -0.102 0.000 1.040 59 T HN 0.249 nan 8.240 nan 0.000 0.492 60 G N 1.738 110.629 108.800 0.153 0.000 2.143 60 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.249 60 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.249 60 G C 0.304 175.180 174.900 -0.040 0.000 0.981 60 G CA -0.026 45.126 45.100 0.086 0.000 0.665 60 G HN 1.248 nan 8.290 nan 0.000 0.528 61 A N -0.210 122.561 122.820 -0.082 0.000 2.488 61 A HA 0.579 4.899 4.320 -0.000 0.000 0.249 61 A C 0.584 177.883 177.584 -0.474 0.000 1.083 61 A CA 0.525 52.362 52.037 -0.333 0.000 0.768 61 A CB 0.772 19.503 19.000 -0.447 0.000 1.017 61 A HN 1.192 nan 8.150 nan 0.000 0.496 62 V N 4.435 124.000 119.914 -0.582 0.000 2.304 62 V HA 0.190 4.310 4.120 -0.000 0.000 0.269 62 V C -1.011 174.764 176.094 -0.531 0.000 1.036 62 V CA -0.210 61.755 62.300 -0.558 0.000 0.840 62 V CB -0.383 31.049 31.823 -0.652 0.000 1.036 62 V HN 0.684 nan 8.190 nan 0.000 0.466 63 Y N 3.434 123.640 120.300 -0.158 0.000 2.383 63 Y HA 0.475 5.025 4.550 -0.000 0.000 0.344 63 Y C 0.310 176.173 175.900 -0.061 0.000 0.986 63 Y CA -0.721 57.323 58.100 -0.094 0.000 1.175 63 Y CB 1.359 39.778 38.460 -0.067 0.000 1.152 63 Y HN 0.373 nan 8.280 nan 0.000 0.511 64 V N 3.857 123.837 119.914 0.110 0.000 2.266 64 V HA 0.402 4.522 4.120 -0.000 0.000 0.271 64 V C 0.694 176.971 176.094 0.306 0.000 1.032 64 V CA -1.076 61.310 62.300 0.144 0.000 0.806 64 V CB 0.735 32.575 31.823 0.028 0.000 1.052 64 V HN 0.981 nan 8.190 nan 0.000 0.449 65 G N 3.348 112.294 108.800 0.243 0.000 2.340 65 G HA2 0.536 4.496 3.960 -0.000 0.000 0.245 65 G HA3 0.536 4.496 3.960 -0.000 0.000 0.245 65 G C 0.020 175.117 174.900 0.328 0.000 1.294 65 G CA 0.748 45.979 45.100 0.219 0.000 0.896 65 G HN 1.141 nan 8.290 nan 0.000 0.522 66 A N 2.212 125.191 122.820 0.265 0.000 2.583 66 A HA 0.667 4.987 4.320 -0.000 0.000 0.289 66 A C -0.177 177.450 177.584 0.073 0.000 1.151 66 A CA -0.882 51.312 52.037 0.261 0.000 0.695 66 A CB 0.830 20.086 19.000 0.426 0.000 1.290 66 A HN 0.712 nan 8.150 nan 0.000 0.419 67 I N 2.102 122.695 120.570 0.038 0.000 2.752 67 I HA -0.045 4.125 4.170 -0.000 0.000 0.286 67 I C 0.341 176.299 176.117 -0.265 0.000 1.180 67 I CA 0.772 62.044 61.300 -0.047 0.000 1.404 67 I CB -0.214 37.809 38.000 0.038 0.000 1.389 67 I HN 0.735 nan 8.210 nan 0.000 0.549 68 N N 3.709 122.220 118.700 -0.316 0.000 2.955 68 N HA -0.191 4.549 4.740 -0.000 0.000 0.230 68 N C -0.243 174.960 175.510 -0.512 0.000 0.891 68 N CA 1.245 53.987 53.050 -0.513 0.000 1.002 68 N CB -0.614 37.293 38.487 -0.967 0.000 1.063 68 N HN 0.549 nan 8.380 nan 0.000 0.601 69 R N -0.221 120.046 120.500 -0.388 0.000 2.867 69 R HA 0.747 5.087 4.340 -0.000 0.000 0.268 69 R C -0.529 175.628 176.300 -0.238 0.000 1.014 69 R CA -0.691 55.153 56.100 -0.426 0.000 0.946 69 R CB 1.869 31.738 30.300 -0.719 0.000 1.208 69 R HN -0.092 nan 8.270 nan 0.000 0.477 70 V N 2.590 122.355 119.914 -0.248 0.000 2.564 70 V HA 0.236 4.356 4.120 -0.000 0.000 0.259 70 V C -1.138 174.926 176.094 -0.049 0.000 0.936 70 V CA -0.861 61.392 62.300 -0.079 0.000 0.867 70 V CB 0.137 31.904 31.823 -0.093 0.000 1.076 70 V HN 0.566 nan 8.190 nan 0.000 0.476 71 Y N 1.564 121.933 120.300 0.115 0.000 2.511 71 Y HA 0.304 4.854 4.550 -0.000 0.000 0.332 71 Y C 0.738 176.610 175.900 -0.046 0.000 1.177 71 Y CA 0.080 58.210 58.100 0.050 0.000 1.422 71 Y CB 0.635 39.113 38.460 0.031 0.000 1.271 71 Y HN 0.398 nan 8.280 nan 0.000 0.550 72 K N 4.890 125.327 120.400 0.061 0.000 2.185 72 K HA 0.614 4.934 4.320 -0.000 0.000 0.269 72 K C -1.480 174.980 176.600 -0.233 0.000 0.987 72 K CA -0.338 55.850 56.287 -0.166 0.000 0.865 72 K CB 0.530 32.960 32.500 -0.117 0.000 1.090 72 K HN 0.755 nan 8.250 nan 0.000 0.450 73 L N 1.719 122.711 121.223 -0.384 0.000 2.256 73 L HA 0.527 4.867 4.340 -0.000 0.000 0.261 73 L C 0.350 177.039 176.870 -0.301 0.000 1.022 73 L CA -1.244 53.390 54.840 -0.342 0.000 0.828 73 L CB 1.905 43.682 42.059 -0.470 0.000 1.374 73 L HN 0.744 nan 8.230 nan 0.000 0.436 74 T N -3.079 111.353 114.554 -0.205 0.000 2.927 74 T HA 0.317 4.667 4.350 -0.000 0.000 0.281 74 T C 1.246 175.869 174.700 -0.129 0.000 0.998 74 T CA -0.078 61.931 62.100 -0.150 0.000 1.019 74 T CB 1.481 70.298 68.868 -0.086 0.000 1.061 74 T HN 0.735 nan 8.240 nan 0.000 0.518 75 G N 1.777 110.531 108.800 -0.078 0.000 2.663 75 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.222 75 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.222 75 G C 1.108 176.005 174.900 -0.006 0.000 1.146 75 G CA 1.169 46.263 45.100 -0.011 0.000 0.764 75 G HN 0.977 nan 8.290 nan 0.000 0.608 76 N N 0.699 119.368 118.700 -0.052 0.000 2.389 76 N HA 0.165 4.905 4.740 -0.000 0.000 0.237 76 N C 0.596 176.089 175.510 -0.028 0.000 1.148 76 N CA -0.160 52.848 53.050 -0.070 0.000 0.854 76 N CB -0.242 38.205 38.487 -0.066 0.000 1.115 76 N HN 0.425 nan 8.380 nan 0.000 0.492 77 L N -0.622 120.585 121.223 -0.027 0.000 3.742 77 L HA -0.205 4.135 4.340 -0.000 0.000 0.431 77 L C -0.030 176.837 176.870 -0.005 0.000 1.220 77 L CA 0.727 55.539 54.840 -0.047 0.000 0.863 77 L CB -2.350 39.730 42.059 0.034 0.000 1.751 77 L HN 0.349 nan 8.230 nan 0.000 0.922 78 T N 0.310 114.849 114.554 -0.025 0.000 2.767 78 T HA 0.493 4.843 4.350 -0.000 0.000 0.284 78 T C 0.164 174.862 174.700 -0.004 0.000 0.973 78 T CA -0.624 61.492 62.100 0.026 0.000 0.996 78 T CB 0.917 69.801 68.868 0.026 0.000 0.927 78 T HN 0.246 nan 8.240 nan 0.000 0.456 79 I N 5.461 126.082 120.570 0.084 0.000 2.826 79 I HA 0.033 4.203 4.170 -0.000 0.000 0.295 79 I C 0.872 177.024 176.117 0.058 0.000 1.213 79 I CA 1.031 62.387 61.300 0.094 0.000 1.436 79 I CB 0.404 38.584 38.000 0.300 0.000 1.348 79 I HN 0.829 nan 8.210 nan 0.000 0.570 80 Q N 4.343 124.160 119.800 0.028 0.000 2.497 80 Q HA 0.357 4.697 4.340 -0.000 0.000 0.180 80 Q C -0.738 175.308 176.000 0.077 0.000 0.778 80 Q CA -0.103 55.719 55.803 0.032 0.000 0.803 80 Q CB 0.575 29.299 28.738 -0.023 0.000 1.129 80 Q HN 0.525 nan 8.270 nan 0.000 0.597 81 V N 1.928 121.886 119.914 0.073 0.000 2.311 81 V HA 0.503 4.623 4.120 -0.000 0.000 0.275 81 V C -0.218 175.955 176.094 0.130 0.000 1.022 81 V CA -0.689 61.669 62.300 0.097 0.000 0.830 81 V CB 0.529 32.403 31.823 0.084 0.000 1.012 81 V HN 0.376 nan 8.190 nan 0.000 0.452 82 A N 3.752 126.660 122.820 0.147 0.000 2.366 82 A HA 0.560 4.880 4.320 -0.000 0.000 0.249 82 A C -0.008 177.574 177.584 -0.003 0.000 1.084 82 A CA -0.101 51.978 52.037 0.070 0.000 0.794 82 A CB 0.284 19.364 19.000 0.133 0.000 1.034 82 A HN 0.964 nan 8.150 nan 0.000 0.491 83 H N 1.199 120.113 119.070 -0.259 0.000 3.277 83 H HA 0.239 4.795 4.556 -0.000 0.000 0.329 83 H C -0.875 174.279 175.328 -0.291 0.000 1.034 83 H CA -0.534 55.372 56.048 -0.236 0.000 1.530 83 H CB 0.823 30.468 29.762 -0.195 0.000 1.837 83 H HN 0.816 nan 8.280 nan 0.000 0.493 84 K N 2.700 122.812 120.400 -0.481 0.000 2.412 84 K HA 0.072 4.392 4.320 -0.000 0.000 0.281 84 K C 0.587 176.986 176.600 -0.335 0.000 1.027 84 K CA 0.685 56.731 56.287 -0.401 0.000 0.989 84 K CB 0.672 32.972 32.500 -0.333 0.000 0.935 84 K HN 0.685 nan 8.250 nan 0.000 0.475 85 T N 0.012 114.426 114.554 -0.233 0.000 2.975 85 T HA 0.339 4.689 4.350 -0.000 0.000 0.261 85 T C 0.547 175.159 174.700 -0.148 0.000 0.984 85 T CA -0.005 62.017 62.100 -0.129 0.000 0.911 85 T CB 0.675 69.504 68.868 -0.065 0.000 1.127 85 T HN 0.594 nan 8.240 nan 0.000 0.514 86 G N 1.606 110.262 108.800 -0.238 0.000 2.600 86 G HA2 0.649 4.609 3.960 -0.000 0.000 0.293 86 G HA3 0.649 4.609 3.960 -0.000 0.000 0.293 86 G C -3.419 171.331 174.900 -0.249 0.000 1.408 86 G CA -1.260 43.714 45.100 -0.209 0.000 0.782 86 G HN 0.030 nan 8.290 nan 0.000 0.482 87 P HA 0.473 nan 4.420 nan 0.000 0.278 87 P C -0.877 176.393 177.300 -0.051 0.000 1.266 87 P CA -0.191 62.865 63.100 -0.074 0.000 0.807 87 P CB 1.867 33.565 31.700 -0.004 0.000 1.094 88 E N -0.459 119.705 120.200 -0.059 0.000 2.456 88 E HA 0.267 4.617 4.350 -0.000 0.000 0.276 88 E C -0.598 175.985 176.600 -0.029 0.000 0.981 88 E CA -0.813 55.581 56.400 -0.009 0.000 0.814 88 E CB 1.165 30.907 29.700 0.071 0.000 1.382 88 E HN 0.395 nan 8.360 nan 0.000 0.459 89 E N 1.650 121.873 120.200 0.038 0.000 2.324 89 E HA 0.298 4.648 4.350 -0.000 0.000 0.271 89 E C -0.837 175.774 176.600 0.018 0.000 1.028 89 E CA 0.552 56.971 56.400 0.032 0.000 0.890 89 E CB 0.757 30.493 29.700 0.061 0.000 1.004 89 E HN 0.405 nan 8.360 nan 0.000 0.431 90 D N 1.592 121.967 120.400 -0.042 0.000 2.694 90 D HA 0.271 4.911 4.640 -0.000 0.000 0.260 90 D C -1.704 174.574 176.300 -0.037 0.000 1.250 90 D CA -0.561 53.393 54.000 -0.076 0.000 0.763 90 D CB 1.066 41.667 40.800 -0.331 0.000 1.311 90 D HN 0.265 nan 8.370 nan 0.000 0.420 91 N N 0.631 119.325 118.700 -0.010 0.000 2.324 91 N HA 0.303 5.043 4.740 -0.000 0.000 0.285 91 N C -0.286 175.244 175.510 0.034 0.000 1.076 91 N CA -0.505 52.552 53.050 0.011 0.000 0.864 91 N CB 1.848 40.351 38.487 0.026 0.000 1.632 91 N HN 0.239 nan 8.380 nan 0.000 0.478 92 K N 1.721 122.144 120.400 0.040 0.000 2.281 92 K HA 0.097 4.417 4.320 -0.000 0.000 0.203 92 K C 1.348 178.015 176.600 0.112 0.000 1.046 92 K CA 1.512 57.843 56.287 0.073 0.000 0.938 92 K CB -0.188 32.350 32.500 0.062 0.000 0.737 92 K HN 0.624 nan 8.250 nan 0.000 0.458 93 A N -0.350 122.527 122.820 0.095 0.000 2.067 93 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 93 A C 0.648 178.313 177.584 0.134 0.000 1.156 93 A CA 0.246 52.350 52.037 0.113 0.000 0.683 93 A CB -0.338 18.711 19.000 0.081 0.000 0.808 93 A HN 0.297 nan 8.150 nan 0.000 0.455 94 c N 0.564 119.231 118.600 0.112 0.000 2.667 94 c HA 0.403 4.973 4.570 -0.000 0.000 0.385 94 c C -0.281 173.890 174.090 0.136 0.000 1.299 94 c CA 0.153 56.537 56.329 0.092 0.000 1.554 94 c CB -2.563 39.982 42.510 0.059 0.000 2.275 94 c HN 0.456 nan 8.230 nan 0.000 0.588 95 Y N 4.042 124.310 120.300 -0.052 0.000 2.433 95 Y HA 0.482 5.032 4.550 -0.000 0.000 0.337 95 Y C -2.338 173.433 175.900 -0.214 0.000 1.026 95 Y CA -1.912 56.080 58.100 -0.179 0.000 1.037 95 Y CB 1.133 39.384 38.460 -0.348 0.000 1.245 95 Y HN 0.542 nan 8.280 nan 0.000 0.443 96 P HA 0.156 nan 4.420 nan 0.000 0.268 96 P C -2.710 174.291 177.300 -0.499 0.000 1.208 96 P CA -0.753 61.702 63.100 -1.075 0.000 0.777 96 P CB 0.073 31.344 31.700 -0.715 0.000 0.875 97 P HA 0.054 nan 4.420 nan 0.000 0.272 97 P C 1.019 178.194 177.300 -0.207 0.000 1.223 97 P CA -0.101 62.860 63.100 -0.232 0.000 0.784 97 P CB 0.764 32.264 31.700 -0.334 0.000 0.923 98 L N 1.381 122.578 121.223 -0.044 0.000 2.151 98 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 98 L C 2.373 179.135 176.870 -0.180 0.000 1.084 98 L CA 1.506 56.319 54.840 -0.045 0.000 0.764 98 L CB -0.482 41.649 42.059 0.121 0.000 0.891 98 L HN 0.408 nan 8.230 nan 0.000 0.435 99 I N -0.578 119.781 120.570 -0.351 0.000 2.361 99 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 99 I C 2.158 178.211 176.117 -0.107 0.000 1.133 99 I CA 1.429 62.520 61.300 -0.349 0.000 1.413 99 I CB -0.106 37.579 38.000 -0.525 0.000 1.073 99 I HN 0.261 nan 8.210 nan 0.000 0.424 100 V N -1.445 118.361 119.914 -0.181 0.000 3.660 100 V HA 0.165 4.285 4.120 -0.000 0.000 0.276 100 V C 0.277 176.311 176.094 -0.101 0.000 1.317 100 V CA 0.069 62.326 62.300 -0.072 0.000 1.097 100 V CB -0.338 31.405 31.823 -0.134 0.000 0.863 100 V HN 0.605 nan 8.190 nan 0.000 0.438 101 Q N -0.939 118.788 119.800 -0.122 0.000 2.666 101 Q HA 0.516 4.856 4.340 -0.000 0.000 0.276 101 Q C -3.420 172.530 176.000 -0.083 0.000 0.952 101 Q CA -1.589 54.154 55.803 -0.101 0.000 0.850 101 Q CB 1.144 29.815 28.738 -0.112 0.000 1.512 101 Q HN 0.128 nan 8.270 nan 0.000 0.395 102 P HA 0.229 nan 4.420 nan 0.000 0.275 102 P C -0.877 176.402 177.300 -0.036 0.000 1.227 102 P CA -0.322 62.753 63.100 -0.041 0.000 0.781 102 P CB 0.841 32.520 31.700 -0.035 0.000 0.906 103 c N 2.557 121.145 118.600 -0.019 0.000 2.396 103 c HA 0.425 4.995 4.570 -0.000 0.000 0.321 103 c C 0.800 174.891 174.090 0.002 0.000 1.233 103 c CA -0.332 55.991 56.329 -0.011 0.000 1.440 103 c CB 0.183 42.691 42.510 -0.004 0.000 2.110 103 c HN 0.645 nan 8.230 nan 0.000 0.473 104 S N 4.068 119.770 115.700 0.003 0.000 3.122 104 S HA 0.282 4.752 4.470 -0.000 0.000 0.249 104 S C -0.093 174.515 174.600 0.014 0.000 1.334 104 S CA -0.075 58.129 58.200 0.007 0.000 1.251 104 S CB -0.632 62.571 63.200 0.005 0.000 1.034 104 S HN 0.853 nan 8.310 nan 0.000 0.478 105 E N 0.601 120.811 120.200 0.018 0.000 2.299 105 E HA 0.324 4.674 4.350 -0.000 0.000 0.265 105 E C -0.695 175.917 176.600 0.020 0.000 0.911 105 E CA -1.011 55.403 56.400 0.022 0.000 0.789 105 E CB 2.233 31.951 29.700 0.031 0.000 1.246 105 E HN 0.118 nan 8.360 nan 0.000 0.427 106 V N 3.300 123.226 119.914 0.020 0.000 2.420 106 V HA -0.013 4.107 4.120 -0.000 0.000 0.274 106 V C 0.671 176.776 176.094 0.018 0.000 1.003 106 V CA 0.352 62.663 62.300 0.018 0.000 1.092 106 V CB -1.088 30.745 31.823 0.017 0.000 1.002 106 V HN 0.364 nan 8.190 nan 0.000 0.473 107 L N 5.136 126.370 121.223 0.018 0.000 2.453 107 L HA 0.536 4.876 4.340 -0.000 0.000 0.261 107 L C 0.572 177.449 176.870 0.012 0.000 1.179 107 L CA 0.057 54.907 54.840 0.017 0.000 0.813 107 L CB 0.614 42.687 42.059 0.023 0.000 1.110 107 L HN 0.575 nan 8.230 nan 0.000 0.466 108 T N 0.731 115.287 114.554 0.005 0.000 2.841 108 T HA 0.330 4.680 4.350 -0.000 0.000 0.296 108 T C -0.780 173.916 174.700 -0.006 0.000 1.166 108 T CA -0.664 61.438 62.100 0.002 0.000 1.007 108 T CB 1.901 70.771 68.868 0.003 0.000 1.253 108 T HN 0.287 nan 8.240 nan 0.000 0.511 109 L N 3.266 124.489 121.223 0.000 0.000 2.462 109 L HA 0.335 4.675 4.340 -0.000 0.000 0.283 109 L C -0.034 176.829 176.870 -0.011 0.000 1.166 109 L CA 0.440 55.279 54.840 -0.001 0.000 0.964 109 L CB -0.944 41.125 42.059 0.017 0.000 1.294 109 L HN 0.696 nan 8.230 nan 0.000 0.449 110 T N 2.957 117.483 114.554 -0.045 0.000 2.907 110 T HA 0.389 4.739 4.350 -0.000 0.000 0.284 110 T C 0.121 174.778 174.700 -0.072 0.000 1.004 110 T CA -0.823 61.242 62.100 -0.059 0.000 1.063 110 T CB 0.782 69.592 68.868 -0.097 0.000 0.992 110 T HN 0.417 nan 8.240 nan 0.000 0.483 111 N N 2.420 121.093 118.700 -0.046 0.000 2.513 111 N HA 0.181 4.921 4.740 -0.000 0.000 0.274 111 N C -0.495 174.964 175.510 -0.085 0.000 1.189 111 N CA -0.441 52.579 53.050 -0.050 0.000 0.975 111 N CB 0.679 39.168 38.487 0.004 0.000 1.157 111 N HN 0.468 nan 8.380 nan 0.000 0.465 112 N N 0.990 119.625 118.700 -0.108 0.000 2.546 112 N HA 0.188 4.928 4.740 -0.000 0.000 0.238 112 N C -1.276 174.190 175.510 -0.074 0.000 0.984 112 N CA -0.383 52.606 53.050 -0.103 0.000 0.935 112 N CB 0.611 39.027 38.487 -0.118 0.000 1.122 112 N HN 0.149 nan 8.380 nan 0.000 0.510 113 V N 3.405 123.295 119.914 -0.040 0.000 2.461 113 V HA 0.197 4.317 4.120 -0.000 0.000 0.275 113 V C 0.955 177.043 176.094 -0.011 0.000 1.047 113 V CA -0.950 61.347 62.300 -0.004 0.000 0.955 113 V CB 0.862 32.701 31.823 0.026 0.000 0.988 113 V HN 0.634 nan 8.190 nan 0.000 0.471 114 N N 4.157 122.859 118.700 0.004 0.000 2.400 114 N HA 0.071 4.811 4.740 -0.000 0.000 0.267 114 N C 0.823 176.271 175.510 -0.103 0.000 1.208 114 N CA -0.183 52.843 53.050 -0.041 0.000 0.951 114 N CB 0.451 38.938 38.487 -0.001 0.000 1.227 114 N HN 0.605 nan 8.380 nan 0.000 0.488 115 K N 2.492 122.803 120.400 -0.149 0.000 2.305 115 K HA 0.141 4.461 4.320 -0.000 0.000 0.199 115 K C 0.212 176.538 176.600 -0.457 0.000 1.047 115 K CA 0.534 56.719 56.287 -0.169 0.000 0.976 115 K CB 0.369 32.827 32.500 -0.070 0.000 0.765 115 K HN 0.528 nan 8.250 nan 0.000 0.474 116 L N -0.159 120.762 121.223 -0.503 0.000 2.556 116 L HA 0.438 4.778 4.340 -0.000 0.000 0.257 116 L C -2.172 174.486 176.870 -0.352 0.000 0.955 116 L CA -0.987 53.565 54.840 -0.480 0.000 0.850 116 L CB 1.761 43.666 42.059 -0.257 0.000 1.398 116 L HN -0.132 nan 8.230 nan 0.000 0.412 117 L N 5.224 126.288 121.223 -0.266 0.000 2.564 117 L HA 0.537 4.877 4.340 -0.000 0.000 0.259 117 L C -1.677 175.124 176.870 -0.114 0.000 1.101 117 L CA 0.279 55.029 54.840 -0.151 0.000 0.900 117 L CB 1.144 43.164 42.059 -0.065 0.000 1.110 117 L HN 0.436 nan 8.230 nan 0.000 0.468 118 I N 3.823 124.309 120.570 -0.139 0.000 2.339 118 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 118 I C 0.091 176.120 176.117 -0.148 0.000 0.994 118 I CA -0.612 60.623 61.300 -0.108 0.000 1.191 118 I CB 1.596 39.542 38.000 -0.091 0.000 1.343 118 I HN 0.320 nan 8.210 nan 0.000 0.458 119 I N 5.019 125.492 120.570 -0.163 0.000 2.533 119 I HA -0.006 4.164 4.170 -0.000 0.000 0.284 119 I C 0.183 176.150 176.117 -0.251 0.000 1.109 119 I CA 0.360 61.468 61.300 -0.321 0.000 1.412 119 I CB 0.320 38.015 38.000 -0.509 0.000 1.396 119 I HN 0.575 nan 8.210 nan 0.000 0.543 120 D N 6.305 126.563 120.400 -0.236 0.000 2.428 120 D HA 0.116 4.756 4.640 -0.000 0.000 0.221 120 D C 0.422 176.651 176.300 -0.118 0.000 1.123 120 D CA -0.111 53.827 54.000 -0.103 0.000 0.869 120 D CB 0.539 41.294 40.800 -0.074 0.000 1.032 120 D HN 0.322 nan 8.370 nan 0.000 0.506 121 Y N 1.866 122.156 120.300 -0.015 0.000 2.220 121 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 121 Y C 2.653 178.568 175.900 0.025 0.000 1.129 121 Y CA 1.156 59.257 58.100 0.001 0.000 1.161 121 Y CB -0.234 38.205 38.460 -0.035 0.000 0.997 121 Y HN 0.406 nan 8.280 nan 0.000 0.522 122 S N -0.065 115.735 115.700 0.166 0.000 2.359 122 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 122 S C 1.535 176.173 174.600 0.064 0.000 1.035 122 S CA 1.628 59.889 58.200 0.102 0.000 1.018 122 S CB -0.186 63.059 63.200 0.075 0.000 0.876 122 S HN 0.362 nan 8.310 nan 0.000 0.448 123 E N 1.019 121.240 120.200 0.036 0.000 2.419 123 E HA 0.190 4.540 4.350 -0.000 0.000 0.190 123 E C 0.167 176.765 176.600 -0.002 0.000 1.040 123 E CA -0.185 56.222 56.400 0.012 0.000 0.900 123 E CB -0.723 28.974 29.700 -0.005 0.000 1.054 123 E HN 0.657 nan 8.360 nan 0.000 0.462 124 N N 2.161 120.865 118.700 0.008 0.000 2.705 124 N HA -0.243 4.497 4.740 -0.000 0.000 0.255 124 N C -0.908 174.569 175.510 -0.054 0.000 1.008 124 N CA 0.697 53.745 53.050 -0.004 0.000 0.742 124 N CB -0.608 37.891 38.487 0.020 0.000 0.906 124 N HN 0.295 nan 8.380 nan 0.000 0.541 125 R N -0.868 119.571 120.500 -0.102 0.000 2.680 125 R HA 0.580 4.920 4.340 -0.000 0.000 0.269 125 R C -1.408 174.769 176.300 -0.206 0.000 1.026 125 R CA -1.153 54.868 56.100 -0.131 0.000 0.889 125 R CB 0.819 31.063 30.300 -0.092 0.000 1.241 125 R HN 0.055 nan 8.270 nan 0.000 0.463 126 L N 1.984 123.054 121.223 -0.256 0.000 2.357 126 L HA 0.482 4.822 4.340 -0.000 0.000 0.273 126 L C -1.095 175.641 176.870 -0.224 0.000 1.080 126 L CA -0.797 53.853 54.840 -0.318 0.000 0.803 126 L CB 1.484 43.266 42.059 -0.462 0.000 1.174 126 L HN 0.676 nan 8.230 nan 0.000 0.443 127 L N 5.119 126.220 121.223 -0.203 0.000 2.341 127 L HA 0.909 5.249 4.340 -0.000 0.000 0.278 127 L C -0.997 175.774 176.870 -0.165 0.000 1.005 127 L CA -0.349 54.395 54.840 -0.161 0.000 0.818 127 L CB 1.234 43.214 42.059 -0.132 0.000 1.259 127 L HN 0.754 nan 8.230 nan 0.000 0.418 128 A N 4.196 126.926 122.820 -0.150 0.000 2.427 128 A HA 0.796 5.116 4.320 -0.000 0.000 0.298 128 A C -1.179 176.333 177.584 -0.121 0.000 1.036 128 A CA -0.477 51.472 52.037 -0.145 0.000 0.701 128 A CB 1.027 19.939 19.000 -0.146 0.000 1.250 128 A HN 0.779 nan 8.150 nan 0.000 0.412 129 c N 0.692 119.215 118.600 -0.128 0.000 2.779 129 c HA 1.031 5.601 4.570 -0.000 0.000 0.314 129 c C 0.785 174.821 174.090 -0.090 0.000 1.231 129 c CA -0.105 56.165 56.329 -0.099 0.000 1.652 129 c CB 1.602 44.048 42.510 -0.106 0.000 2.198 129 c HN 1.349 nan 8.230 nan 0.000 0.483 130 G N 0.008 108.776 108.800 -0.054 0.000 2.708 130 G HA2 0.525 4.485 3.960 -0.000 0.000 0.289 130 G HA3 0.525 4.485 3.960 -0.000 0.000 0.289 130 G C 0.421 175.299 174.900 -0.036 0.000 1.416 130 G CA 0.349 45.422 45.100 -0.046 0.000 0.829 130 G HN 0.929 nan 8.290 nan 0.000 0.480 131 S N -0.712 114.961 115.700 -0.045 0.000 2.481 131 S HA 0.135 4.605 4.470 -0.000 0.000 0.231 131 S C 1.157 175.716 174.600 -0.068 0.000 0.996 131 S CA -0.004 58.167 58.200 -0.049 0.000 0.942 131 S CB -0.352 62.825 63.200 -0.039 0.000 0.768 131 S HN 0.380 nan 8.310 nan 0.000 0.520 132 L N 1.066 122.229 121.223 -0.101 0.000 2.464 132 L HA 0.174 4.514 4.340 -0.000 0.000 0.264 132 L C 0.169 176.974 176.870 -0.108 0.000 1.199 132 L CA -0.747 53.942 54.840 -0.253 0.000 0.818 132 L CB -0.215 41.600 42.059 -0.406 0.000 1.102 132 L HN 0.322 nan 8.230 nan 0.000 0.473 133 Y N 2.228 122.524 120.300 -0.008 0.000 3.007 133 Y HA -0.282 4.268 4.550 -0.000 0.000 0.212 133 Y C 0.794 176.686 175.900 -0.014 0.000 1.180 133 Y CA 0.523 58.593 58.100 -0.051 0.000 1.076 133 Y CB -2.171 36.216 38.460 -0.121 0.000 1.254 133 Y HN 0.619 nan 8.280 nan 0.000 0.534 134 Q N -2.264 117.629 119.800 0.155 0.000 2.475 134 Q HA -0.204 4.136 4.340 -0.000 0.000 0.280 134 Q C 0.809 176.909 176.000 0.167 0.000 1.234 134 Q CA 1.708 57.649 55.803 0.230 0.000 0.873 134 Q CB -1.870 27.167 28.738 0.499 0.000 1.256 134 Q HN 1.827 nan 8.270 nan 0.000 0.475 135 G N -0.937 107.924 108.800 0.102 0.000 2.638 135 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.269 135 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.269 135 G C 0.112 175.111 174.900 0.165 0.000 1.141 135 G CA -0.059 45.070 45.100 0.049 0.000 1.081 135 G HN 0.995 nan 8.290 nan 0.000 0.527 136 V N -1.898 118.147 119.914 0.219 0.000 2.572 136 V HA 0.627 4.747 4.120 -0.000 0.000 0.291 136 V C 0.959 177.073 176.094 0.033 0.000 1.039 136 V CA -0.775 61.654 62.300 0.215 0.000 1.055 136 V CB 1.162 33.147 31.823 0.271 0.000 0.969 136 V HN 0.704 nan 8.190 nan 0.000 0.482 137 c N 6.305 124.870 118.600 -0.058 0.000 2.351 137 c HA 0.690 5.260 4.570 -0.000 0.000 0.326 137 c C 0.117 174.153 174.090 -0.091 0.000 1.272 137 c CA -0.732 55.542 56.329 -0.091 0.000 1.650 137 c CB 0.832 43.265 42.510 -0.129 0.000 2.257 137 c HN 0.943 nan 8.230 nan 0.000 0.505 138 K N 3.510 123.863 120.400 -0.080 0.000 2.397 138 K HA 0.475 4.795 4.320 -0.000 0.000 0.253 138 K C -1.170 175.373 176.600 -0.094 0.000 0.932 138 K CA -0.391 55.852 56.287 -0.073 0.000 0.795 138 K CB 2.195 34.668 32.500 -0.046 0.000 1.159 138 K HN 0.629 nan 8.250 nan 0.000 0.424 139 L N 4.855 126.027 121.223 -0.085 0.000 2.295 139 L HA 0.288 4.628 4.340 -0.000 0.000 0.288 139 L C 0.109 176.926 176.870 -0.089 0.000 1.079 139 L CA -0.405 54.379 54.840 -0.094 0.000 0.830 139 L CB 0.223 42.234 42.059 -0.079 0.000 1.200 139 L HN 0.334 nan 8.230 nan 0.000 0.438 140 L N 3.374 124.519 121.223 -0.130 0.000 2.469 140 L HA 0.495 4.835 4.340 -0.000 0.000 0.253 140 L C 0.292 177.096 176.870 -0.109 0.000 1.143 140 L CA -0.812 53.945 54.840 -0.138 0.000 0.804 140 L CB 0.700 42.611 42.059 -0.247 0.000 1.214 140 L HN 0.529 nan 8.230 nan 0.000 0.476 141 R N -0.364 120.097 120.500 -0.065 0.000 2.532 141 R HA 0.379 4.719 4.340 -0.000 0.000 0.295 141 R C 0.773 177.045 176.300 -0.047 0.000 0.968 141 R CA -0.493 55.587 56.100 -0.032 0.000 0.916 141 R CB 1.267 31.594 30.300 0.046 0.000 1.124 141 R HN 0.572 nan 8.270 nan 0.000 0.463 142 L N 1.925 123.115 121.223 -0.055 0.000 2.109 142 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 142 L C 1.409 178.333 176.870 0.090 0.000 1.086 142 L CA 1.009 55.839 54.840 -0.016 0.000 0.760 142 L CB -0.239 41.790 42.059 -0.051 0.000 0.910 142 L HN 0.743 nan 8.230 nan 0.000 0.437 143 D N 0.283 120.710 120.400 0.045 0.000 2.117 143 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 143 D C 1.041 177.387 176.300 0.077 0.000 0.987 143 D CA 1.668 55.696 54.000 0.047 0.000 0.829 143 D CB 0.146 40.963 40.800 0.028 0.000 0.961 143 D HN 0.569 nan 8.370 nan 0.000 0.460 144 D N -2.339 118.126 120.400 0.109 0.000 2.480 144 D HA 0.049 4.689 4.640 -0.000 0.000 0.276 144 D C 0.808 177.197 176.300 0.148 0.000 1.294 144 D CA -0.159 53.932 54.000 0.151 0.000 0.829 144 D CB -0.501 40.432 40.800 0.221 0.000 1.242 144 D HN 0.206 nan 8.370 nan 0.000 0.513 145 L N -0.370 120.900 121.223 0.079 0.000 4.140 145 L HA -0.204 4.136 4.340 -0.000 0.000 0.406 145 L C -0.617 176.216 176.870 -0.062 0.000 1.175 145 L CA 0.091 54.881 54.840 -0.084 0.000 0.939 145 L CB -2.046 39.882 42.059 -0.218 0.000 2.105 145 L HN 0.076 nan 8.230 nan 0.000 0.803 146 F N 1.291 121.244 119.950 0.006 0.000 2.438 146 F HA 0.346 4.873 4.527 -0.000 0.000 0.356 146 F C 1.267 177.076 175.800 0.016 0.000 1.099 146 F CA -0.340 57.692 58.000 0.054 0.000 1.185 146 F CB 0.646 39.666 39.000 0.034 0.000 1.115 146 F HN -0.103 nan 8.300 nan 0.000 0.526 147 I N 7.180 127.853 120.570 0.172 0.000 3.022 147 I HA -0.228 3.942 4.170 -0.000 0.000 0.290 147 I C 1.287 177.481 176.117 0.129 0.000 1.212 147 I CA 0.519 61.883 61.300 0.107 0.000 1.377 147 I CB 0.016 38.064 38.000 0.081 0.000 1.417 147 I HN 0.752 nan 8.210 nan 0.000 0.540 148 L N 6.942 128.201 121.223 0.061 0.000 2.072 148 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 148 L C 0.384 177.264 176.870 0.017 0.000 1.079 148 L CA 1.069 55.931 54.840 0.036 0.000 0.752 148 L CB 0.163 42.224 42.059 0.002 0.000 0.906 148 L HN 0.399 nan 8.230 nan 0.000 0.436 149 V N -0.409 119.504 119.914 -0.002 0.000 2.567 149 V HA 0.227 4.347 4.120 -0.000 0.000 0.298 149 V C -0.337 175.742 176.094 -0.025 0.000 1.047 149 V CA -0.923 61.367 62.300 -0.015 0.000 0.880 149 V CB 1.931 33.735 31.823 -0.032 0.000 1.009 149 V HN 0.083 nan 8.190 nan 0.000 0.429 150 E N 6.515 126.704 120.200 -0.019 0.000 2.283 150 E HA 0.411 4.761 4.350 -0.000 0.000 0.278 150 E C -2.309 174.253 176.600 -0.063 0.000 1.027 150 E CA -1.639 54.737 56.400 -0.040 0.000 0.843 150 E CB 1.777 31.465 29.700 -0.020 0.000 1.062 150 E HN 0.495 nan 8.360 nan 0.000 0.401 151 P HA 0.075 nan 4.420 nan 0.000 0.276 151 P C -0.455 176.737 177.300 -0.179 0.000 1.244 151 P CA -0.419 62.624 63.100 -0.096 0.000 0.801 151 P CB 0.994 32.600 31.700 -0.157 0.000 1.006 152 S N 0.379 115.963 115.700 -0.194 0.000 2.614 152 S HA -0.034 4.436 4.470 -0.000 0.000 0.251 152 S C 0.960 175.368 174.600 -0.320 0.000 1.388 152 S CA -0.061 57.978 58.200 -0.268 0.000 0.973 152 S CB -0.381 62.565 63.200 -0.423 0.000 0.926 152 S HN 0.502 nan 8.310 nan 0.000 0.580 153 H N 0.005 118.959 119.070 -0.192 0.000 2.550 153 H HA 0.222 4.778 4.556 -0.000 0.000 0.304 153 H C 0.011 175.266 175.328 -0.121 0.000 1.086 153 H CA -0.102 55.901 56.048 -0.075 0.000 1.089 153 H CB 0.053 29.765 29.762 -0.084 0.000 1.528 153 H HN 0.303 nan 8.280 nan 0.000 0.539 154 K N 2.661 122.932 120.400 -0.214 0.000 2.276 154 K HA 0.027 4.347 4.320 -0.000 0.000 0.285 154 K C 1.386 177.976 176.600 -0.016 0.000 1.062 154 K CA -0.392 55.767 56.287 -0.212 0.000 0.918 154 K CB 0.879 33.122 32.500 -0.428 0.000 1.055 154 K HN 0.347 nan 8.250 nan 0.000 0.477 155 K N 4.329 124.751 120.400 0.037 0.000 2.211 155 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 155 K C 0.642 177.432 176.600 0.317 0.000 1.047 155 K CA 1.444 57.803 56.287 0.120 0.000 0.935 155 K CB 0.121 32.508 32.500 -0.189 0.000 0.728 155 K HN 0.596 nan 8.250 nan 0.000 0.452 156 E N 1.175 121.497 120.200 0.205 0.000 2.347 156 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 156 E C 1.265 177.922 176.600 0.095 0.000 1.008 156 E CA 0.875 57.386 56.400 0.185 0.000 0.852 156 E CB -0.650 29.074 29.700 0.040 0.000 0.783 156 E HN 0.648 nan 8.360 nan 0.000 0.505 157 H N -0.374 118.577 119.070 -0.198 0.000 2.567 157 H HA 0.008 4.564 4.556 -0.000 0.000 0.276 157 H C -0.233 174.758 175.328 -0.561 0.000 1.016 157 H CA 0.245 56.024 56.048 -0.447 0.000 1.186 157 H CB -0.029 29.374 29.762 -0.599 0.000 1.351 157 H HN 0.139 nan 8.280 nan 0.000 0.605 158 Y N 0.103 120.494 120.300 0.152 0.000 2.341 158 Y HA 0.144 4.694 4.550 -0.000 0.000 0.337 158 Y C 0.848 176.886 175.900 0.229 0.000 1.014 158 Y CA -0.603 57.595 58.100 0.163 0.000 1.111 158 Y CB 1.400 39.980 38.460 0.201 0.000 1.194 158 Y HN -0.104 nan 8.280 nan 0.000 0.462 159 L N 1.055 122.353 121.223 0.125 0.000 2.316 159 L HA 0.233 4.573 4.340 -0.000 0.000 0.207 159 L C 0.499 177.036 176.870 -0.554 0.000 1.070 159 L CA 0.490 55.303 54.840 -0.045 0.000 0.820 159 L CB 0.382 42.388 42.059 -0.087 0.000 0.992 159 L HN 0.565 nan 8.230 nan 0.000 0.466 160 S N -1.543 113.601 115.700 -0.927 0.000 2.579 160 S HA 0.134 4.604 4.470 -0.000 0.000 0.290 160 S C 0.353 174.510 174.600 -0.739 0.000 1.123 160 S CA -0.242 57.107 58.200 -1.418 0.000 0.894 160 S CB 1.242 64.078 63.200 -0.606 0.000 1.095 160 S HN 0.161 nan 8.310 nan 0.000 0.450 161 S N 2.182 117.566 115.700 -0.527 0.000 2.603 161 S HA 0.189 4.659 4.470 -0.000 0.000 0.220 161 S C 0.567 175.151 174.600 -0.026 0.000 0.967 161 S CA -0.093 58.083 58.200 -0.040 0.000 0.920 161 S CB -0.177 63.160 63.200 0.228 0.000 0.773 161 S HN 0.591 nan 8.310 nan 0.000 0.529 162 V N 4.712 124.581 119.914 -0.075 0.000 2.521 162 V HA 0.153 4.273 4.120 -0.000 0.000 0.286 162 V C 0.826 176.921 176.094 0.001 0.000 1.034 162 V CA -0.098 62.195 62.300 -0.011 0.000 1.045 162 V CB 0.302 32.121 31.823 -0.005 0.000 0.974 162 V HN 0.740 nan 8.190 nan 0.000 0.480 163 N N 4.206 122.924 118.700 0.028 0.000 2.338 163 N HA 0.106 4.846 4.740 -0.000 0.000 0.251 163 N C -0.233 175.310 175.510 0.055 0.000 1.199 163 N CA -0.569 52.498 53.050 0.028 0.000 0.879 163 N CB 0.425 38.920 38.487 0.014 0.000 1.159 163 N HN 0.766 nan 8.380 nan 0.000 0.514 164 K N -0.393 120.058 120.400 0.084 0.000 2.270 164 K HA 0.488 4.808 4.320 -0.000 0.000 0.255 164 K C -0.634 176.054 176.600 0.147 0.000 0.936 164 K CA -0.647 55.704 56.287 0.106 0.000 0.809 164 K CB 1.334 33.900 32.500 0.110 0.000 1.131 164 K HN -0.206 nan 8.250 nan 0.000 0.427 165 T N 0.540 115.184 114.554 0.149 0.000 2.868 165 T HA 0.352 4.702 4.350 -0.000 0.000 0.292 165 T C 0.963 175.799 174.700 0.226 0.000 1.028 165 T CA 0.482 62.706 62.100 0.208 0.000 1.059 165 T CB 0.819 69.809 68.868 0.204 0.000 0.991 165 T HN 0.947 nan 8.240 nan 0.000 0.531 166 G N 0.844 109.824 108.800 0.299 0.000 2.212 166 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.255 166 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.255 166 G C 0.508 175.633 174.900 0.375 0.000 1.062 166 G CA 0.586 45.865 45.100 0.298 0.000 0.815 166 G HN 1.230 nan 8.290 nan 0.000 0.497 167 T N -3.766 111.029 114.554 0.403 0.000 3.087 167 T HA 0.624 4.974 4.350 -0.000 0.000 0.283 167 T C 0.552 175.481 174.700 0.382 0.000 0.956 167 T CA 0.753 63.134 62.100 0.468 0.000 0.894 167 T CB 0.334 69.478 68.868 0.459 0.000 1.160 167 T HN 0.892 nan 8.240 nan 0.000 0.532 168 M N 0.994 120.806 119.600 0.353 0.000 2.386 168 M HA 0.704 5.184 4.480 -0.000 0.000 0.293 168 M C -2.334 174.205 176.300 0.399 0.000 1.120 168 M CA -0.958 54.498 55.300 0.260 0.000 0.909 168 M CB 2.632 35.294 32.600 0.103 0.000 1.661 168 M HN 0.220 nan 8.290 nan 0.000 0.452 169 Y N 1.464 121.894 120.300 0.216 0.000 2.571 169 Y HA 0.757 5.307 4.550 -0.000 0.000 0.341 169 Y C -0.607 175.460 175.900 0.279 0.000 1.076 169 Y CA -0.307 57.955 58.100 0.270 0.000 1.029 169 Y CB 2.571 41.240 38.460 0.348 0.000 1.308 169 Y HN 0.776 nan 8.280 nan 0.000 0.461 170 G N 1.623 110.473 108.800 0.083 0.000 2.612 170 G HA2 0.618 4.578 3.960 -0.000 0.000 0.298 170 G HA3 0.618 4.578 3.960 -0.000 0.000 0.298 170 G C -2.309 172.696 174.900 0.175 0.000 1.336 170 G CA -0.830 44.399 45.100 0.216 0.000 0.953 170 G HN 0.518 nan 8.290 nan 0.000 0.482 171 V N 1.723 121.811 119.914 0.290 0.000 2.577 171 V HA 0.418 4.538 4.120 -0.000 0.000 0.303 171 V C -0.260 175.966 176.094 0.220 0.000 1.042 171 V CA -0.598 61.807 62.300 0.175 0.000 0.872 171 V CB 1.645 33.504 31.823 0.059 0.000 0.998 171 V HN 0.678 nan 8.190 nan 0.000 0.423 172 I N 4.643 125.296 120.570 0.138 0.000 2.312 172 I HA 0.367 4.537 4.170 -0.000 0.000 0.291 172 I C -0.480 175.724 176.117 0.145 0.000 1.031 172 I CA -0.440 60.936 61.300 0.126 0.000 1.293 172 I CB 1.524 39.565 38.000 0.068 0.000 1.403 172 I HN 0.313 nan 8.210 nan 0.000 0.484 173 V N 7.614 127.640 119.914 0.186 0.000 2.304 173 V HA 0.343 4.463 4.120 -0.000 0.000 0.278 173 V C 0.327 176.494 176.094 0.121 0.000 1.018 173 V CA -0.597 61.808 62.300 0.174 0.000 0.814 173 V CB 1.200 33.185 31.823 0.269 0.000 1.021 173 V HN 0.658 nan 8.190 nan 0.000 0.440 174 R N 3.384 123.935 120.500 0.085 0.000 3.463 174 R HA 0.298 4.638 4.340 -0.000 0.000 0.303 174 R C 0.397 176.728 176.300 0.051 0.000 1.370 174 R CA -0.185 55.951 56.100 0.060 0.000 1.524 174 R CB 0.490 30.820 30.300 0.049 0.000 1.389 174 R HN 0.793 nan 8.270 nan 0.000 0.640 175 S N 0.267 115.998 115.700 0.051 0.000 2.549 175 S HA 0.007 4.477 4.470 -0.000 0.000 0.286 175 S C 0.228 174.844 174.600 0.026 0.000 1.314 175 S CA -0.580 57.640 58.200 0.034 0.000 1.062 175 S CB 1.357 64.572 63.200 0.025 0.000 0.865 175 S HN 0.484 nan 8.310 nan 0.000 0.498 176 E N 0.914 121.126 120.200 0.021 0.000 2.452 176 E HA 0.319 4.669 4.350 -0.000 0.000 0.261 176 E C 1.325 177.933 176.600 0.013 0.000 0.987 176 E CA 0.986 57.397 56.400 0.018 0.000 0.926 176 E CB -0.105 29.605 29.700 0.017 0.000 0.934 176 E HN 0.999 nan 8.360 nan 0.000 0.452 177 G N 3.652 112.460 108.800 0.012 0.000 2.376 177 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.208 177 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.208 177 G C 0.069 174.974 174.900 0.007 0.000 1.032 177 G CA 0.066 45.171 45.100 0.009 0.000 0.641 177 G HN 0.537 nan 8.290 nan 0.000 0.503 178 E N 0.345 120.551 120.200 0.009 0.000 2.243 178 E HA 0.584 4.934 4.350 -0.000 0.000 0.260 178 E C 0.306 176.909 176.600 0.005 0.000 0.985 178 E CA -0.448 55.955 56.400 0.006 0.000 0.858 178 E CB 1.084 30.788 29.700 0.007 0.000 1.210 178 E HN 0.061 nan 8.360 nan 0.000 0.411 179 D N 0.468 120.866 120.400 -0.002 0.000 2.221 179 D HA 0.059 4.699 4.640 -0.000 0.000 0.204 179 D C 0.499 176.796 176.300 -0.004 0.000 0.982 179 D CA 1.609 55.605 54.000 -0.007 0.000 0.857 179 D CB -0.147 40.642 40.800 -0.019 0.000 0.934 179 D HN 0.577 nan 8.370 nan 0.000 0.475 180 G N 0.174 108.975 108.800 0.001 0.000 2.781 180 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.683 180 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.683 180 G C -0.612 174.278 174.900 -0.015 0.000 1.390 180 G CA -0.202 44.905 45.100 0.011 0.000 0.850 180 G HN 0.420 nan 8.290 nan 0.000 0.557 181 K N -1.389 119.005 120.400 -0.009 0.000 2.522 181 K HA 0.792 5.112 4.320 -0.000 0.000 0.275 181 K C -1.378 175.196 176.600 -0.045 0.000 1.006 181 K CA -1.226 55.016 56.287 -0.076 0.000 0.890 181 K CB 2.368 34.766 32.500 -0.171 0.000 1.475 181 K HN 1.182 nan 8.250 nan 0.000 0.441 182 L N 1.529 122.692 121.223 -0.099 0.000 2.298 182 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 182 L C -1.599 175.240 176.870 -0.052 0.000 1.013 182 L CA -0.385 54.442 54.840 -0.021 0.000 0.824 182 L CB 0.553 42.588 42.059 -0.041 0.000 1.221 182 L HN 0.566 nan 8.230 nan 0.000 0.418 183 F N 6.377 126.422 119.950 0.158 0.000 2.421 183 F HA 0.481 5.008 4.527 -0.000 0.000 0.358 183 F C 0.182 176.112 175.800 0.216 0.000 1.115 183 F CA 0.074 58.218 58.000 0.240 0.000 1.160 183 F CB 1.062 40.310 39.000 0.414 0.000 1.123 183 F HN 0.375 nan 8.300 nan 0.000 0.508 184 I N 2.666 123.318 120.570 0.136 0.000 2.569 184 I HA 0.733 4.903 4.170 -0.000 0.000 0.290 184 I C -0.576 175.349 176.117 -0.320 0.000 1.088 184 I CA -0.279 60.998 61.300 -0.039 0.000 1.047 184 I CB 1.679 39.661 38.000 -0.029 0.000 1.237 184 I HN 0.584 nan 8.210 nan 0.000 0.421 185 G N 3.719 112.190 108.800 -0.547 0.000 2.542 185 G HA2 0.654 4.614 3.960 -0.000 0.000 0.311 185 G HA3 0.654 4.614 3.960 -0.000 0.000 0.311 185 G C -1.343 173.034 174.900 -0.872 0.000 1.298 185 G CA -0.417 44.004 45.100 -1.131 0.000 0.973 185 G HN 0.555 nan 8.290 nan 0.000 0.487 186 T N -0.536 113.595 114.554 -0.705 0.000 2.853 186 T HA 0.649 4.999 4.350 -0.000 0.000 0.311 186 T C -0.053 174.617 174.700 -0.051 0.000 1.307 186 T CA 0.237 62.209 62.100 -0.212 0.000 1.019 186 T CB 1.326 70.109 68.868 -0.142 0.000 1.264 186 T HN 1.355 nan 8.240 nan 0.000 0.497 187 A N 1.352 124.178 122.820 0.009 0.000 2.445 187 A HA 0.514 4.834 4.320 -0.000 0.000 0.242 187 A C 1.246 178.787 177.584 -0.071 0.000 1.075 187 A CA 0.314 52.292 52.037 -0.099 0.000 0.777 187 A CB -0.022 18.892 19.000 -0.144 0.000 1.013 187 A HN 1.574 nan 8.150 nan 0.000 0.493 188 V N -1.270 118.608 119.914 -0.060 0.000 3.252 188 V HA 0.291 4.411 4.120 -0.000 0.000 0.320 188 V C 0.238 176.376 176.094 0.074 0.000 1.459 188 V CA 0.662 63.009 62.300 0.079 0.000 1.095 188 V CB -1.048 30.872 31.823 0.162 0.000 0.997 188 V HN 0.915 nan 8.190 nan 0.000 0.469 189 D N 2.000 122.386 120.400 -0.023 0.000 2.779 189 D HA -0.074 4.566 4.640 -0.000 0.000 0.223 189 D C 1.597 177.867 176.300 -0.050 0.000 1.227 189 D CA 2.010 55.990 54.000 -0.032 0.000 0.653 189 D CB -1.185 39.623 40.800 0.014 0.000 0.973 189 D HN 1.446 nan 8.370 nan 0.000 0.402 190 G N 0.604 109.360 108.800 -0.073 0.000 2.284 190 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.261 190 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.261 190 G C 0.302 175.130 174.900 -0.121 0.000 0.997 190 G CA 0.506 45.554 45.100 -0.088 0.000 0.621 190 G HN 0.489 nan 8.290 nan 0.000 0.534 191 K N 1.933 122.251 120.400 -0.138 0.000 2.083 191 K HA 0.177 4.497 4.320 -0.000 0.000 0.246 191 K C 1.693 178.166 176.600 -0.211 0.000 1.160 191 K CA 0.378 56.468 56.287 -0.328 0.000 1.060 191 K CB 0.871 33.113 32.500 -0.430 0.000 1.417 191 K HN 0.717 nan 8.250 nan 0.000 0.329 192 Q N 0.811 120.515 119.800 -0.160 0.000 2.311 192 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 192 Q C 0.043 175.998 176.000 -0.074 0.000 0.954 192 Q CA 1.351 57.122 55.803 -0.053 0.000 0.885 192 Q CB 0.214 28.955 28.738 0.004 0.000 0.963 192 Q HN 0.280 nan 8.270 nan 0.000 0.471 193 D N -0.064 120.227 120.400 -0.182 0.000 2.137 193 D HA -0.054 4.586 4.640 -0.000 0.000 0.202 193 D C 1.614 177.899 176.300 -0.024 0.000 0.970 193 D CA 0.878 54.821 54.000 -0.095 0.000 0.837 193 D CB -0.122 40.614 40.800 -0.107 0.000 0.981 193 D HN 0.240 nan 8.370 nan 0.000 0.475 194 Y N -0.372 119.645 120.300 -0.472 0.000 2.184 194 Y HA 0.098 4.648 4.550 -0.000 0.000 0.290 194 Y C 0.627 176.062 175.900 -0.775 0.000 1.129 194 Y CA 0.209 57.750 58.100 -0.932 0.000 1.144 194 Y CB -0.557 36.793 38.460 -1.851 0.000 0.995 194 Y HN -0.172 nan 8.280 nan 0.000 0.513 195 F N 0.717 120.743 119.950 0.127 0.000 2.540 195 F HA 0.520 5.047 4.527 -0.000 0.000 0.317 195 F C -2.464 173.380 175.800 0.075 0.000 1.104 195 F CA -3.505 54.565 58.000 0.116 0.000 0.913 195 F CB 1.100 40.152 39.000 0.086 0.000 1.170 195 F HN -0.286 nan 8.300 nan 0.000 0.450 196 P HA 0.080 nan 4.420 nan 0.000 0.274 196 P C 0.488 177.862 177.300 0.124 0.000 1.237 196 P CA -0.119 63.061 63.100 0.133 0.000 0.793 196 P CB 1.524 33.254 31.700 0.050 0.000 0.977 197 T N 0.604 115.232 114.554 0.123 0.000 2.857 197 T HA 0.019 4.369 4.350 -0.000 0.000 0.266 197 T C 0.546 175.230 174.700 -0.026 0.000 1.048 197 T CA 0.839 63.001 62.100 0.102 0.000 1.139 197 T CB -0.432 68.556 68.868 0.201 0.000 0.874 197 T HN 0.341 nan 8.240 nan 0.000 0.455 198 L N 1.438 122.700 121.223 0.064 0.000 2.493 198 L HA 0.631 4.971 4.340 -0.000 0.000 0.265 198 L C -1.374 175.604 176.870 0.181 0.000 0.954 198 L CA -0.257 54.589 54.840 0.010 0.000 0.844 198 L CB 2.232 44.368 42.059 0.128 0.000 1.302 198 L HN 0.213 nan 8.230 nan 0.000 0.405 199 S N 1.370 117.156 115.700 0.144 0.000 2.570 199 S HA 0.763 5.233 4.470 -0.000 0.000 0.270 199 S C -0.974 173.709 174.600 0.138 0.000 1.149 199 S CA -0.343 57.925 58.200 0.112 0.000 0.837 199 S CB 1.508 64.726 63.200 0.029 0.000 1.124 199 S HN 0.924 nan 8.310 nan 0.000 0.465 200 S N 1.561 117.248 115.700 -0.022 0.000 2.474 200 S HA 0.694 5.164 4.470 -0.000 0.000 0.321 200 S C -0.521 173.960 174.600 -0.199 0.000 1.080 200 S CA -0.899 57.128 58.200 -0.288 0.000 1.106 200 S CB 0.460 63.221 63.200 -0.732 0.000 0.984 200 S HN 0.681 nan 8.310 nan 0.000 0.464 201 R N 2.461 122.852 120.500 -0.182 0.000 2.643 201 R HA 0.483 4.823 4.340 -0.000 0.000 0.272 201 R C -0.383 175.805 176.300 -0.188 0.000 0.995 201 R CA -0.808 55.190 56.100 -0.169 0.000 1.032 201 R CB 0.614 30.799 30.300 -0.191 0.000 1.126 201 R HN 0.668 nan 8.270 nan 0.000 0.505 202 K N 1.187 121.475 120.400 -0.187 0.000 2.297 202 K HA 0.236 4.556 4.320 -0.000 0.000 0.286 202 K C -0.395 176.120 176.600 -0.141 0.000 1.053 202 K CA -0.309 55.889 56.287 -0.148 0.000 0.940 202 K CB 0.567 32.987 32.500 -0.134 0.000 1.019 202 K HN 0.139 nan 8.250 nan 0.000 0.475 203 L N 6.853 128.015 121.223 -0.102 0.000 2.408 203 L HA 0.333 4.673 4.340 -0.000 0.000 0.257 203 L C -2.473 174.361 176.870 -0.060 0.000 1.053 203 L CA -1.857 52.932 54.840 -0.085 0.000 0.922 203 L CB 0.962 42.978 42.059 -0.070 0.000 1.261 203 L HN 0.454 nan 8.230 nan 0.000 0.458 204 P HA 0.350 nan 4.420 nan 0.000 0.278 204 P C 0.220 177.501 177.300 -0.032 0.000 1.258 204 P CA -0.603 62.471 63.100 -0.043 0.000 0.811 204 P CB 0.944 32.617 31.700 -0.045 0.000 1.063 205 R N 0.400 120.887 120.500 -0.022 0.000 2.096 205 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 205 R C 0.463 176.753 176.300 -0.017 0.000 1.134 205 R CA 1.265 57.356 56.100 -0.015 0.000 0.917 205 R CB -1.764 28.530 30.300 -0.009 0.000 0.832 205 R HN 0.578 nan 8.270 nan 0.000 0.430 206 D N 2.889 123.279 120.400 -0.017 0.000 2.554 206 D HA -0.047 4.593 4.640 -0.000 0.000 0.251 206 D C -1.340 174.947 176.300 -0.022 0.000 1.213 206 D CA -1.021 52.969 54.000 -0.018 0.000 0.900 206 D CB 0.844 41.634 40.800 -0.017 0.000 1.135 206 D HN 0.040 nan 8.370 nan 0.000 0.522 207 P HA -0.134 nan 4.420 nan 0.000 0.219 207 P C 0.867 178.155 177.300 -0.021 0.000 1.150 207 P CA 0.765 63.851 63.100 -0.023 0.000 0.814 207 P CB 0.419 32.107 31.700 -0.020 0.000 0.787 208 E N 0.506 120.695 120.200 -0.018 0.000 2.106 208 E HA -0.055 4.295 4.350 -0.000 0.000 0.192 208 E C 1.079 177.670 176.600 -0.016 0.000 0.984 208 E CA 0.399 56.790 56.400 -0.015 0.000 0.806 208 E CB -0.977 28.715 29.700 -0.014 0.000 0.750 208 E HN 0.158 nan 8.360 nan 0.000 0.458 209 S N 0.572 116.260 115.700 -0.019 0.000 2.593 209 S HA -0.096 4.374 4.470 -0.000 0.000 0.303 209 S C 1.149 175.739 174.600 -0.017 0.000 1.267 209 S CA 0.123 58.311 58.200 -0.020 0.000 1.047 209 S CB 0.399 63.584 63.200 -0.025 0.000 0.777 209 S HN 0.071 nan 8.310 nan 0.000 0.498 210 S N 3.844 119.537 115.700 -0.012 0.000 2.562 210 S HA 0.105 4.575 4.470 -0.000 0.000 0.221 210 S C 2.001 176.616 174.600 0.024 0.000 0.975 210 S CA 0.423 58.624 58.200 0.001 0.000 0.918 210 S CB -0.213 62.981 63.200 -0.010 0.000 0.772 210 S HN 0.825 nan 8.310 nan 0.000 0.531 211 A N 1.264 124.078 122.820 -0.010 0.000 2.070 211 A HA 0.044 4.364 4.320 -0.000 0.000 0.220 211 A C 1.127 178.661 177.584 -0.084 0.000 1.159 211 A CA 0.577 52.592 52.037 -0.037 0.000 0.656 211 A CB -0.628 18.342 19.000 -0.050 0.000 0.800 211 A HN 0.450 nan 8.150 nan 0.000 0.453 212 M N 0.126 119.685 119.600 -0.069 0.000 2.290 212 M HA -0.094 4.386 4.480 -0.000 0.000 0.459 212 M C 0.357 176.459 176.300 -0.330 0.000 1.487 212 M CA 0.408 55.632 55.300 -0.126 0.000 0.793 212 M CB -1.099 31.467 32.600 -0.056 0.000 2.031 212 M HN 0.451 nan 8.290 nan 0.000 0.525 213 L N 2.280 123.271 121.223 -0.387 0.000 4.179 213 L HA -0.324 4.016 4.340 -0.000 0.000 0.418 213 L C -0.151 176.175 176.870 -0.908 0.000 1.168 213 L CA 0.470 54.968 54.840 -0.570 0.000 0.972 213 L CB -2.062 39.678 42.059 -0.530 0.000 2.005 213 L HN 0.666 nan 8.230 nan 0.000 0.935 214 D N -0.531 119.440 120.400 -0.715 0.000 2.339 214 D HA 0.233 4.873 4.640 -0.000 0.000 0.245 214 D C 0.234 176.279 176.300 -0.425 0.000 1.115 214 D CA -0.141 53.505 54.000 -0.591 0.000 0.917 214 D CB 0.473 41.104 40.800 -0.282 0.000 1.192 214 D HN -0.049 nan 8.370 nan 0.000 0.428 215 Y N 1.050 121.234 120.300 -0.193 0.000 2.610 215 Y HA -0.053 4.497 4.550 -0.000 0.000 0.332 215 Y C 1.900 177.712 175.900 -0.147 0.000 1.201 215 Y CA 0.037 58.041 58.100 -0.160 0.000 1.465 215 Y CB 0.249 38.658 38.460 -0.085 0.000 1.283 215 Y HN 0.465 nan 8.280 nan 0.000 0.563 216 E N 1.384 121.573 120.200 -0.019 0.000 2.219 216 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 216 E C -0.440 176.139 176.600 -0.034 0.000 0.998 216 E CA 0.924 57.285 56.400 -0.064 0.000 0.818 216 E CB 0.138 29.770 29.700 -0.112 0.000 0.741 216 E HN 0.557 nan 8.360 nan 0.000 0.477 217 L N -0.796 120.415 121.223 -0.021 0.000 2.445 217 L HA 0.333 4.673 4.340 -0.000 0.000 0.262 217 L C -1.479 175.426 176.870 0.058 0.000 0.974 217 L CA -0.648 54.186 54.840 -0.010 0.000 0.822 217 L CB 2.264 44.279 42.059 -0.074 0.000 1.339 217 L HN -0.025 nan 8.230 nan 0.000 0.409 218 H N 2.120 121.168 119.070 -0.037 0.000 2.809 218 H HA 0.481 5.037 4.556 -0.000 0.000 0.268 218 H C -0.936 174.360 175.328 -0.053 0.000 1.403 218 H CA 0.125 56.157 56.048 -0.027 0.000 1.564 218 H CB 0.639 30.446 29.762 0.075 0.000 1.834 218 H HN 0.693 nan 8.280 nan 0.000 0.613 219 S N 1.099 116.674 115.700 -0.209 0.000 2.666 219 S HA 0.159 4.629 4.470 -0.000 0.000 0.279 219 S C 1.063 175.407 174.600 -0.427 0.000 1.149 219 S CA -0.546 57.521 58.200 -0.221 0.000 1.020 219 S CB 1.040 64.159 63.200 -0.136 0.000 1.127 219 S HN 0.532 nan 8.310 nan 0.000 0.537 220 D N -0.338 119.765 120.400 -0.495 0.000 2.219 220 D HA 0.030 4.670 4.640 -0.000 0.000 0.205 220 D C 0.769 176.581 176.300 -0.814 0.000 0.970 220 D CA 1.378 54.910 54.000 -0.780 0.000 0.851 220 D CB -0.064 40.030 40.800 -1.175 0.000 0.943 220 D HN 0.490 nan 8.370 nan 0.000 0.488 221 F N -0.129 119.738 119.950 -0.138 0.000 2.362 221 F HA 0.100 4.627 4.527 -0.000 0.000 0.264 221 F C 0.774 176.492 175.800 -0.137 0.000 0.905 221 F CA -0.401 57.531 58.000 -0.113 0.000 1.142 221 F CB -0.628 38.333 39.000 -0.064 0.000 1.250 221 F HN -0.387 nan 8.300 nan 0.000 0.771 222 V N 1.707 121.669 119.914 0.080 0.000 2.521 222 V HA 0.457 4.577 4.120 -0.000 0.000 0.286 222 V C -0.183 175.822 176.094 -0.147 0.000 1.034 222 V CA -0.320 61.962 62.300 -0.030 0.000 1.045 222 V CB 0.011 31.826 31.823 -0.014 0.000 0.974 222 V HN 0.332 nan 8.190 nan 0.000 0.480 223 S N 2.158 117.731 115.700 -0.212 0.000 2.570 223 S HA 0.327 4.797 4.470 -0.000 0.000 0.270 223 S C 0.162 174.494 174.600 -0.447 0.000 1.149 223 S CA -0.422 57.600 58.200 -0.298 0.000 0.837 223 S CB 1.924 64.900 63.200 -0.372 0.000 1.124 223 S HN 0.995 nan 8.310 nan 0.000 0.465 224 S N 1.087 116.474 115.700 -0.522 0.000 3.456 224 S HA 0.436 4.906 4.470 -0.000 0.000 0.229 224 S C -0.134 173.685 174.600 -1.302 0.000 1.416 224 S CA -0.451 57.157 58.200 -0.987 0.000 1.197 224 S CB -1.545 61.323 63.200 -0.554 0.000 1.201 224 S HN 0.660 nan 8.310 nan 0.000 0.479 225 L N -1.898 118.694 121.223 -1.052 0.000 2.518 225 L HA 0.777 5.117 4.340 -0.000 0.000 0.257 225 L C -1.360 175.361 176.870 -0.248 0.000 0.980 225 L CA -1.135 53.336 54.840 -0.615 0.000 0.837 225 L CB 1.266 42.931 42.059 -0.656 0.000 1.410 225 L HN -0.024 nan 8.230 nan 0.000 0.410 226 I N 1.907 122.491 120.570 0.023 0.000 2.418 226 I HA 0.486 4.656 4.170 -0.000 0.000 0.287 226 I C -0.438 175.735 176.117 0.093 0.000 1.008 226 I CA -0.401 60.947 61.300 0.080 0.000 1.104 226 I CB 1.703 39.786 38.000 0.139 0.000 1.264 226 I HN 0.757 nan 8.210 nan 0.000 0.438 227 K N 6.141 126.576 120.400 0.059 0.000 2.206 227 K HA 0.567 4.887 4.320 -0.000 0.000 0.264 227 K C -0.315 176.389 176.600 0.172 0.000 0.967 227 K CA -0.759 55.587 56.287 0.099 0.000 0.844 227 K CB 2.213 34.737 32.500 0.040 0.000 1.099 227 K HN 0.443 nan 8.250 nan 0.000 0.441 228 I N 5.837 126.562 120.570 0.259 0.000 2.664 228 I HA -0.010 4.159 4.170 -0.000 0.000 0.284 228 I C -1.977 174.277 176.117 0.228 0.000 1.154 228 I CA -1.507 60.017 61.300 0.373 0.000 1.402 228 I CB 0.164 38.365 38.000 0.335 0.000 1.395 228 I HN 0.284 nan 8.210 nan 0.000 0.545 229 P HA 0.057 nan 4.420 nan 0.000 0.272 229 P C 0.576 177.936 177.300 0.099 0.000 1.223 229 P CA -0.322 62.838 63.100 0.100 0.000 0.784 229 P CB 0.743 32.473 31.700 0.051 0.000 0.923 230 S N 0.207 115.938 115.700 0.052 0.000 2.382 230 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 230 S C 1.345 175.966 174.600 0.035 0.000 1.027 230 S CA 1.487 59.709 58.200 0.037 0.000 0.991 230 S CB -1.079 62.129 63.200 0.012 0.000 0.823 230 S HN 0.341 nan 8.310 nan 0.000 0.469 231 D N 1.877 122.291 120.400 0.023 0.000 2.116 231 D HA -0.070 4.570 4.640 -0.000 0.000 0.193 231 D C 2.061 178.361 176.300 -0.001 0.000 0.998 231 D CA 1.882 55.886 54.000 0.007 0.000 0.836 231 D CB -0.773 40.023 40.800 -0.006 0.000 0.951 231 D HN 0.478 nan 8.370 nan 0.000 0.449 232 T N 0.089 114.647 114.554 0.007 0.000 2.857 232 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 232 T C 2.067 176.747 174.700 -0.034 0.000 1.048 232 T CA 0.287 62.349 62.100 -0.063 0.000 1.139 232 T CB -0.170 68.658 68.868 -0.066 0.000 0.874 232 T HN 0.100 nan 8.240 nan 0.000 0.455 233 L N 0.453 121.735 121.223 0.097 0.000 2.275 233 L HA 0.015 4.355 4.340 -0.000 0.000 0.215 233 L C 2.668 179.589 176.870 0.084 0.000 1.119 233 L CA 0.601 55.530 54.840 0.149 0.000 0.790 233 L CB -0.363 41.781 42.059 0.143 0.000 0.919 233 L HN 0.257 nan 8.230 nan 0.000 0.443 234 A N -0.462 122.386 122.820 0.046 0.000 1.855 234 A HA -0.140 4.180 4.320 -0.000 0.000 0.213 234 A C 2.102 179.705 177.584 0.031 0.000 1.195 234 A CA 0.946 53.004 52.037 0.036 0.000 0.610 234 A CB -0.591 18.422 19.000 0.021 0.000 0.837 234 A HN 0.317 nan 8.150 nan 0.000 0.444 235 L N -0.332 120.893 121.223 0.004 0.000 2.362 235 L HA 0.034 4.374 4.340 -0.000 0.000 0.219 235 L C -0.496 176.369 176.870 -0.008 0.000 1.134 235 L CA 0.672 55.507 54.840 -0.010 0.000 0.807 235 L CB 0.255 42.292 42.059 -0.036 0.000 0.927 235 L HN 0.164 nan 8.230 nan 0.000 0.447 236 V N -1.458 118.454 119.914 -0.004 0.000 2.577 236 V HA 0.249 4.369 4.120 -0.000 0.000 0.303 236 V C 0.876 177.061 176.094 0.152 0.000 1.042 236 V CA -0.546 61.782 62.300 0.047 0.000 0.872 236 V CB 1.569 33.377 31.823 -0.025 0.000 0.998 236 V HN 0.071 nan 8.190 nan 0.000 0.423 237 S N 2.455 118.260 115.700 0.176 0.000 2.523 237 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 237 S C 0.838 175.661 174.600 0.371 0.000 1.062 237 S CA 1.750 60.101 58.200 0.252 0.000 1.207 237 S CB -0.307 63.025 63.200 0.221 0.000 1.151 237 S HN 0.890 nan 8.310 nan 0.000 0.408 238 H N 0.246 119.415 119.070 0.165 0.000 2.553 238 H HA 0.392 4.948 4.556 -0.000 0.000 0.222 238 H C -0.811 174.639 175.328 0.203 0.000 1.779 238 H CA -1.058 55.089 56.048 0.164 0.000 1.241 238 H CB -0.852 29.002 29.762 0.152 0.000 1.647 238 H HN 0.174 nan 8.280 nan 0.000 0.523 239 F N 1.429 121.446 119.950 0.112 0.000 2.467 239 F HA 0.315 4.842 4.527 -0.000 0.000 0.362 239 F C -0.075 175.716 175.800 -0.014 0.000 1.090 239 F CA -0.005 58.026 58.000 0.052 0.000 1.202 239 F CB 0.326 39.347 39.000 0.035 0.000 1.113 239 F HN 0.269 nan 8.300 nan 0.000 0.541 240 D N 4.573 124.455 120.400 -0.864 0.000 2.677 240 D HA 0.521 5.161 4.640 -0.000 0.000 0.298 240 D C -1.381 174.287 176.300 -1.053 0.000 1.250 240 D CA -0.320 53.138 54.000 -0.904 0.000 0.888 240 D CB 1.909 42.312 40.800 -0.662 0.000 1.397 240 D HN 0.428 nan 8.370 nan 0.000 0.461 241 I N 1.678 121.759 120.570 -0.816 0.000 2.497 241 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 241 I C -0.843 175.038 176.117 -0.394 0.000 1.060 241 I CA -0.635 60.310 61.300 -0.592 0.000 1.071 241 I CB 1.214 38.874 38.000 -0.567 0.000 1.216 241 I HN 0.126 nan 8.210 nan 0.000 0.442 242 F N 5.319 125.231 119.950 -0.063 0.000 2.404 242 F HA 0.413 4.940 4.527 -0.000 0.000 0.345 242 F C -0.201 175.624 175.800 0.041 0.000 1.110 242 F CA -0.438 57.634 58.000 0.120 0.000 1.130 242 F CB 0.535 39.655 39.000 0.200 0.000 1.129 242 F HN 0.260 nan 8.300 nan 0.000 0.500 243 Y N 3.803 124.268 120.300 0.276 0.000 2.331 243 Y HA 0.320 4.869 4.550 -0.000 0.000 0.338 243 Y C 0.778 176.864 175.900 0.311 0.000 0.992 243 Y CA -0.822 57.439 58.100 0.268 0.000 1.121 243 Y CB 1.062 39.681 38.460 0.264 0.000 1.184 243 Y HN 0.434 nan 8.280 nan 0.000 0.469 244 I N 2.052 122.826 120.570 0.341 0.000 3.445 244 I HA 0.076 4.246 4.170 -0.000 0.000 0.288 244 I C -0.406 175.767 176.117 0.093 0.000 1.198 244 I CA 0.353 61.803 61.300 0.251 0.000 1.417 244 I CB -0.223 37.877 38.000 0.167 0.000 1.205 244 I HN 0.503 nan 8.210 nan 0.000 0.448 245 Y N 0.267 120.453 120.300 -0.190 0.000 2.592 245 Y HA 0.636 5.186 4.550 -0.000 0.000 0.334 245 Y C -0.525 175.203 175.900 -0.287 0.000 1.136 245 Y CA -0.905 56.798 58.100 -0.661 0.000 1.042 245 Y CB 1.976 40.240 38.460 -0.327 0.000 1.325 245 Y HN -0.018 nan 8.280 nan 0.000 0.457 246 G N 2.459 110.747 108.800 -0.853 0.000 2.696 246 G HA2 0.661 4.620 3.960 -0.000 0.000 0.295 246 G HA3 0.661 4.620 3.960 -0.000 0.000 0.295 246 G C -2.196 172.425 174.900 -0.465 0.000 1.398 246 G CA -0.721 44.001 45.100 -0.630 0.000 0.920 246 G HN 0.817 nan 8.290 nan 0.000 0.492 247 F N -0.799 118.894 119.950 -0.428 0.000 2.654 247 F HA 0.830 5.357 4.527 -0.000 0.000 0.308 247 F C -0.182 175.580 175.800 -0.065 0.000 1.108 247 F CA -1.741 56.145 58.000 -0.189 0.000 0.957 247 F CB 1.451 40.431 39.000 -0.034 0.000 1.309 247 F HN 0.779 nan 8.300 nan 0.000 0.446 248 A N 1.724 124.635 122.820 0.153 0.000 2.320 248 A HA 0.658 4.978 4.320 -0.000 0.000 0.287 248 A C -0.319 177.436 177.584 0.286 0.000 1.181 248 A CA -0.226 51.886 52.037 0.126 0.000 0.831 248 A CB 0.479 19.531 19.000 0.088 0.000 1.102 248 A HN 1.016 nan 8.150 nan 0.000 0.513 249 S N 2.341 118.242 115.700 0.334 0.000 2.720 249 S HA 0.589 5.058 4.470 -0.000 0.000 0.278 249 S C 0.609 175.404 174.600 0.324 0.000 1.172 249 S CA 0.660 59.082 58.200 0.371 0.000 1.019 249 S CB 0.232 63.723 63.200 0.485 0.000 1.049 249 S HN 2.651 nan 8.310 nan 0.000 0.483 250 G N 4.414 113.332 108.800 0.196 0.000 2.651 250 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.315 250 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.315 250 G C 0.938 175.858 174.900 0.033 0.000 1.258 250 G CA 0.436 45.618 45.100 0.136 0.000 1.002 250 G HN 1.764 nan 8.290 nan 0.000 0.551 251 G N -0.634 108.115 108.800 -0.085 0.000 3.088 251 G HA2 0.473 4.433 3.960 -0.000 0.000 0.212 251 G HA3 0.473 4.433 3.960 -0.000 0.000 0.212 251 G C 0.086 174.553 174.900 -0.721 0.000 1.173 251 G CA 0.514 45.351 45.100 -0.437 0.000 0.779 251 G HN 0.427 nan 8.290 nan 0.000 0.540 252 F N -1.148 118.728 119.950 -0.123 0.000 2.620 252 F HA 0.627 5.154 4.527 -0.000 0.000 0.320 252 F C -0.310 175.206 175.800 -0.474 0.000 1.069 252 F CA -1.237 56.542 58.000 -0.368 0.000 0.953 252 F CB 2.200 40.844 39.000 -0.593 0.000 1.322 252 F HN -0.203 nan 8.300 nan 0.000 0.479 253 V N 1.119 120.727 119.914 -0.511 0.000 2.555 253 V HA 0.494 4.614 4.120 -0.000 0.000 0.302 253 V C -1.379 174.209 176.094 -0.844 0.000 1.038 253 V CA -1.179 60.744 62.300 -0.629 0.000 0.887 253 V CB 1.416 32.769 31.823 -0.784 0.000 0.991 253 V HN 0.587 nan 8.190 nan 0.000 0.434 254 Y N 3.154 122.915 120.300 -0.899 0.000 2.409 254 Y HA 0.757 5.307 4.550 -0.000 0.000 0.343 254 Y C -0.657 174.670 175.900 -0.955 0.000 0.973 254 Y CA -0.716 56.823 58.100 -0.935 0.000 1.064 254 Y CB 2.089 39.661 38.460 -1.480 0.000 1.207 254 Y HN 0.527 nan 8.280 nan 0.000 0.452 255 F N 3.001 122.847 119.950 -0.173 0.000 2.529 255 F HA 0.555 5.082 4.527 -0.000 0.000 0.320 255 F C -0.805 174.975 175.800 -0.033 0.000 1.118 255 F CA -0.899 57.100 58.000 -0.003 0.000 0.915 255 F CB 1.556 40.669 39.000 0.189 0.000 1.161 255 F HN 0.192 nan 8.300 nan 0.000 0.445 256 L N 3.465 124.792 121.223 0.174 0.000 2.276 256 L HA 0.547 4.887 4.340 -0.000 0.000 0.286 256 L C -0.156 176.751 176.870 0.061 0.000 1.024 256 L CA -0.517 54.351 54.840 0.046 0.000 0.826 256 L CB 1.248 43.370 42.059 0.106 0.000 1.211 256 L HN 0.677 nan 8.230 nan 0.000 0.422 257 T N 0.452 114.982 114.554 -0.039 0.000 2.841 257 T HA 0.696 5.046 4.350 -0.000 0.000 0.283 257 T C -0.494 174.162 174.700 -0.073 0.000 1.000 257 T CA -0.692 61.294 62.100 -0.191 0.000 0.977 257 T CB 1.995 70.569 68.868 -0.491 0.000 0.979 257 T HN 0.115 nan 8.240 nan 0.000 0.446 258 V N 5.057 124.929 119.914 -0.070 0.000 2.459 258 V HA 0.658 4.778 4.120 -0.000 0.000 0.295 258 V C -0.151 175.976 176.094 0.055 0.000 1.029 258 V CA -0.628 61.627 62.300 -0.075 0.000 0.874 258 V CB 1.158 32.733 31.823 -0.413 0.000 0.985 258 V HN 1.088 nan 8.190 nan 0.000 0.438 259 Q N 4.381 124.221 119.800 0.067 0.000 2.462 259 Q HA 0.608 4.948 4.340 -0.000 0.000 0.285 259 Q C -3.165 172.856 176.000 0.036 0.000 1.035 259 Q CA -2.247 53.593 55.803 0.061 0.000 0.799 259 Q CB 2.614 31.259 28.738 -0.155 0.000 1.452 259 Q HN 0.346 nan 8.270 nan 0.000 0.404 260 P HA 0.040 nan 4.420 nan 0.000 0.270 260 P C -1.081 176.260 177.300 0.067 0.000 1.223 260 P CA 0.114 63.051 63.100 -0.271 0.000 0.785 260 P CB 0.526 32.207 31.700 -0.032 0.000 0.923 261 E N 0.284 120.494 120.200 0.016 0.000 2.183 261 E HA 0.265 4.614 4.350 -0.000 0.000 0.271 261 E C -0.625 175.986 176.600 0.019 0.000 0.919 261 E CA -0.637 55.802 56.400 0.065 0.000 0.781 261 E CB 0.678 30.430 29.700 0.087 0.000 1.140 261 E HN 0.322 nan 8.360 nan 0.000 0.402 262 T N 4.952 119.495 114.554 -0.018 0.000 2.934 262 T HA 0.077 4.427 4.350 -0.000 0.000 0.306 262 T C -1.920 172.768 174.700 -0.019 0.000 1.042 262 T CA -0.937 61.133 62.100 -0.050 0.000 1.145 262 T CB 0.087 68.931 68.868 -0.039 0.000 0.982 262 T HN 0.417 nan 8.240 nan 0.000 0.544 274 L N 1.796 122.981 121.223 -0.064 0.000 2.485 274 L HA 0.255 4.595 4.340 -0.000 0.000 0.279 274 L C -0.319 176.558 176.870 0.013 0.000 1.124 274 L CA 0.087 54.974 54.840 0.077 0.000 0.888 274 L CB -0.277 41.962 42.059 0.299 0.000 1.217 274 L HN 0.179 nan 8.230 nan 0.000 0.464 275 F N 3.419 123.435 119.950 0.110 0.000 2.361 275 F HA 0.361 4.888 4.527 -0.000 0.000 0.364 275 F C 0.087 175.896 175.800 0.015 0.000 1.120 275 F CA -0.275 57.791 58.000 0.111 0.000 1.102 275 F CB 0.492 39.529 39.000 0.062 0.000 1.183 275 F HN 0.224 nan 8.300 nan 0.000 0.476 276 Y N 0.905 121.345 120.300 0.232 0.000 2.419 276 Y HA 0.530 5.080 4.550 -0.000 0.000 0.328 276 Y C 0.486 176.473 175.900 0.145 0.000 1.162 276 Y CA -0.728 57.460 58.100 0.147 0.000 1.174 276 Y CB 2.207 40.692 38.460 0.041 0.000 1.228 276 Y HN 0.372 nan 8.280 nan 0.000 0.473 277 T N 1.749 116.440 114.554 0.228 0.000 3.031 277 T HA 0.389 4.739 4.350 -0.000 0.000 0.305 277 T C -1.085 173.716 174.700 0.168 0.000 0.985 277 T CA -0.672 61.541 62.100 0.189 0.000 1.008 277 T CB 0.208 69.175 68.868 0.165 0.000 1.005 277 T HN 0.590 nan 8.240 nan 0.000 0.444 278 S N 4.811 120.638 115.700 0.212 0.000 2.565 278 S HA 0.623 5.093 4.470 -0.000 0.000 0.276 278 S C 0.107 174.972 174.600 0.442 0.000 1.326 278 S CA -0.739 57.639 58.200 0.296 0.000 1.045 278 S CB 0.594 64.001 63.200 0.345 0.000 0.918 278 S HN 0.684 nan 8.310 nan 0.000 0.505 279 R N 1.071 121.785 120.500 0.358 0.000 2.836 279 R HA 0.572 4.912 4.340 -0.000 0.000 0.269 279 R C -1.103 175.070 176.300 -0.212 0.000 1.010 279 R CA -0.801 55.395 56.100 0.160 0.000 0.930 279 R CB 1.465 31.822 30.300 0.095 0.000 1.218 279 R HN 0.490 nan 8.270 nan 0.000 0.473 280 I N 1.708 122.094 120.570 -0.306 0.000 2.354 280 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 280 I C -0.489 175.519 176.117 -0.182 0.000 0.989 280 I CA -0.985 60.094 61.300 -0.368 0.000 1.188 280 I CB 1.949 39.712 38.000 -0.395 0.000 1.342 280 I HN 0.129 nan 8.210 nan 0.000 0.457 281 V N 7.042 126.872 119.914 -0.140 0.000 2.384 281 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 281 V C -0.056 175.888 176.094 -0.249 0.000 1.020 281 V CA -0.652 61.526 62.300 -0.203 0.000 0.850 281 V CB 1.751 33.544 31.823 -0.050 0.000 0.987 281 V HN 0.678 nan 8.190 nan 0.000 0.436 282 R N 4.580 124.836 120.500 -0.405 0.000 2.480 282 R HA 0.794 5.134 4.340 -0.000 0.000 0.306 282 R C -1.853 174.202 176.300 -0.409 0.000 0.958 282 R CA -0.609 55.189 56.100 -0.503 0.000 0.861 282 R CB 1.546 31.500 30.300 -0.578 0.000 1.171 282 R HN 0.684 nan 8.270 nan 0.000 0.445 283 L N 3.210 124.212 121.223 -0.369 0.000 2.370 283 L HA 0.503 4.843 4.340 -0.000 0.000 0.266 283 L C -0.444 176.349 176.870 -0.128 0.000 1.002 283 L CA -0.940 53.753 54.840 -0.244 0.000 0.818 283 L CB 2.258 44.098 42.059 -0.364 0.000 1.325 283 L HN 0.698 nan 8.230 nan 0.000 0.418 284 c N 1.397 119.981 118.600 -0.027 0.000 2.676 284 c HA 0.069 4.639 4.570 -0.000 0.000 0.416 284 c C 1.962 175.958 174.090 -0.157 0.000 1.299 284 c CA -0.437 55.799 56.329 -0.155 0.000 2.048 284 c CB 0.307 42.732 42.510 -0.142 0.000 2.713 284 c HN 0.842 nan 8.230 nan 0.000 0.624 285 K N 0.946 121.220 120.400 -0.211 0.000 2.032 285 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 285 K C 0.421 177.109 176.600 0.147 0.000 1.048 285 K CA 1.567 57.835 56.287 -0.030 0.000 0.927 285 K CB -0.077 32.390 32.500 -0.055 0.000 0.712 285 K HN 0.655 nan 8.250 nan 0.000 0.441 286 D N 1.166 121.583 120.400 0.028 0.000 2.638 286 D HA 0.054 4.694 4.640 -0.000 0.000 0.245 286 D C -1.605 174.729 176.300 0.056 0.000 1.176 286 D CA -0.156 53.878 54.000 0.055 0.000 0.996 286 D CB 0.235 41.036 40.800 0.003 0.000 1.012 286 D HN -0.003 nan 8.370 nan 0.000 0.515 287 D N 1.799 122.288 120.400 0.149 0.000 2.478 287 D HA 0.242 4.882 4.640 -0.000 0.000 0.240 287 D C -2.235 174.224 176.300 0.265 0.000 1.364 287 D CA -1.781 52.309 54.000 0.150 0.000 0.987 287 D CB 1.898 42.768 40.800 0.116 0.000 1.328 287 D HN 0.047 nan 8.370 nan 0.000 0.584 288 P HA 0.118 nan 4.420 nan 0.000 0.224 288 P C 0.879 178.188 177.300 0.015 0.000 1.159 288 P CA 0.431 63.581 63.100 0.083 0.000 0.824 288 P CB 0.424 32.124 31.700 0.001 0.000 0.833 289 K N -1.472 118.900 120.400 -0.045 0.000 2.439 289 K HA 0.010 4.330 4.320 -0.000 0.000 0.197 289 K C -0.195 176.350 176.600 -0.092 0.000 1.041 289 K CA 0.268 56.406 56.287 -0.248 0.000 0.970 289 K CB -0.426 31.716 32.500 -0.596 0.000 0.773 289 K HN -0.092 nan 8.250 nan 0.000 0.479 290 F N -0.006 119.884 119.950 -0.101 0.000 3.057 290 F HA -0.268 4.259 4.527 -0.000 0.000 0.287 290 F C 0.796 176.685 175.800 0.148 0.000 0.834 290 F CA 0.570 58.602 58.000 0.053 0.000 1.147 290 F CB -2.316 36.710 39.000 0.042 0.000 1.245 290 F HN 0.294 nan 8.300 nan 0.000 0.509 291 H N -1.072 118.121 119.070 0.206 0.000 2.495 291 H HA 0.039 4.595 4.556 -0.000 0.000 0.287 291 H C 2.246 177.644 175.328 0.116 0.000 1.033 291 H CA 1.312 57.439 56.048 0.132 0.000 1.307 291 H CB -0.134 29.676 29.762 0.081 0.000 1.401 291 H HN 0.438 nan 8.280 nan 0.000 0.555 292 S N -0.458 115.364 115.700 0.202 0.000 2.489 292 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 292 S C 0.872 175.545 174.600 0.121 0.000 0.995 292 S CA -0.377 57.893 58.200 0.116 0.000 0.934 292 S CB -0.802 62.434 63.200 0.060 0.000 0.771 292 S HN 0.315 nan 8.310 nan 0.000 0.522 293 Y N 1.880 122.178 120.300 -0.003 0.000 2.944 293 Y HA 0.215 4.765 4.550 -0.000 0.000 0.340 293 Y C -0.095 175.813 175.900 0.013 0.000 1.275 293 Y CA 0.807 58.886 58.100 -0.035 0.000 1.590 293 Y CB 0.235 38.685 38.460 -0.017 0.000 1.218 293 Y HN 0.155 nan 8.280 nan 0.000 0.576 294 V N 6.017 125.712 119.914 -0.365 0.000 2.817 294 V HA 0.509 4.629 4.120 -0.000 0.000 0.303 294 V C -1.434 174.453 176.094 -0.345 0.000 1.151 294 V CA -0.379 61.794 62.300 -0.212 0.000 0.929 294 V CB 2.342 34.118 31.823 -0.078 0.000 1.030 294 V HN 0.728 nan 8.190 nan 0.000 0.427 295 S N 6.662 122.266 115.700 -0.159 0.000 2.647 295 S HA 0.818 5.288 4.470 -0.000 0.000 0.300 295 S C -1.242 173.369 174.600 0.020 0.000 1.129 295 S CA -0.523 57.624 58.200 -0.088 0.000 1.029 295 S CB 0.867 64.102 63.200 0.059 0.000 1.007 295 S HN 0.683 nan 8.310 nan 0.000 0.484 296 L N 5.128 126.354 121.223 0.005 0.000 2.381 296 L HA 0.594 4.934 4.340 -0.000 0.000 0.268 296 L C -2.510 174.420 176.870 0.099 0.000 0.997 296 L CA -2.613 52.259 54.840 0.054 0.000 0.818 296 L CB 2.194 44.276 42.059 0.038 0.000 1.310 296 L HN 0.404 nan 8.230 nan 0.000 0.416 297 P HA 0.225 nan 4.420 nan 0.000 0.272 297 P C -1.257 176.255 177.300 0.352 0.000 1.223 297 P CA 0.007 63.253 63.100 0.243 0.000 0.784 297 P CB 0.433 32.246 31.700 0.187 0.000 0.923 298 F N -0.924 119.094 119.950 0.114 0.000 2.613 298 F HA 0.903 5.430 4.527 -0.000 0.000 0.310 298 F C -0.259 175.591 175.800 0.083 0.000 1.085 298 F CA -0.776 57.306 58.000 0.136 0.000 0.945 298 F CB 1.830 40.885 39.000 0.093 0.000 1.298 298 F HN 0.589 nan 8.300 nan 0.000 0.455 299 G N -0.096 108.590 108.800 -0.191 0.000 2.342 299 G HA2 0.507 4.467 3.960 -0.000 0.000 0.297 299 G HA3 0.507 4.467 3.960 -0.000 0.000 0.297 299 G C -2.053 172.600 174.900 -0.411 0.000 1.313 299 G CA -0.407 44.220 45.100 -0.789 0.000 0.830 299 G HN 1.605 nan 8.290 nan 0.000 0.506 300 c N -1.002 117.311 118.600 -0.478 0.000 2.985 300 c HA 0.987 5.557 4.570 -0.000 0.000 0.314 300 c C -0.039 174.040 174.090 -0.018 0.000 1.215 300 c CA -0.174 56.018 56.329 -0.228 0.000 1.414 300 c CB 1.076 43.434 42.510 -0.254 0.000 1.842 300 c HN 1.655 nan 8.230 nan 0.000 0.477 301 T N -0.168 114.399 114.554 0.020 0.000 2.893 301 T HA 0.812 5.162 4.350 -0.000 0.000 0.293 301 T C -0.968 173.794 174.700 0.104 0.000 1.027 301 T CA -0.441 61.723 62.100 0.107 0.000 0.988 301 T CB 1.752 70.624 68.868 0.006 0.000 1.043 301 T HN 1.289 nan 8.240 nan 0.000 0.461 302 R N 2.181 122.792 120.500 0.186 0.000 2.604 302 R HA 0.577 4.917 4.340 -0.000 0.000 0.281 302 R C -0.382 175.972 176.300 0.090 0.000 1.020 302 R CA -0.023 56.144 56.100 0.112 0.000 0.899 302 R CB 1.447 31.805 30.300 0.096 0.000 1.205 302 R HN 1.729 nan 8.270 nan 0.000 0.450 303 A N 2.620 125.462 122.820 0.037 0.000 2.519 303 A HA -0.126 4.194 4.320 -0.000 0.000 0.297 303 A C 1.163 178.746 177.584 -0.002 0.000 1.472 303 A CA 1.665 53.712 52.037 0.016 0.000 0.739 303 A CB -2.157 16.856 19.000 0.021 0.000 1.096 303 A HN 2.113 nan 8.150 nan 0.000 0.414 304 G N -2.673 106.119 108.800 -0.013 0.000 2.480 304 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 304 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 304 G C 0.769 175.628 174.900 -0.067 0.000 1.073 304 G CA 0.748 45.829 45.100 -0.032 0.000 0.643 304 G HN 2.018 nan 8.290 nan 0.000 0.525 305 V N 2.325 122.182 119.914 -0.095 0.000 2.637 305 V HA 0.483 4.603 4.120 -0.000 0.000 0.296 305 V C 0.499 176.385 176.094 -0.346 0.000 1.046 305 V CA 0.615 62.775 62.300 -0.235 0.000 1.066 305 V CB 1.215 32.869 31.823 -0.282 0.000 0.968 305 V HN 0.721 nan 8.190 nan 0.000 0.483 306 E N 3.773 123.719 120.200 -0.423 0.000 2.212 306 E HA 0.631 4.981 4.350 -0.000 0.000 0.268 306 E C -1.883 174.425 176.600 -0.487 0.000 0.902 306 E CA -0.866 55.329 56.400 -0.340 0.000 0.779 306 E CB 1.546 31.164 29.700 -0.138 0.000 1.172 306 E HN 0.574 nan 8.360 nan 0.000 0.409 307 Y N 1.279 121.547 120.300 -0.054 0.000 2.326 307 Y HA 0.436 4.986 4.550 -0.000 0.000 0.331 307 Y C 0.390 176.241 175.900 -0.082 0.000 0.962 307 Y CA -0.922 57.172 58.100 -0.010 0.000 1.167 307 Y CB 1.757 40.236 38.460 0.033 0.000 1.148 307 Y HN 0.462 nan 8.280 nan 0.000 0.463 308 R N 3.197 123.819 120.500 0.202 0.000 2.569 308 R HA 0.308 4.648 4.340 -0.000 0.000 0.422 308 R C -1.103 175.415 176.300 0.363 0.000 0.980 308 R CA -0.159 56.062 56.100 0.201 0.000 1.164 308 R CB 0.710 31.073 30.300 0.104 0.000 1.520 308 R HN 0.602 nan 8.270 nan 0.000 0.567 309 L N 2.412 123.882 121.223 0.411 0.000 2.337 309 L HA 0.339 4.679 4.340 -0.000 0.000 0.269 309 L C -0.311 176.512 176.870 -0.078 0.000 1.018 309 L CA -0.954 53.975 54.840 0.147 0.000 0.876 309 L CB 1.461 43.586 42.059 0.110 0.000 1.236 309 L HN -0.026 nan 8.230 nan 0.000 0.436 310 L N 3.563 124.546 121.223 -0.399 0.000 2.534 310 L HA 0.014 4.354 4.340 -0.000 0.000 0.271 310 L C 1.018 177.698 176.870 -0.317 0.000 1.178 310 L CA 1.015 55.364 54.840 -0.818 0.000 0.907 310 L CB 0.345 42.074 42.059 -0.551 0.000 1.164 310 L HN 0.608 nan 8.230 nan 0.000 0.482 311 Q N 4.781 124.413 119.800 -0.279 0.000 2.378 311 Q HA 0.489 4.829 4.340 -0.000 0.000 0.229 311 Q C 0.037 176.005 176.000 -0.053 0.000 0.882 311 Q CA 0.710 56.475 55.803 -0.063 0.000 0.936 311 Q CB 0.848 29.570 28.738 -0.027 0.000 1.092 311 Q HN 0.804 nan 8.270 nan 0.000 0.535 312 A N -0.193 122.554 122.820 -0.121 0.000 2.586 312 A HA 0.818 5.138 4.320 -0.000 0.000 0.291 312 A C -1.712 175.797 177.584 -0.124 0.000 1.062 312 A CA 0.022 52.016 52.037 -0.072 0.000 0.666 312 A CB 1.026 20.006 19.000 -0.033 0.000 1.281 312 A HN 0.092 nan 8.150 nan 0.000 0.421 313 A N -0.530 122.182 122.820 -0.181 0.000 2.599 313 A HA 0.887 5.207 4.320 -0.000 0.000 0.290 313 A C -1.673 175.521 177.584 -0.649 0.000 1.101 313 A CA -0.267 51.582 52.037 -0.315 0.000 0.674 313 A CB 1.196 20.024 19.000 -0.288 0.000 1.277 313 A HN 2.298 nan 8.150 nan 0.000 0.419 314 Y N -0.053 119.804 120.300 -0.738 0.000 2.264 314 Y HA 0.464 5.014 4.550 -0.000 0.000 0.315 314 Y C -1.778 174.008 175.900 -0.190 0.000 1.262 314 Y CA -0.493 57.260 58.100 -0.578 0.000 1.176 314 Y CB 0.818 39.162 38.460 -0.193 0.000 1.283 314 Y HN 0.930 nan 8.280 nan 0.000 0.405 315 L N 5.583 126.505 121.223 -0.503 0.000 2.371 315 L HA 0.904 5.244 4.340 -0.000 0.000 0.272 315 L C -0.459 176.321 176.870 -0.151 0.000 1.124 315 L CA 0.669 55.310 54.840 -0.332 0.000 0.816 315 L CB 0.886 42.675 42.059 -0.450 0.000 1.129 315 L HN 0.793 nan 8.230 nan 0.000 0.448 316 A N 3.114 126.027 122.820 0.156 0.000 2.540 316 A HA 0.610 4.930 4.320 -0.000 0.000 0.291 316 A C -1.315 176.442 177.584 0.289 0.000 1.083 316 A CA -0.939 51.276 52.037 0.297 0.000 0.650 316 A CB 0.863 20.161 19.000 0.497 0.000 1.292 316 A HN 0.411 nan 8.150 nan 0.000 0.435 317 K N 0.832 121.380 120.400 0.247 0.000 2.276 317 K HA 0.444 4.764 4.320 -0.000 0.000 0.259 317 K C -2.445 174.314 176.600 0.264 0.000 1.001 317 K CA -1.649 54.755 56.287 0.195 0.000 0.927 317 K CB -0.005 32.578 32.500 0.138 0.000 0.969 317 K HN 0.559 nan 8.250 nan 0.000 0.490 318 P HA 0.160 nan 4.420 nan 0.000 0.282 318 P C 0.088 177.490 177.300 0.170 0.000 1.259 318 P CA -0.522 62.720 63.100 0.236 0.000 0.826 318 P CB 0.669 32.477 31.700 0.180 0.000 1.064 319 G N 0.790 109.694 108.800 0.173 0.000 2.716 319 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.251 319 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.251 319 G C 0.889 175.782 174.900 -0.012 0.000 1.224 319 G CA 0.056 45.190 45.100 0.055 0.000 0.891 319 G HN 0.518 nan 8.290 nan 0.000 0.561 320 E N 0.244 120.385 120.200 -0.098 0.000 2.046 320 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 320 E C 2.701 179.225 176.600 -0.127 0.000 0.982 320 E CA 1.699 58.022 56.400 -0.127 0.000 0.800 320 E CB -0.686 28.889 29.700 -0.209 0.000 0.756 320 E HN 0.437 nan 8.360 nan 0.000 0.449 321 A N 0.674 123.400 122.820 -0.156 0.000 1.865 321 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 321 A C 2.181 179.684 177.584 -0.136 0.000 1.191 321 A CA 1.711 53.666 52.037 -0.137 0.000 0.623 321 A CB -0.870 18.058 19.000 -0.120 0.000 0.826 321 A HN 0.360 nan 8.150 nan 0.000 0.444 322 L N -0.680 120.485 121.223 -0.097 0.000 2.201 322 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 322 L C 2.784 179.583 176.870 -0.118 0.000 1.105 322 L CA 1.570 56.326 54.840 -0.141 0.000 0.775 322 L CB -1.007 41.092 42.059 0.066 0.000 0.913 322 L HN 0.415 nan 8.230 nan 0.000 0.440 323 A N -1.375 121.431 122.820 -0.023 0.000 1.898 323 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 323 A C 2.153 179.723 177.584 -0.023 0.000 1.181 323 A CA 1.302 53.355 52.037 0.027 0.000 0.620 323 A CB -0.355 18.655 19.000 0.018 0.000 0.819 323 A HN 0.526 nan 8.150 nan 0.000 0.442 324 Q N -0.523 119.230 119.800 -0.078 0.000 2.167 324 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 324 Q C 2.337 178.257 176.000 -0.133 0.000 0.970 324 Q CA 1.181 56.932 55.803 -0.087 0.000 0.855 324 Q CB -0.370 28.313 28.738 -0.092 0.000 0.911 324 Q HN 0.686 nan 8.270 nan 0.000 0.438 325 A N 0.267 122.932 122.820 -0.259 0.000 1.898 325 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 325 A C 1.335 178.682 177.584 -0.396 0.000 1.181 325 A CA 1.163 52.943 52.037 -0.430 0.000 0.620 325 A CB -0.316 18.238 19.000 -0.742 0.000 0.819 325 A HN 0.326 nan 8.150 nan 0.000 0.442 326 F N -1.195 118.733 119.950 -0.036 0.000 2.695 326 F HA 0.240 4.767 4.527 -0.000 0.000 0.303 326 F C 0.606 176.391 175.800 -0.024 0.000 1.091 326 F CA -0.297 57.681 58.000 -0.036 0.000 1.300 326 F CB -0.366 38.607 39.000 -0.045 0.000 1.071 326 F HN 0.198 nan 8.300 nan 0.000 0.578 327 N N 0.897 119.661 118.700 0.106 0.000 2.747 327 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 327 N C -0.331 175.225 175.510 0.078 0.000 1.107 327 N CA 1.037 54.127 53.050 0.067 0.000 0.707 327 N CB -1.784 36.733 38.487 0.051 0.000 1.054 327 N HN 0.500 nan 8.380 nan 0.000 0.555 328 I N -4.166 116.467 120.570 0.105 0.000 2.676 328 I HA 0.568 4.738 4.170 -0.000 0.000 0.309 328 I C 1.133 177.286 176.117 0.060 0.000 0.990 328 I CA -0.918 60.432 61.300 0.083 0.000 1.168 328 I CB 1.738 39.795 38.000 0.096 0.000 1.343 328 I HN -0.016 nan 8.210 nan 0.000 0.482 329 S N 1.507 117.236 115.700 0.047 0.000 2.606 329 S HA 0.107 4.577 4.470 -0.000 0.000 0.257 329 S C 1.125 175.750 174.600 0.041 0.000 1.327 329 S CA -0.030 58.192 58.200 0.036 0.000 0.984 329 S CB 0.612 63.831 63.200 0.033 0.000 0.941 329 S HN 0.788 nan 8.310 nan 0.000 0.576 330 S N 1.235 116.953 115.700 0.030 0.000 2.650 330 S HA 0.075 4.545 4.470 -0.000 0.000 0.219 330 S C 0.748 175.372 174.600 0.041 0.000 0.960 330 S CA -0.158 58.062 58.200 0.033 0.000 0.925 330 S CB -0.184 63.024 63.200 0.013 0.000 0.775 330 S HN 0.651 nan 8.310 nan 0.000 0.525 331 D N 2.258 122.682 120.400 0.040 0.000 2.107 331 D HA 0.010 4.650 4.640 -0.000 0.000 0.204 331 D C 0.717 177.048 176.300 0.052 0.000 0.978 331 D CA 0.811 54.837 54.000 0.044 0.000 0.852 331 D CB -0.288 40.536 40.800 0.040 0.000 1.008 331 D HN 0.541 nan 8.370 nan 0.000 0.458 332 E N 1.607 121.838 120.200 0.050 0.000 2.438 332 E HA 0.026 4.376 4.350 -0.000 0.000 0.261 332 E C -0.297 176.326 176.600 0.038 0.000 1.103 332 E CA 0.040 56.468 56.400 0.046 0.000 0.959 332 E CB 0.497 30.221 29.700 0.041 0.000 0.958 332 E HN 0.102 nan 8.360 nan 0.000 0.447 333 D N 0.739 121.147 120.400 0.015 0.000 2.304 333 D HA 0.241 4.881 4.640 -0.000 0.000 0.247 333 D C -0.762 175.486 176.300 -0.086 0.000 1.089 333 D CA -0.183 53.806 54.000 -0.019 0.000 0.910 333 D CB 1.453 42.227 40.800 -0.045 0.000 1.199 333 D HN -0.024 nan 8.370 nan 0.000 0.426 334 V N 2.389 122.247 119.914 -0.093 0.000 2.531 334 V HA 0.192 4.312 4.120 -0.000 0.000 0.301 334 V C -0.407 175.509 176.094 -0.298 0.000 1.034 334 V CA -0.952 61.199 62.300 -0.249 0.000 0.865 334 V CB 1.951 33.594 31.823 -0.300 0.000 0.995 334 V HN 0.328 nan 8.190 nan 0.000 0.424 335 L N 5.975 126.986 121.223 -0.353 0.000 2.281 335 L HA 0.603 4.943 4.340 -0.000 0.000 0.285 335 L C -0.922 175.851 176.870 -0.160 0.000 1.074 335 L CA 0.569 55.235 54.840 -0.290 0.000 0.817 335 L CB 0.273 42.099 42.059 -0.388 0.000 1.168 335 L HN 0.447 nan 8.230 nan 0.000 0.434 336 F N 4.955 124.938 119.950 0.054 0.000 2.408 336 F HA 0.751 5.278 4.527 -0.000 0.000 0.344 336 F C 0.631 176.494 175.800 0.105 0.000 1.112 336 F CA -0.081 58.010 58.000 0.151 0.000 1.096 336 F CB 1.461 40.550 39.000 0.149 0.000 1.129 336 F HN 0.703 nan 8.300 nan 0.000 0.486 337 A N 3.694 126.722 122.820 0.346 0.000 2.479 337 A HA 0.901 5.221 4.320 -0.000 0.000 0.296 337 A C -1.382 176.319 177.584 0.196 0.000 1.121 337 A CA -0.703 51.455 52.037 0.201 0.000 0.743 337 A CB 1.493 20.626 19.000 0.221 0.000 1.323 337 A HN 0.519 nan 8.150 nan 0.000 0.415 338 I N 0.031 120.585 120.570 -0.027 0.000 2.569 338 I HA 0.626 4.796 4.170 -0.000 0.000 0.296 338 I C -1.211 174.773 176.117 -0.221 0.000 1.028 338 I CA -0.440 60.858 61.300 -0.002 0.000 1.082 338 I CB 1.205 39.194 38.000 -0.017 0.000 1.264 338 I HN 0.581 nan 8.210 nan 0.000 0.429 339 F N 1.707 121.652 119.950 -0.009 0.000 2.588 339 F HA 0.441 4.968 4.527 -0.000 0.000 0.310 339 F C 0.497 176.356 175.800 0.100 0.000 1.082 339 F CA -0.470 57.544 58.000 0.024 0.000 0.929 339 F CB 2.249 41.270 39.000 0.035 0.000 1.254 339 F HN 0.266 nan 8.300 nan 0.000 0.455 340 S N 0.968 116.859 115.700 0.320 0.000 2.687 340 S HA 0.305 4.775 4.470 -0.000 0.000 0.283 340 S C -0.534 174.265 174.600 0.332 0.000 1.170 340 S CA -0.888 57.483 58.200 0.285 0.000 1.008 340 S CB 1.248 64.543 63.200 0.158 0.000 1.026 340 S HN 0.479 nan 8.310 nan 0.000 0.541 341 K N 1.160 121.697 120.400 0.228 0.000 2.447 341 K HA 0.328 4.648 4.320 -0.000 0.000 0.281 341 K C 0.884 177.492 176.600 0.013 0.000 1.031 341 K CA 0.869 57.164 56.287 0.013 0.000 1.019 341 K CB -0.419 32.055 32.500 -0.044 0.000 0.918 341 K HN 0.841 nan 8.250 nan 0.000 0.476 342 G N 3.699 112.482 108.800 -0.028 0.000 2.539 342 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.256 342 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.256 342 G C -0.206 174.745 174.900 0.084 0.000 1.233 342 G CA 0.307 45.417 45.100 0.018 0.000 0.936 342 G HN 0.686 nan 8.290 nan 0.000 0.571 343 Q N -0.267 119.591 119.800 0.097 0.000 2.038 343 Q HA 0.252 4.592 4.340 -0.000 0.000 0.240 343 Q C -0.073 175.997 176.000 0.116 0.000 0.831 343 Q CA 0.169 56.072 55.803 0.166 0.000 1.068 343 Q CB 0.746 29.661 28.738 0.294 0.000 1.241 343 Q HN 0.741 nan 8.270 nan 0.000 0.435 344 K N -0.445 119.967 120.400 0.019 0.000 2.221 344 K HA 0.575 4.895 4.320 -0.000 0.000 0.258 344 K C -0.632 175.931 176.600 -0.062 0.000 0.944 344 K CA -1.076 55.193 56.287 -0.031 0.000 0.823 344 K CB 1.365 33.822 32.500 -0.071 0.000 1.113 344 K HN -0.249 nan 8.250 nan 0.000 0.431 345 Q N 1.423 121.178 119.800 -0.076 0.000 2.374 345 Q HA -0.254 4.086 4.340 -0.000 0.000 0.336 345 Q C -0.395 175.428 176.000 -0.295 0.000 1.257 345 Q CA 0.536 56.255 55.803 -0.140 0.000 1.007 345 Q CB -1.360 27.384 28.738 0.010 0.000 1.106 345 Q HN 0.777 nan 8.270 nan 0.000 0.297 346 Y N 1.871 121.628 120.300 -0.904 0.000 2.293 346 Y HA -0.187 4.363 4.550 -0.000 0.000 0.291 346 Y C 1.618 177.130 175.900 -0.648 0.000 1.137 346 Y CA 2.299 59.879 58.100 -0.867 0.000 1.202 346 Y CB 0.243 37.935 38.460 -1.281 0.000 0.990 346 Y HN 0.737 nan 8.280 nan 0.000 0.537 347 H N -1.696 117.076 119.070 -0.496 0.000 2.395 347 H HA 0.029 4.585 4.556 -0.000 0.000 0.299 347 H C 0.192 175.181 175.328 -0.565 0.000 1.070 347 H CA 1.403 57.125 56.048 -0.544 0.000 1.356 347 H CB -0.393 29.157 29.762 -0.353 0.000 1.401 347 H HN 0.410 nan 8.280 nan 0.000 0.524 348 H N 0.991 120.002 119.070 -0.099 0.000 2.539 348 H HA 0.250 4.806 4.556 -0.000 0.000 0.247 348 H C -2.232 173.041 175.328 -0.092 0.000 1.363 348 H CA -1.816 54.185 56.048 -0.078 0.000 1.371 348 H CB 0.859 30.601 29.762 -0.033 0.000 1.438 348 H HN 0.225 nan 8.280 nan 0.000 0.523 349 P HA 0.131 nan 4.420 nan 0.000 0.281 349 P C -1.997 175.309 177.300 0.010 0.000 1.249 349 P CA -1.425 61.656 63.100 -0.033 0.000 0.810 349 P CB 1.124 32.783 31.700 -0.068 0.000 1.008 350 P HA 0.144 nan 4.420 nan 0.000 0.339 350 P C -0.194 177.130 177.300 0.041 0.000 1.376 350 P CA 0.400 63.519 63.100 0.031 0.000 0.797 350 P CB 0.518 32.238 31.700 0.033 0.000 1.872 351 D N -2.840 117.590 120.400 0.051 0.000 2.457 351 D HA 0.065 4.705 4.640 -0.000 0.000 0.254 351 D C -0.553 175.796 176.300 0.082 0.000 1.097 351 D CA 0.102 54.136 54.000 0.057 0.000 0.870 351 D CB -0.261 40.566 40.800 0.045 0.000 1.253 351 D HN 0.258 nan 8.370 nan 0.000 0.500 352 D N 0.880 121.344 120.400 0.106 0.000 2.368 352 D HA 0.171 4.811 4.640 -0.000 0.000 0.268 352 D C -0.362 176.098 176.300 0.266 0.000 1.298 352 D CA 0.390 54.500 54.000 0.185 0.000 0.938 352 D CB 0.415 41.329 40.800 0.190 0.000 1.101 352 D HN -0.013 nan 8.370 nan 0.000 0.509 353 S N 0.817 116.607 115.700 0.150 0.000 2.568 353 S HA 0.884 5.354 4.470 -0.000 0.000 0.293 353 S C -0.760 173.723 174.600 -0.195 0.000 1.089 353 S CA -1.134 57.100 58.200 0.057 0.000 0.945 353 S CB 2.339 65.579 63.200 0.066 0.000 1.077 353 S HN 0.390 nan 8.310 nan 0.000 0.485 354 A N 1.422 124.078 122.820 -0.273 0.000 2.429 354 A HA 0.643 4.963 4.320 -0.000 0.000 0.289 354 A C -1.029 176.524 177.584 -0.053 0.000 1.043 354 A CA -0.683 51.111 52.037 -0.406 0.000 0.722 354 A CB 1.023 19.324 19.000 -1.165 0.000 1.243 354 A HN 1.101 nan 8.150 nan 0.000 0.415 355 L N 3.473 124.732 121.223 0.061 0.000 2.367 355 L HA 0.713 5.053 4.340 -0.000 0.000 0.275 355 L C -0.059 176.907 176.870 0.160 0.000 1.129 355 L CA 0.114 55.051 54.840 0.162 0.000 0.839 355 L CB 0.346 42.519 42.059 0.189 0.000 1.133 355 L HN 0.971 nan 8.230 nan 0.000 0.453 356 c N 2.851 121.601 118.600 0.250 0.000 3.173 356 c HA 0.958 5.528 4.570 -0.000 0.000 0.310 356 c C -0.059 174.170 174.090 0.232 0.000 1.306 356 c CA -0.733 55.702 56.329 0.176 0.000 1.426 356 c CB 0.694 43.217 42.510 0.021 0.000 1.800 356 c HN 1.186 nan 8.230 nan 0.000 0.470 357 A N 0.939 123.769 122.820 0.017 0.000 2.317 357 A HA 0.892 5.212 4.320 -0.000 0.000 0.327 357 A C -1.165 176.251 177.584 -0.281 0.000 1.178 357 A CA -0.364 51.593 52.037 -0.133 0.000 0.817 357 A CB 0.413 19.303 19.000 -0.182 0.000 1.189 357 A HN 0.825 nan 8.150 nan 0.000 0.489 358 F N 3.477 123.208 119.950 -0.366 0.000 2.496 358 F HA 0.401 4.928 4.527 -0.000 0.000 0.341 358 F C -2.205 173.251 175.800 -0.572 0.000 1.134 358 F CA -2.148 55.621 58.000 -0.385 0.000 0.968 358 F CB 2.576 41.498 39.000 -0.131 0.000 1.205 358 F HN 0.351 nan 8.300 nan 0.000 0.436 359 P HA 0.089 nan 4.420 nan 0.000 0.276 359 P C 0.778 177.908 177.300 -0.285 0.000 1.235 359 P CA -0.286 62.462 63.100 -0.585 0.000 0.772 359 P CB 1.389 32.584 31.700 -0.841 0.000 0.871 360 I N 2.884 123.329 120.570 -0.207 0.000 2.208 360 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 360 I C 2.503 178.568 176.117 -0.088 0.000 1.097 360 I CA 1.407 62.615 61.300 -0.155 0.000 1.363 360 I CB -1.259 36.659 38.000 -0.136 0.000 1.051 360 I HN 0.560 nan 8.210 nan 0.000 0.413 361 R N 0.786 121.245 120.500 -0.068 0.000 2.117 361 R HA -0.207 4.133 4.340 -0.000 0.000 0.243 361 R C 2.223 178.504 176.300 -0.032 0.000 1.143 361 R CA 1.763 57.848 56.100 -0.025 0.000 0.968 361 R CB -0.064 30.233 30.300 -0.005 0.000 0.863 361 R HN 0.386 nan 8.270 nan 0.000 0.444 362 A N 0.827 123.604 122.820 -0.071 0.000 1.898 362 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 362 A C 2.130 179.702 177.584 -0.019 0.000 1.181 362 A CA 1.140 53.148 52.037 -0.048 0.000 0.620 362 A CB -0.363 18.583 19.000 -0.090 0.000 0.819 362 A HN 0.293 nan 8.150 nan 0.000 0.442 363 I N 0.048 120.605 120.570 -0.023 0.000 2.142 363 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 363 I C 2.059 178.164 176.117 -0.020 0.000 1.078 363 I CA 1.345 62.641 61.300 -0.006 0.000 1.343 363 I CB -0.598 37.385 38.000 -0.027 0.000 1.046 363 I HN 0.246 nan 8.210 nan 0.000 0.405 364 N N 0.761 119.446 118.700 -0.024 0.000 2.272 364 N HA -0.172 4.568 4.740 -0.000 0.000 0.185 364 N C 1.749 177.236 175.510 -0.038 0.000 1.014 364 N CA 1.291 54.312 53.050 -0.048 0.000 0.870 364 N CB -0.235 38.250 38.487 -0.002 0.000 0.975 364 N HN 0.281 nan 8.380 nan 0.000 0.433 365 L N 0.645 121.858 121.223 -0.016 0.000 2.168 365 L HA 0.043 4.383 4.340 -0.000 0.000 0.203 365 L C 2.331 179.196 176.870 -0.010 0.000 1.078 365 L CA 0.976 55.811 54.840 -0.008 0.000 0.780 365 L CB -0.309 41.752 42.059 0.003 0.000 0.939 365 L HN 0.053 nan 8.230 nan 0.000 0.451 366 Q N -0.278 119.519 119.800 -0.005 0.000 2.170 366 Q HA -0.216 4.124 4.340 -0.000 0.000 0.203 366 Q C 2.117 178.112 176.000 -0.008 0.000 0.976 366 Q CA 2.019 57.824 55.803 0.003 0.000 0.858 366 Q CB -0.132 28.618 28.738 0.020 0.000 0.907 366 Q HN 0.608 nan 8.270 nan 0.000 0.433 367 I N 0.295 120.849 120.570 -0.027 0.000 2.202 367 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 367 I C 2.490 178.582 176.117 -0.041 0.000 1.091 367 I CA 1.196 62.469 61.300 -0.043 0.000 1.368 367 I CB -0.279 37.666 38.000 -0.092 0.000 1.058 367 I HN 0.189 nan 8.210 nan 0.000 0.410 368 K N 1.112 121.486 120.400 -0.044 0.000 2.113 368 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 368 K C 1.879 178.446 176.600 -0.054 0.000 1.047 368 K CA 1.819 58.078 56.287 -0.047 0.000 0.928 368 K CB 0.025 32.508 32.500 -0.028 0.000 0.716 368 K HN 0.298 nan 8.250 nan 0.000 0.446 369 E N -0.531 119.651 120.200 -0.031 0.000 2.230 369 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 369 E C 1.919 178.506 176.600 -0.023 0.000 0.987 369 E CA 0.435 56.822 56.400 -0.022 0.000 0.841 369 E CB 0.135 29.834 29.700 -0.003 0.000 0.783 369 E HN 0.148 nan 8.360 nan 0.000 0.481 370 R N 0.871 121.361 120.500 -0.017 0.000 2.073 370 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 370 R C 1.931 178.225 176.300 -0.010 0.000 1.134 370 R CA 1.285 57.380 56.100 -0.007 0.000 0.952 370 R CB -0.567 29.734 30.300 0.002 0.000 0.850 370 R HN 0.134 nan 8.270 nan 0.000 0.433 371 L N 0.230 121.443 121.223 -0.018 0.000 2.012 371 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 371 L C 2.684 179.517 176.870 -0.062 0.000 1.073 371 L CA 1.874 56.711 54.840 -0.006 0.000 0.748 371 L CB -0.532 41.476 42.059 -0.086 0.000 0.891 371 L HN 0.321 nan 8.230 nan 0.000 0.431 372 Q N -0.091 119.621 119.800 -0.147 0.000 2.029 372 Q HA -0.273 4.067 4.340 -0.000 0.000 0.209 372 Q C 2.378 178.167 176.000 -0.353 0.000 0.999 372 Q CA 2.975 58.634 55.803 -0.239 0.000 0.857 372 Q CB -0.220 28.452 28.738 -0.109 0.000 0.926 372 Q HN 0.621 nan 8.270 nan 0.000 0.415 373 S N -0.840 114.775 115.700 -0.141 0.000 2.348 373 S HA -0.224 4.246 4.470 -0.000 0.000 0.221 373 S C 2.314 176.860 174.600 -0.090 0.000 1.033 373 S CA 1.179 59.341 58.200 -0.063 0.000 1.010 373 S CB -1.326 61.878 63.200 0.006 0.000 0.891 373 S HN 0.648 nan 8.310 nan 0.000 0.442 374 c N 0.573 119.135 118.600 -0.064 0.000 2.410 374 c HA -0.038 4.532 4.570 -0.000 0.000 0.281 374 c C 2.229 176.237 174.090 -0.138 0.000 1.318 374 c CA 0.575 56.862 56.329 -0.071 0.000 1.776 374 c CB -1.932 40.553 42.510 -0.042 0.000 1.942 374 c HN 0.642 nan 8.230 nan 0.000 0.508 375 Y N -0.629 119.513 120.300 -0.263 0.000 2.529 375 Y HA 0.083 4.633 4.550 -0.000 0.000 0.290 375 Y C 1.791 177.568 175.900 -0.206 0.000 1.177 375 Y CA 1.185 59.129 58.100 -0.260 0.000 1.305 375 Y CB -0.349 37.913 38.460 -0.330 0.000 1.047 375 Y HN 0.627 nan 8.280 nan 0.000 0.522 376 H N -1.931 117.175 119.070 0.060 0.000 2.469 376 H HA 0.344 4.900 4.556 -0.000 0.000 0.286 376 H C 1.593 176.918 175.328 -0.004 0.000 1.106 376 H CA 0.120 56.183 56.048 0.026 0.000 1.055 376 H CB 0.328 30.104 29.762 0.022 0.000 1.618 376 H HN 0.273 nan 8.280 nan 0.000 0.559 377 G N 1.155 109.980 108.800 0.041 0.000 2.184 377 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.264 377 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.264 377 G C 0.060 174.961 174.900 0.001 0.000 0.975 377 G CA -0.073 45.028 45.100 0.002 0.000 0.642 377 G HN 0.509 nan 8.290 nan 0.000 0.536 378 E N 0.592 120.801 120.200 0.014 0.000 2.223 378 E HA 0.474 4.824 4.350 -0.000 0.000 0.282 378 E C 1.103 177.698 176.600 -0.008 0.000 1.046 378 E CA 0.482 56.891 56.400 0.013 0.000 0.857 378 E CB 0.748 30.469 29.700 0.036 0.000 1.055 378 E HN 1.342 nan 8.360 nan 0.000 0.409 379 G N 3.683 112.478 108.800 -0.009 0.000 2.593 379 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.237 379 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.237 379 G C -0.372 174.514 174.900 -0.024 0.000 1.312 379 G CA -0.554 44.538 45.100 -0.013 0.000 0.896 379 G HN 0.539 nan 8.290 nan 0.000 0.574 380 N N -1.009 117.678 118.700 -0.022 0.000 2.531 380 N HA 0.667 5.407 4.740 -0.000 0.000 0.290 380 N C 1.660 177.154 175.510 -0.026 0.000 1.257 380 N CA -0.595 52.437 53.050 -0.029 0.000 0.863 380 N CB 1.270 39.742 38.487 -0.024 0.000 1.320 380 N HN 0.396 nan 8.380 nan 0.000 0.538 381 L N 0.594 121.797 121.223 -0.033 0.000 2.093 381 L HA 0.049 4.389 4.340 -0.000 0.000 0.208 381 L C -0.212 176.655 176.870 -0.005 0.000 1.085 381 L CA 0.920 55.746 54.840 -0.023 0.000 0.755 381 L CB -0.407 41.630 42.059 -0.037 0.000 0.904 381 L HN 0.598 nan 8.230 nan 0.000 0.435 382 E N 0.410 120.604 120.200 -0.010 0.000 2.240 382 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 382 E C -0.507 176.108 176.600 0.025 0.000 1.385 382 E CA 0.111 56.515 56.400 0.007 0.000 0.686 382 E CB -1.296 28.415 29.700 0.018 0.000 1.125 382 E HN 0.146 nan 8.360 nan 0.000 0.359 383 L N 1.267 122.484 121.223 -0.011 0.000 2.457 383 L HA 0.243 4.583 4.340 -0.000 0.000 0.259 383 L C 0.473 177.260 176.870 -0.139 0.000 1.377 383 L CA -0.167 54.652 54.840 -0.035 0.000 0.887 383 L CB 0.663 42.684 42.059 -0.064 0.000 1.085 383 L HN 0.125 nan 8.230 nan 0.000 0.509 384 N N 1.900 120.580 118.700 -0.033 0.000 2.446 384 N HA -0.090 4.650 4.740 -0.000 0.000 0.179 384 N C 1.256 176.740 175.510 -0.043 0.000 1.054 384 N CA 1.108 54.130 53.050 -0.047 0.000 0.905 384 N CB 0.107 38.589 38.487 -0.007 0.000 0.973 384 N HN 0.819 nan 8.380 nan 0.000 0.448 385 W N 0.785 122.061 121.300 -0.040 0.000 2.436 385 W HA 0.016 4.676 4.660 -0.000 0.000 0.284 385 W C 1.267 177.784 176.519 -0.004 0.000 1.225 385 W CA 0.096 57.389 57.345 -0.087 0.000 1.271 385 W CB -0.579 28.873 29.460 -0.012 0.000 1.114 385 W HN -0.044 nan 8.180 nan 0.000 0.559 386 L N 0.835 121.531 121.223 -0.877 0.000 2.425 386 L HA 0.259 4.599 4.340 -0.000 0.000 0.215 386 L C 2.216 178.838 176.870 -0.413 0.000 1.065 386 L CA 1.187 55.508 54.840 -0.864 0.000 0.842 386 L CB -0.684 40.484 42.059 -1.485 0.000 1.033 386 L HN -0.119 nan 8.230 nan 0.000 0.474 387 L N -0.660 120.363 121.223 -0.334 0.000 2.249 387 L HA 0.264 4.604 4.340 -0.000 0.000 0.207 387 L C 1.688 178.482 176.870 -0.128 0.000 1.090 387 L CA 0.828 55.551 54.840 -0.195 0.000 0.802 387 L CB -0.429 41.533 42.059 -0.162 0.000 0.947 387 L HN 0.455 nan 8.230 nan 0.000 0.453 388 G N 0.938 109.670 108.800 -0.112 0.000 2.168 388 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.263 388 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.263 388 G C 0.256 175.121 174.900 -0.058 0.000 0.977 388 G CA 1.031 46.088 45.100 -0.071 0.000 0.659 388 G HN 0.507 nan 8.290 nan 0.000 0.533 389 K N -1.846 118.517 120.400 -0.063 0.000 2.544 389 K HA 0.589 4.909 4.320 -0.000 0.000 0.282 389 K C -2.036 174.534 176.600 -0.051 0.000 1.020 389 K CA -1.138 55.119 56.287 -0.050 0.000 0.830 389 K CB 0.507 32.979 32.500 -0.047 0.000 1.521 389 K HN -0.114 nan 8.250 nan 0.000 0.376 390 D N 0.969 121.343 120.400 -0.043 0.000 2.198 390 D HA 0.415 5.055 4.640 -0.000 0.000 0.245 390 D C -0.986 175.286 176.300 -0.046 0.000 1.079 390 D CA -0.271 53.704 54.000 -0.041 0.000 0.854 390 D CB 1.904 42.684 40.800 -0.033 0.000 1.148 390 D HN 0.332 nan 8.370 nan 0.000 0.456 391 V N 3.094 122.978 119.914 -0.050 0.000 2.483 391 V HA 0.206 4.326 4.120 -0.000 0.000 0.297 391 V C 0.161 176.222 176.094 -0.056 0.000 1.027 391 V CA -0.914 61.352 62.300 -0.056 0.000 0.855 391 V CB 1.831 33.614 31.823 -0.066 0.000 0.995 391 V HN 0.349 nan 8.190 nan 0.000 0.424 392 Q N 2.023 121.790 119.800 -0.056 0.000 2.296 392 Q HA 0.252 4.592 4.340 -0.000 0.000 0.262 392 Q C -0.249 175.705 176.000 -0.077 0.000 0.981 392 Q CA -0.391 55.378 55.803 -0.056 0.000 0.905 392 Q CB 1.265 29.974 28.738 -0.048 0.000 1.186 392 Q HN 0.834 nan 8.270 nan 0.000 0.399 393 c N 3.155 121.706 118.600 -0.083 0.000 2.538 393 c HA -0.001 4.569 4.570 -0.000 0.000 0.408 393 c C 0.763 174.771 174.090 -0.136 0.000 1.421 393 c CA 0.089 56.343 56.329 -0.125 0.000 1.642 393 c CB -0.678 41.766 42.510 -0.111 0.000 2.553 393 c HN 0.608 nan 8.230 nan 0.000 0.604 394 T N 4.529 118.963 114.554 -0.201 0.000 2.744 394 T HA 0.190 4.540 4.350 -0.000 0.000 0.291 394 T C -0.015 174.578 174.700 -0.179 0.000 0.957 394 T CA -0.455 61.544 62.100 -0.167 0.000 1.002 394 T CB 0.672 69.441 68.868 -0.166 0.000 0.919 394 T HN 0.650 nan 8.240 nan 0.000 0.468 395 K N 2.522 122.876 120.400 -0.077 0.000 2.412 395 K HA 0.458 4.778 4.320 -0.000 0.000 0.284 395 K C -0.606 176.007 176.600 0.022 0.000 1.046 395 K CA -0.278 56.006 56.287 -0.006 0.000 0.999 395 K CB 0.066 32.586 32.500 0.033 0.000 0.941 395 K HN 0.770 nan 8.250 nan 0.000 0.474 396 A N 5.550 128.426 122.820 0.093 0.000 2.455 396 A HA 0.437 4.757 4.320 -0.000 0.000 0.300 396 A C -2.505 175.204 177.584 0.208 0.000 1.040 396 A CA -1.372 50.755 52.037 0.149 0.000 0.697 396 A CB 1.375 20.484 19.000 0.182 0.000 1.265 396 A HN 0.659 nan 8.150 nan 0.000 0.407 397 P HA 0.213 nan 4.420 nan 0.000 0.232 397 P C -0.748 176.611 177.300 0.099 0.000 1.738 397 P CA 0.296 63.464 63.100 0.114 0.000 0.948 397 P CB -0.395 31.350 31.700 0.075 0.000 1.943 398 V N 3.282 123.254 119.914 0.097 0.000 2.407 398 V HA 0.292 4.412 4.120 -0.000 0.000 0.291 398 V C -1.986 174.014 176.094 -0.157 0.000 1.018 398 V CA -2.160 60.136 62.300 -0.007 0.000 0.842 398 V CB 1.778 33.599 31.823 -0.003 0.000 0.996 398 V HN 0.189 nan 8.190 nan 0.000 0.426 399 P HA 0.236 nan 4.420 nan 0.000 0.271 399 P C -0.382 176.769 177.300 -0.248 0.000 1.226 399 P CA -0.126 62.907 63.100 -0.112 0.000 0.765 399 P CB 0.889 32.573 31.700 -0.027 0.000 0.835 400 I N 3.904 124.263 120.570 -0.350 0.000 2.213 400 I HA 0.029 4.199 4.170 -0.000 0.000 0.295 400 I C 1.374 177.397 176.117 -0.156 0.000 1.172 400 I CA -0.456 60.553 61.300 -0.485 0.000 1.443 400 I CB -1.358 36.294 38.000 -0.581 0.000 1.491 400 I HN 0.470 nan 8.210 nan 0.000 0.652 401 D N 2.795 123.182 120.400 -0.021 0.000 2.364 401 D HA -0.155 4.485 4.640 -0.000 0.000 0.236 401 D C 0.603 176.960 176.300 0.094 0.000 1.221 401 D CA -0.188 53.844 54.000 0.053 0.000 0.891 401 D CB 1.595 42.448 40.800 0.087 0.000 1.190 401 D HN 0.243 nan 8.370 nan 0.000 0.449 402 D N -0.130 120.322 120.400 0.087 0.000 2.158 402 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 402 D C 0.011 176.424 176.300 0.188 0.000 0.995 402 D CA 1.141 55.206 54.000 0.108 0.000 0.846 402 D CB -0.149 40.704 40.800 0.089 0.000 0.941 402 D HN 0.597 nan 8.370 nan 0.000 0.456 403 N N -0.196 118.624 118.700 0.199 0.000 2.682 403 N HA 0.154 4.894 4.740 -0.000 0.000 0.252 403 N C -1.210 174.440 175.510 0.234 0.000 1.081 403 N CA -0.699 52.515 53.050 0.274 0.000 0.844 403 N CB -0.105 38.458 38.487 0.126 0.000 1.167 403 N HN -0.029 nan 8.380 nan 0.000 0.523 404 F N 0.833 120.861 119.950 0.130 0.000 2.450 404 F HA 0.544 5.071 4.527 -0.000 0.000 0.332 404 F C -0.170 175.693 175.800 0.106 0.000 1.093 404 F CA -0.919 57.115 58.000 0.058 0.000 1.003 404 F CB 1.383 40.377 39.000 -0.011 0.000 1.151 404 F HN 0.434 nan 8.300 nan 0.000 0.474 405 c N 4.791 122.959 118.600 -0.720 0.000 2.742 405 c HA 0.633 5.203 4.570 -0.000 0.000 0.283 405 c C 0.519 174.292 174.090 -0.529 0.000 1.451 405 c CA 0.143 56.210 56.329 -0.438 0.000 1.785 405 c CB -1.398 40.977 42.510 -0.226 0.000 2.664 405 c HN 1.310 nan 8.230 nan 0.000 0.544 406 G N 1.133 109.271 108.800 -1.103 0.000 2.731 406 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.686 406 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.686 406 G C -0.913 173.873 174.900 -0.191 0.000 1.395 406 G CA -0.519 44.351 45.100 -0.383 0.000 0.870 406 G HN 0.368 nan 8.290 nan 0.000 0.591 407 L N 0.051 121.327 121.223 0.088 0.000 2.242 407 L HA 0.582 4.922 4.340 -0.000 0.000 0.261 407 L C 1.267 178.021 176.870 -0.193 0.000 1.052 407 L CA -0.456 54.426 54.840 0.070 0.000 0.972 407 L CB 0.974 43.150 42.059 0.194 0.000 1.562 407 L HN 0.749 nan 8.230 nan 0.000 0.509 408 D N 0.020 120.252 120.400 -0.280 0.000 2.340 408 D HA 0.070 4.710 4.640 -0.000 0.000 0.220 408 D C 0.215 176.355 176.300 -0.267 0.000 1.039 408 D CA 0.164 53.823 54.000 -0.568 0.000 0.866 408 D CB -0.301 40.325 40.800 -0.291 0.000 0.913 408 D HN 0.382 nan 8.370 nan 0.000 0.523 409 I N -3.751 116.748 120.570 -0.118 0.000 2.607 409 I HA 0.421 4.591 4.170 -0.000 0.000 0.305 409 I C -0.419 175.643 176.117 -0.092 0.000 0.995 409 I CA -0.982 60.257 61.300 -0.101 0.000 1.148 409 I CB 1.178 39.121 38.000 -0.094 0.000 1.323 409 I HN -0.359 nan 8.210 nan 0.000 0.461 410 N N 2.375 120.982 118.700 -0.155 0.000 2.738 410 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 410 N C -1.045 174.471 175.510 0.010 0.000 1.047 410 N CA 1.323 54.289 53.050 -0.139 0.000 0.707 410 N CB -1.201 37.070 38.487 -0.360 0.000 0.937 410 N HN 0.910 nan 8.380 nan 0.000 0.545 411 Q N -2.081 117.716 119.800 -0.004 0.000 2.391 411 Q HA 0.726 5.066 4.340 -0.000 0.000 0.279 411 Q C -3.065 172.941 176.000 0.010 0.000 1.028 411 Q CA -1.335 54.500 55.803 0.052 0.000 0.836 411 Q CB 1.195 29.988 28.738 0.090 0.000 1.414 411 Q HN -0.067 nan 8.270 nan 0.000 0.397 412 P HA 0.244 nan 4.420 nan 0.000 0.275 412 P C -1.215 176.163 177.300 0.132 0.000 1.228 412 P CA -0.470 62.709 63.100 0.132 0.000 0.786 412 P CB 0.703 32.411 31.700 0.014 0.000 0.927 413 L N 1.707 123.047 121.223 0.195 0.000 2.309 413 L HA 0.673 5.013 4.340 -0.000 0.000 0.282 413 L C 0.581 177.521 176.870 0.117 0.000 1.036 413 L CA 0.204 55.114 54.840 0.117 0.000 0.806 413 L CB 1.262 43.384 42.059 0.105 0.000 1.220 413 L HN 0.672 nan 8.230 nan 0.000 0.429 414 G N 1.732 110.581 108.800 0.081 0.000 3.211 414 G HA2 0.808 4.768 3.960 -0.000 0.000 0.167 414 G HA3 0.808 4.768 3.960 -0.000 0.000 0.167 414 G C -0.670 174.268 174.900 0.062 0.000 1.212 414 G CA -0.430 44.724 45.100 0.091 0.000 0.928 414 G HN 1.082 nan 8.290 nan 0.000 0.607 415 G N -1.824 107.017 108.800 0.068 0.000 2.368 415 G HA2 0.502 4.462 3.960 -0.000 0.000 0.301 415 G HA3 0.502 4.462 3.960 -0.000 0.000 0.301 415 G C -0.627 174.312 174.900 0.064 0.000 1.640 415 G CA 0.402 45.533 45.100 0.053 0.000 0.941 415 G HN 1.415 nan 8.290 nan 0.000 0.695 416 S N -0.446 115.284 115.700 0.049 0.000 2.143 416 S HA 0.557 5.027 4.470 -0.000 0.000 0.188 416 S C 0.015 174.641 174.600 0.043 0.000 1.431 416 S CA -0.089 58.141 58.200 0.049 0.000 1.253 416 S CB 0.463 63.683 63.200 0.033 0.000 1.137 416 S HN 1.424 nan 8.310 nan 0.000 0.457 417 T N -0.403 114.183 114.554 0.053 0.000 3.446 417 T HA 0.352 4.702 4.350 -0.000 0.000 0.289 417 T C -3.096 171.643 174.700 0.065 0.000 1.203 417 T CA -1.312 60.816 62.100 0.047 0.000 1.645 417 T CB 0.176 69.066 68.868 0.036 0.000 0.841 417 T HN 0.067 nan 8.240 nan 0.000 0.617 418 P HA -0.052 nan 4.420 nan 0.000 0.265 418 P C -0.058 177.316 177.300 0.123 0.000 1.151 418 P CA -0.008 63.159 63.100 0.112 0.000 0.755 418 P CB 0.410 32.159 31.700 0.082 0.000 0.756 419 V N 4.357 124.388 119.914 0.197 0.000 2.372 419 V HA 0.066 4.186 4.120 -0.000 0.000 0.261 419 V C 0.794 177.052 176.094 0.273 0.000 1.055 419 V CA -0.146 62.288 62.300 0.224 0.000 0.930 419 V CB -0.030 31.959 31.823 0.278 0.000 1.031 419 V HN 0.424 nan 8.190 nan 0.000 0.479 420 E N 3.626 123.884 120.200 0.097 0.000 2.259 420 E HA 0.409 4.759 4.350 -0.000 0.000 0.281 420 E C 0.462 176.902 176.600 -0.267 0.000 1.037 420 E CA 0.099 56.478 56.400 -0.036 0.000 0.854 420 E CB 1.980 31.651 29.700 -0.049 0.000 1.051 420 E HN 0.757 nan 8.360 nan 0.000 0.409 421 G N 1.796 110.201 108.800 -0.658 0.000 2.410 421 G HA2 0.411 4.371 3.960 -0.000 0.000 0.330 421 G HA3 0.411 4.371 3.960 -0.000 0.000 0.330 421 G C -0.714 173.840 174.900 -0.577 0.000 1.142 421 G CA -0.728 43.589 45.100 -1.305 0.000 0.902 421 G HN 0.414 nan 8.290 nan 0.000 0.491 422 L N 1.653 122.663 121.223 -0.355 0.000 2.385 422 L HA 0.358 4.698 4.340 -0.000 0.000 0.281 422 L C 0.719 177.537 176.870 -0.086 0.000 1.106 422 L CA -0.160 54.617 54.840 -0.105 0.000 0.856 422 L CB -0.015 42.092 42.059 0.079 0.000 1.186 422 L HN 0.418 nan 8.230 nan 0.000 0.453 423 T N 6.367 120.881 114.554 -0.068 0.000 2.940 423 T HA 0.152 4.502 4.350 -0.000 0.000 0.309 423 T C 1.276 175.990 174.700 0.023 0.000 1.056 423 T CA 0.038 62.120 62.100 -0.031 0.000 1.137 423 T CB 0.803 69.649 68.868 -0.036 0.000 0.976 423 T HN 0.630 nan 8.240 nan 0.000 0.547 424 L N 1.161 122.424 121.223 0.067 0.000 2.685 424 L HA 0.407 4.747 4.340 -0.000 0.000 0.235 424 L C -0.199 176.774 176.870 0.173 0.000 1.070 424 L CA 0.010 54.920 54.840 0.117 0.000 0.888 424 L CB 0.467 42.624 42.059 0.163 0.000 1.203 424 L HN 0.686 nan 8.230 nan 0.000 0.499 425 Y N 0.307 120.595 120.300 -0.020 0.000 2.521 425 Y HA 0.378 4.928 4.550 -0.000 0.000 0.326 425 Y C -0.998 174.855 175.900 -0.077 0.000 1.176 425 Y CA -1.052 57.027 58.100 -0.035 0.000 1.079 425 Y CB 1.334 39.772 38.460 -0.036 0.000 1.341 425 Y HN -0.005 nan 8.280 nan 0.000 0.456 426 T N 1.053 115.107 114.554 -0.834 0.000 2.887 426 T HA 0.849 5.199 4.350 -0.000 0.000 0.292 426 T C -0.758 173.454 174.700 -0.814 0.000 1.087 426 T CA -0.633 61.084 62.100 -0.639 0.000 1.009 426 T CB 1.992 70.668 68.868 -0.320 0.000 1.203 426 T HN 0.877 nan 8.240 nan 0.000 0.518 427 T N -1.050 113.300 114.554 -0.341 0.000 2.775 427 T HA 0.575 4.925 4.350 -0.000 0.000 0.320 427 T C -0.267 174.418 174.700 -0.025 0.000 1.597 427 T CA 0.088 62.087 62.100 -0.169 0.000 1.022 427 T CB 1.134 69.969 68.868 -0.056 0.000 1.485 427 T HN 1.288 nan 8.240 nan 0.000 0.494 428 S N 0.940 116.643 115.700 0.005 0.000 2.820 428 S HA 0.166 4.636 4.470 -0.000 0.000 0.265 428 S C 1.389 176.009 174.600 0.032 0.000 1.043 428 S CA 0.026 58.247 58.200 0.035 0.000 1.245 428 S CB 0.245 63.468 63.200 0.037 0.000 1.187 428 S HN 0.671 nan 8.310 nan 0.000 0.673 429 R N 2.416 122.933 120.500 0.029 0.000 2.062 429 R HA 0.214 4.554 4.340 -0.000 0.000 0.229 429 R C -0.271 176.053 176.300 0.040 0.000 1.128 429 R CA 1.749 57.869 56.100 0.033 0.000 0.960 429 R CB -0.574 29.746 30.300 0.034 0.000 0.855 429 R HN 0.351 nan 8.270 nan 0.000 0.432 430 D N 0.017 120.447 120.400 0.051 0.000 2.350 430 D HA 0.290 4.930 4.640 -0.000 0.000 0.245 430 D C -1.022 175.314 176.300 0.060 0.000 1.036 430 D CA -0.656 53.377 54.000 0.055 0.000 0.848 430 D CB 1.493 42.331 40.800 0.062 0.000 1.307 430 D HN 0.098 nan 8.370 nan 0.000 0.469 431 R N 2.385 122.917 120.500 0.053 0.000 2.459 431 R HA 0.470 4.810 4.340 -0.000 0.000 0.281 431 R C -0.458 175.875 176.300 0.055 0.000 1.050 431 R CA -0.514 55.619 56.100 0.054 0.000 1.055 431 R CB 0.687 31.013 30.300 0.042 0.000 1.045 431 R HN 0.407 nan 8.270 nan 0.000 0.495 432 L N 2.434 123.692 121.223 0.057 0.000 2.322 432 L HA 0.359 4.699 4.340 -0.000 0.000 0.279 432 L C 1.252 178.141 176.870 0.032 0.000 1.036 432 L CA -0.372 54.499 54.840 0.051 0.000 0.807 432 L CB 1.963 44.063 42.059 0.068 0.000 1.226 432 L HN 0.875 nan 8.230 nan 0.000 0.433 433 T N -3.302 111.268 114.554 0.025 0.000 3.075 433 T HA 0.137 4.487 4.350 -0.000 0.000 0.251 433 T C 0.627 175.333 174.700 0.011 0.000 0.979 433 T CA 0.318 62.429 62.100 0.018 0.000 1.033 433 T CB 0.441 69.326 68.868 0.028 0.000 1.104 433 T HN 0.561 nan 8.240 nan 0.000 0.473 434 S N 0.111 115.816 115.700 0.008 0.000 2.634 434 S HA 0.821 5.291 4.470 -0.000 0.000 0.296 434 S C -1.267 173.319 174.600 -0.023 0.000 1.104 434 S CA -0.645 57.553 58.200 -0.005 0.000 0.920 434 S CB 2.203 65.401 63.200 -0.004 0.000 1.111 434 S HN 0.783 nan 8.310 nan 0.000 0.493 435 V N 0.075 119.961 119.914 -0.046 0.000 2.891 435 V HA 0.872 4.992 4.120 -0.000 0.000 0.304 435 V C -1.256 174.701 176.094 -0.229 0.000 1.171 435 V CA 0.148 62.404 62.300 -0.074 0.000 0.943 435 V CB 1.452 33.277 31.823 0.004 0.000 1.037 435 V HN 1.832 nan 8.190 nan 0.000 0.427 436 A N 4.210 126.821 122.820 -0.347 0.000 2.517 436 A HA 0.910 5.230 4.320 -0.000 0.000 0.297 436 A C -0.847 176.536 177.584 -0.335 0.000 1.050 436 A CA 0.126 51.644 52.037 -0.866 0.000 0.694 436 A CB 2.050 20.498 19.000 -0.920 0.000 1.277 436 A HN 1.622 nan 8.150 nan 0.000 0.400 437 S N 0.817 116.329 115.700 -0.312 0.000 2.595 437 S HA 0.966 5.436 4.470 -0.000 0.000 0.281 437 S C -0.991 173.932 174.600 0.539 0.000 1.117 437 S CA -0.217 58.043 58.200 0.101 0.000 0.873 437 S CB 1.483 64.318 63.200 -0.609 0.000 1.108 437 S HN 1.886 nan 8.310 nan 0.000 0.477 438 Y N -0.481 119.924 120.300 0.175 0.000 2.750 438 Y HA 0.725 5.275 4.550 -0.000 0.000 0.335 438 Y C -2.053 173.884 175.900 0.062 0.000 1.252 438 Y CA -1.357 56.770 58.100 0.046 0.000 1.064 438 Y CB 0.785 39.036 38.460 -0.348 0.000 1.321 438 Y HN 0.377 nan 8.280 nan 0.000 0.451 439 V N 2.592 122.413 119.914 -0.155 0.000 2.313 439 V HA 0.255 4.375 4.120 -0.000 0.000 0.278 439 V C -1.200 174.752 176.094 -0.237 0.000 1.017 439 V CA -0.562 61.610 62.300 -0.214 0.000 0.823 439 V CB 0.381 32.187 31.823 -0.029 0.000 1.010 439 V HN 0.712 nan 8.190 nan 0.000 0.443 440 Y N 5.304 125.301 120.300 -0.506 0.000 2.367 440 Y HA 0.433 4.983 4.550 -0.000 0.000 0.342 440 Y C 0.882 176.740 175.900 -0.070 0.000 0.979 440 Y CA -0.434 57.545 58.100 -0.202 0.000 1.161 440 Y CB 0.572 38.940 38.460 -0.153 0.000 1.155 440 Y HN 0.897 nan 8.280 nan 0.000 0.503 441 N N 4.596 122.992 118.700 -0.507 0.000 2.667 441 N HA -0.214 4.526 4.740 -0.000 0.000 0.263 441 N C 0.828 176.271 175.510 -0.113 0.000 1.038 441 N CA 1.606 54.426 53.050 -0.384 0.000 0.749 441 N CB -1.056 37.078 38.487 -0.589 0.000 0.892 441 N HN 1.362 nan 8.380 nan 0.000 0.546 442 G N -0.734 107.984 108.800 -0.137 0.000 2.353 442 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.258 442 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.258 442 G C 0.078 174.837 174.900 -0.235 0.000 1.013 442 G CA 0.803 45.789 45.100 -0.190 0.000 0.622 442 G HN 0.596 nan 8.290 nan 0.000 0.535 443 Y N 2.022 122.242 120.300 -0.132 0.000 2.327 443 Y HA 0.500 5.050 4.550 -0.000 0.000 0.336 443 Y C 0.987 176.794 175.900 -0.156 0.000 1.035 443 Y CA -0.140 57.883 58.100 -0.129 0.000 1.165 443 Y CB 1.608 39.977 38.460 -0.152 0.000 1.181 443 Y HN 0.293 nan 8.280 nan 0.000 0.494 444 S N 2.588 118.301 115.700 0.022 0.000 2.400 444 S HA 0.471 4.941 4.470 -0.000 0.000 0.295 444 S C -0.520 174.028 174.600 -0.088 0.000 1.113 444 S CA -0.886 57.290 58.200 -0.041 0.000 1.064 444 S CB -0.099 63.140 63.200 0.065 0.000 0.990 444 S HN 0.371 nan 8.310 nan 0.000 0.502 445 V N 4.209 123.999 119.914 -0.205 0.000 2.498 445 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 445 V C 0.105 176.011 176.094 -0.313 0.000 1.048 445 V CA -0.619 61.528 62.300 -0.255 0.000 0.967 445 V CB 1.074 32.735 31.823 -0.270 0.000 0.988 445 V HN 0.784 nan 8.190 nan 0.000 0.473 446 V N 5.532 125.206 119.914 -0.400 0.000 2.448 446 V HA 0.510 4.630 4.120 -0.000 0.000 0.295 446 V C -0.573 175.247 176.094 -0.457 0.000 1.025 446 V CA -0.497 61.593 62.300 -0.350 0.000 0.859 446 V CB 1.508 33.169 31.823 -0.271 0.000 0.988 446 V HN 0.666 nan 8.190 nan 0.000 0.431 447 F N 3.635 123.498 119.950 -0.145 0.000 2.420 447 F HA 0.712 5.239 4.527 -0.000 0.000 0.342 447 F C 0.072 175.760 175.800 -0.186 0.000 1.113 447 F CA -0.828 57.074 58.000 -0.165 0.000 1.059 447 F CB 1.780 40.694 39.000 -0.144 0.000 1.128 447 F HN 0.158 nan 8.300 nan 0.000 0.475 448 V N 2.218 122.111 119.914 -0.034 0.000 2.638 448 V HA 0.708 4.828 4.120 -0.000 0.000 0.306 448 V C 0.192 176.258 176.094 -0.047 0.000 1.052 448 V CA -0.902 61.366 62.300 -0.054 0.000 0.885 448 V CB 1.688 33.461 31.823 -0.085 0.000 0.999 448 V HN 0.925 nan 8.190 nan 0.000 0.424 449 G N 2.129 110.913 108.800 -0.026 0.000 2.451 449 G HA2 0.693 4.653 3.960 -0.000 0.000 0.303 449 G HA3 0.693 4.653 3.960 -0.000 0.000 0.303 449 G C -0.142 174.764 174.900 0.011 0.000 1.166 449 G CA -0.067 45.025 45.100 -0.013 0.000 0.884 449 G HN 0.835 nan 8.290 nan 0.000 0.514 450 T N -1.902 112.667 114.554 0.024 0.000 2.930 450 T HA 0.396 4.746 4.350 -0.000 0.000 0.290 450 T C 1.112 175.848 174.700 0.060 0.000 1.052 450 T CA -0.793 61.331 62.100 0.040 0.000 1.017 450 T CB 2.247 71.135 68.868 0.034 0.000 1.137 450 T HN 0.449 nan 8.240 nan 0.000 0.511 451 K N 0.656 121.087 120.400 0.053 0.000 2.152 451 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 451 K C 2.036 178.676 176.600 0.067 0.000 1.048 451 K CA 1.819 58.138 56.287 0.053 0.000 0.933 451 K CB -0.388 32.136 32.500 0.039 0.000 0.721 451 K HN 0.697 nan 8.250 nan 0.000 0.447 452 S N -1.159 114.580 115.700 0.065 0.000 2.593 452 S HA 0.149 4.619 4.470 -0.000 0.000 0.217 452 S C 0.964 175.622 174.600 0.096 0.000 0.966 452 S CA 0.199 58.441 58.200 0.070 0.000 0.914 452 S CB 0.331 63.561 63.200 0.051 0.000 0.776 452 S HN 0.479 nan 8.310 nan 0.000 0.523 453 G N 0.880 109.755 108.800 0.125 0.000 2.204 453 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 453 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 453 G C -0.369 174.519 174.900 -0.019 0.000 1.062 453 G CA -0.143 45.065 45.100 0.180 0.000 0.798 453 G HN 0.600 nan 8.290 nan 0.000 0.496 454 K N -0.852 119.530 120.400 -0.030 0.000 2.316 454 K HA 0.727 5.047 4.320 -0.000 0.000 0.251 454 K C -0.705 175.838 176.600 -0.095 0.000 0.934 454 K CA -1.117 55.123 56.287 -0.079 0.000 0.802 454 K CB 2.488 34.964 32.500 -0.039 0.000 1.171 454 K HN 0.137 nan 8.250 nan 0.000 0.426 455 L N 3.053 124.201 121.223 -0.126 0.000 2.295 455 L HA 0.308 4.648 4.340 -0.000 0.000 0.281 455 L C -1.020 175.784 176.870 -0.111 0.000 1.018 455 L CA -0.215 54.561 54.840 -0.106 0.000 0.841 455 L CB 0.575 42.561 42.059 -0.122 0.000 1.218 455 L HN 0.430 nan 8.230 nan 0.000 0.424 456 K N 4.443 124.753 120.400 -0.150 0.000 2.185 456 K HA 0.338 4.658 4.320 -0.000 0.000 0.271 456 K C -0.612 175.779 176.600 -0.349 0.000 1.013 456 K CA -0.347 55.781 56.287 -0.264 0.000 0.943 456 K CB 0.908 33.197 32.500 -0.352 0.000 0.998 456 K HN 0.422 nan 8.250 nan 0.000 0.468 457 K N 3.206 123.280 120.400 -0.542 0.000 2.473 457 K HA 0.321 4.641 4.320 -0.000 0.000 0.246 457 K C -0.719 175.283 176.600 -0.996 0.000 1.011 457 K CA -0.202 55.591 56.287 -0.823 0.000 0.984 457 K CB 0.570 32.529 32.500 -0.901 0.000 1.250 457 K HN 0.395 nan 8.250 nan 0.000 0.454 458 I N 2.508 122.697 120.570 -0.635 0.000 2.336 458 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 458 I C 0.293 176.299 176.117 -0.184 0.000 0.991 458 I CA -0.722 60.336 61.300 -0.404 0.000 1.227 458 I CB 1.124 38.912 38.000 -0.353 0.000 1.366 458 I HN 0.333 nan 8.210 nan 0.000 0.466 459 R N 5.752 126.258 120.500 0.010 0.000 2.229 459 R HA 0.646 4.986 4.340 -0.000 0.000 0.328 459 R C -0.715 175.603 176.300 0.030 0.000 1.009 459 R CA -0.486 55.650 56.100 0.060 0.000 0.864 459 R CB 1.189 31.549 30.300 0.099 0.000 1.085 459 R HN 0.765 nan 8.270 nan 0.000 0.453 460 A N 3.967 126.816 122.820 0.047 0.000 2.276 460 A HA 0.216 4.536 4.320 -0.000 0.000 0.300 460 A C -0.238 177.370 177.584 0.040 0.000 1.235 460 A CA -0.582 51.491 52.037 0.060 0.000 0.867 460 A CB 0.641 19.719 19.000 0.131 0.000 1.137 460 A HN 0.872 nan 8.150 nan 0.000 0.527 461 D N 1.653 122.061 120.400 0.012 0.000 2.423 461 D HA 0.314 4.954 4.640 -0.000 0.000 0.208 461 D C 1.185 177.468 176.300 -0.028 0.000 1.068 461 D CA 1.496 55.494 54.000 -0.003 0.000 0.860 461 D CB 0.515 41.319 40.800 0.006 0.000 0.992 461 D HN 1.141 nan 8.370 nan 0.000 0.504 462 G N 1.651 110.434 108.800 -0.029 0.000 2.828 462 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.463 462 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.463 462 G C -2.615 172.265 174.900 -0.034 0.000 1.394 462 G CA -1.076 43.975 45.100 -0.082 0.000 0.862 462 G HN -0.038 nan 8.290 nan 0.000 0.540 463 P HA 0.185 nan 4.420 nan 0.000 0.266 463 P C -1.471 175.817 177.300 -0.021 0.000 1.193 463 P CA -0.228 62.849 63.100 -0.038 0.000 0.770 463 P CB 0.226 31.884 31.700 -0.069 0.000 0.836 464 P HA -0.012 nan 4.420 nan 0.000 0.245 464 P C 1.089 178.392 177.300 0.005 0.000 1.206 464 P CA 0.893 63.977 63.100 -0.027 0.000 0.781 464 P CB 0.035 31.700 31.700 -0.059 0.000 0.994 465 H N 0.176 119.233 119.070 -0.022 0.000 2.284 465 H HA 0.041 4.597 4.556 -0.000 0.000 0.304 465 H C 1.683 177.012 175.328 0.002 0.000 1.069 465 H CA 2.121 58.165 56.048 -0.006 0.000 1.327 465 H CB -0.341 29.421 29.762 0.001 0.000 1.387 465 H HN 0.195 nan 8.280 nan 0.000 0.498 466 G N -1.145 107.743 108.800 0.146 0.000 3.138 466 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.247 466 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.247 466 G C 0.397 175.329 174.900 0.054 0.000 1.642 466 G CA 0.307 45.454 45.100 0.079 0.000 1.087 466 G HN 0.849 nan 8.290 nan 0.000 0.558 467 G N -1.104 107.729 108.800 0.055 0.000 2.682 467 G HA2 0.691 4.651 3.960 -0.000 0.000 0.300 467 G HA3 0.691 4.651 3.960 -0.000 0.000 0.300 467 G C -1.250 173.644 174.900 -0.010 0.000 1.391 467 G CA 0.356 45.467 45.100 0.018 0.000 0.990 467 G HN 1.324 nan 8.290 nan 0.000 0.501 468 V N 2.152 122.019 119.914 -0.078 0.000 2.328 468 V HA 0.298 4.418 4.120 -0.000 0.000 0.278 468 V C 0.528 176.594 176.094 -0.047 0.000 1.021 468 V CA -0.616 61.639 62.300 -0.075 0.000 0.838 468 V CB 1.391 33.126 31.823 -0.146 0.000 0.999 468 V HN 0.794 nan 8.190 nan 0.000 0.447 469 Q N 3.973 123.731 119.800 -0.070 0.000 2.489 469 Q HA 0.006 4.346 4.340 -0.000 0.000 0.231 469 Q C 0.806 176.706 176.000 -0.167 0.000 1.273 469 Q CA -0.150 55.507 55.803 -0.244 0.000 0.898 469 Q CB 0.190 28.735 28.738 -0.322 0.000 1.545 469 Q HN 0.945 nan 8.270 nan 0.000 0.538 470 Y N 1.613 121.839 120.300 -0.124 0.000 2.439 470 Y HA 0.162 4.712 4.550 -0.000 0.000 0.292 470 Y C 0.125 176.004 175.900 -0.036 0.000 1.130 470 Y CA 0.368 58.419 58.100 -0.083 0.000 1.254 470 Y CB 0.292 38.689 38.460 -0.105 0.000 1.000 470 Y HN 0.431 nan 8.280 nan 0.000 0.554 471 E N 0.250 120.247 120.200 -0.339 0.000 2.352 471 E HA 0.418 4.768 4.350 -0.000 0.000 0.280 471 E C -1.785 174.685 176.600 -0.217 0.000 0.930 471 E CA -0.810 55.505 56.400 -0.142 0.000 0.765 471 E CB 1.803 31.517 29.700 0.023 0.000 1.219 471 E HN 0.246 nan 8.360 nan 0.000 0.434 472 M N 3.264 122.803 119.600 -0.101 0.000 2.598 472 M HA 0.586 5.066 4.480 -0.000 0.000 0.317 472 M C -1.652 174.611 176.300 -0.061 0.000 1.179 472 M CA -0.862 54.379 55.300 -0.098 0.000 0.936 472 M CB 1.973 34.534 32.600 -0.065 0.000 1.713 472 M HN 0.369 nan 8.290 nan 0.000 0.460 473 V N 1.785 121.656 119.914 -0.071 0.000 2.668 473 V HA 0.297 4.417 4.120 -0.000 0.000 0.304 473 V C -0.697 175.349 176.094 -0.080 0.000 1.071 473 V CA -0.837 61.429 62.300 -0.057 0.000 0.894 473 V CB 2.064 33.848 31.823 -0.065 0.000 1.008 473 V HN 0.865 nan 8.190 nan 0.000 0.425 474 S N 2.868 118.536 115.700 -0.053 0.000 2.422 474 S HA 0.290 4.760 4.470 -0.000 0.000 0.283 474 S C 0.912 175.444 174.600 -0.112 0.000 1.163 474 S CA -0.401 57.759 58.200 -0.067 0.000 1.054 474 S CB 1.243 64.433 63.200 -0.017 0.000 0.967 474 S HN 0.539 nan 8.310 nan 0.000 0.499 475 V N 3.535 123.283 119.914 -0.277 0.000 2.492 475 V HA 0.152 4.272 4.120 -0.000 0.000 0.241 475 V C 0.032 175.865 176.094 -0.435 0.000 1.041 475 V CA 0.960 62.962 62.300 -0.497 0.000 1.057 475 V CB -0.287 30.971 31.823 -0.942 0.000 0.711 475 V HN 0.694 nan 8.190 nan 0.000 0.468 476 F N 1.522 121.478 119.950 0.011 0.000 2.334 476 F HA 0.486 5.013 4.527 -0.000 0.000 0.367 476 F C 1.045 176.862 175.800 0.028 0.000 1.115 476 F CA -1.562 56.449 58.000 0.018 0.000 1.116 476 F CB 0.782 39.789 39.000 0.012 0.000 1.230 476 F HN -0.116 nan 8.300 nan 0.000 0.484 477 K N 1.691 122.211 120.400 0.200 0.000 2.616 477 K HA -0.086 4.234 4.320 -0.000 0.000 0.192 477 K C 0.906 177.569 176.600 0.105 0.000 1.031 477 K CA 0.546 56.905 56.287 0.120 0.000 1.004 477 K CB -0.362 32.198 32.500 0.101 0.000 0.810 477 K HN 0.668 nan 8.250 nan 0.000 0.497 478 D N -1.399 119.078 120.400 0.128 0.000 2.469 478 D HA 0.045 4.685 4.640 -0.000 0.000 0.240 478 D C 0.810 177.163 176.300 0.089 0.000 1.087 478 D CA 0.648 54.703 54.000 0.091 0.000 0.876 478 D CB 0.363 41.209 40.800 0.077 0.000 1.160 478 D HN 0.092 nan 8.370 nan 0.000 0.497 479 G N 0.750 109.626 108.800 0.128 0.000 2.309 479 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.183 479 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.183 479 G C -0.377 174.593 174.900 0.116 0.000 1.063 479 G CA -0.076 45.093 45.100 0.115 0.000 0.768 479 G HN 0.285 nan 8.290 nan 0.000 0.490 480 S N 1.336 117.133 115.700 0.161 0.000 2.499 480 S HA 0.584 5.054 4.470 -0.000 0.000 0.279 480 S C -1.962 172.720 174.600 0.136 0.000 1.219 480 S CA -0.993 57.250 58.200 0.072 0.000 1.062 480 S CB 1.596 64.735 63.200 -0.102 0.000 0.978 480 S HN 0.262 nan 8.310 nan 0.000 0.489 481 P HA 0.065 nan 4.420 nan 0.000 0.262 481 P C -0.512 176.863 177.300 0.124 0.000 1.182 481 P CA 0.254 63.407 63.100 0.088 0.000 0.761 481 P CB 0.124 31.847 31.700 0.039 0.000 0.795 482 I N 3.726 124.411 120.570 0.191 0.000 2.529 482 I HA 0.078 4.248 4.170 -0.000 0.000 0.284 482 I C 0.822 177.005 176.117 0.110 0.000 1.082 482 I CA -0.332 61.103 61.300 0.226 0.000 1.406 482 I CB 0.324 38.441 38.000 0.195 0.000 1.405 482 I HN 0.171 nan 8.210 nan 0.000 0.548 483 L N 6.358 127.639 121.223 0.097 0.000 2.399 483 L HA 0.320 4.660 4.340 -0.000 0.000 0.266 483 L C 1.609 178.506 176.870 0.045 0.000 1.114 483 L CA -0.179 54.697 54.840 0.059 0.000 0.804 483 L CB 0.733 42.828 42.059 0.060 0.000 1.146 483 L HN 0.511 nan 8.230 nan 0.000 0.451 484 R N 0.274 120.794 120.500 0.034 0.000 2.174 484 R HA -0.155 4.185 4.340 -0.000 0.000 0.253 484 R C -0.247 176.091 176.300 0.063 0.000 1.165 484 R CA 1.084 57.211 56.100 0.045 0.000 0.984 484 R CB -0.305 30.032 30.300 0.062 0.000 0.873 484 R HN 0.617 nan 8.270 nan 0.000 0.456 485 D N 0.282 120.716 120.400 0.055 0.000 2.264 485 D HA 0.277 4.917 4.640 -0.000 0.000 0.250 485 D C 0.058 176.380 176.300 0.036 0.000 1.113 485 D CA 0.526 54.579 54.000 0.088 0.000 0.871 485 D CB 1.295 42.148 40.800 0.088 0.000 1.167 485 D HN -0.003 nan 8.370 nan 0.000 0.447 486 M N 1.144 120.749 119.600 0.008 0.000 2.413 486 M HA 0.588 5.068 4.480 -0.000 0.000 0.287 486 M C -1.253 174.946 176.300 -0.168 0.000 1.186 486 M CA -0.717 54.514 55.300 -0.115 0.000 0.927 486 M CB 2.642 35.099 32.600 -0.238 0.000 1.715 486 M HN 0.396 nan 8.290 nan 0.000 0.478 487 A N 1.658 124.357 122.820 -0.201 0.000 2.587 487 A HA 0.935 5.255 4.320 -0.000 0.000 0.293 487 A C -1.732 175.708 177.584 -0.240 0.000 1.087 487 A CA -0.623 51.285 52.037 -0.216 0.000 0.692 487 A CB 1.229 20.267 19.000 0.064 0.000 1.291 487 A HN 0.646 nan 8.150 nan 0.000 0.407 488 F N 0.948 120.941 119.950 0.072 0.000 2.362 488 F HA 0.556 5.083 4.527 -0.000 0.000 0.311 488 F C 1.625 177.522 175.800 0.161 0.000 1.161 488 F CA 0.442 58.435 58.000 -0.012 0.000 1.085 488 F CB 0.951 39.864 39.000 -0.145 0.000 1.311 488 F HN 0.682 nan 8.300 nan 0.000 0.524 489 S N 0.474 116.368 115.700 0.322 0.000 2.617 489 S HA 0.201 4.671 4.470 -0.000 0.000 0.259 489 S C 1.228 175.966 174.600 0.230 0.000 1.301 489 S CA -0.567 57.825 58.200 0.320 0.000 0.984 489 S CB 0.172 63.531 63.200 0.266 0.000 0.954 489 S HN 0.541 nan 8.310 nan 0.000 0.572 490 I N 0.819 121.505 120.570 0.193 0.000 2.118 490 I HA -0.200 3.970 4.170 -0.000 0.000 0.241 490 I C 0.920 177.096 176.117 0.099 0.000 1.070 490 I CA 1.614 63.002 61.300 0.147 0.000 1.327 490 I CB -0.655 37.425 38.000 0.134 0.000 1.034 490 I HN 0.590 nan 8.210 nan 0.000 0.405 491 N N 1.086 119.836 118.700 0.082 0.000 2.839 491 N HA 0.068 4.808 4.740 -0.000 0.000 0.314 491 N C -0.105 175.395 175.510 -0.016 0.000 1.449 491 N CA -0.030 53.045 53.050 0.042 0.000 1.050 491 N CB 0.524 39.044 38.487 0.055 0.000 1.364 491 N HN 0.165 nan 8.380 nan 0.000 0.512 492 Q N -1.544 118.201 119.800 -0.091 0.000 2.223 492 Q HA -0.280 4.060 4.340 -0.000 0.000 0.150 492 Q C 1.241 177.079 176.000 -0.270 0.000 0.715 492 Q CA 1.285 56.887 55.803 -0.335 0.000 1.376 492 Q CB -1.714 26.779 28.738 -0.407 0.000 1.373 492 Q HN 0.486 nan 8.270 nan 0.000 0.940 493 L N -0.618 120.511 121.223 -0.157 0.000 2.129 493 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 493 L C 1.113 177.663 176.870 -0.533 0.000 1.087 493 L CA 1.797 56.450 54.840 -0.312 0.000 0.757 493 L CB -0.240 41.659 42.059 -0.266 0.000 0.896 493 L HN 0.173 nan 8.230 nan 0.000 0.434 494 Y N -2.040 118.136 120.300 -0.206 0.000 2.659 494 Y HA 0.620 5.170 4.550 -0.000 0.000 0.333 494 Y C -0.455 175.236 175.900 -0.348 0.000 1.064 494 Y CA -1.189 56.716 58.100 -0.324 0.000 1.141 494 Y CB 1.783 39.966 38.460 -0.461 0.000 1.316 494 Y HN -0.326 nan 8.280 nan 0.000 0.509 495 L N 0.990 122.014 121.223 -0.332 0.000 2.439 495 L HA 0.519 4.859 4.340 -0.000 0.000 0.270 495 L C -2.026 174.557 176.870 -0.479 0.000 0.972 495 L CA -0.638 53.915 54.840 -0.478 0.000 0.836 495 L CB 0.795 42.411 42.059 -0.739 0.000 1.255 495 L HN 0.461 nan 8.230 nan 0.000 0.404 496 Y N 4.479 124.629 120.300 -0.251 0.000 2.359 496 Y HA 0.551 5.101 4.550 -0.000 0.000 0.334 496 Y C 0.091 175.871 175.900 -0.200 0.000 1.058 496 Y CA -0.240 57.744 58.100 -0.194 0.000 1.244 496 Y CB 1.099 39.468 38.460 -0.152 0.000 1.187 496 Y HN 0.328 nan 8.280 nan 0.000 0.510 497 V N 5.673 125.568 119.914 -0.032 0.000 2.656 497 V HA 0.600 4.720 4.120 -0.000 0.000 0.307 497 V C -0.316 175.863 176.094 0.141 0.000 1.051 497 V CA -1.039 61.247 62.300 -0.023 0.000 0.893 497 V CB 1.740 33.475 31.823 -0.146 0.000 0.999 497 V HN 0.791 nan 8.190 nan 0.000 0.426 498 M N 2.788 122.510 119.600 0.203 0.000 2.433 498 M HA 0.853 5.333 4.480 -0.000 0.000 0.290 498 M C -0.427 175.947 176.300 0.124 0.000 1.173 498 M CA -0.328 55.087 55.300 0.191 0.000 0.905 498 M CB 2.375 34.963 32.600 -0.021 0.000 1.692 498 M HN 0.599 nan 8.290 nan 0.000 0.462 499 S N 0.591 116.144 115.700 -0.246 0.000 2.768 499 S HA 0.491 4.961 4.470 -0.000 0.000 0.300 499 S C 0.487 175.041 174.600 -0.077 0.000 1.122 499 S CA -0.613 57.370 58.200 -0.361 0.000 0.995 499 S CB 1.254 63.826 63.200 -1.046 0.000 1.195 499 S HN 0.851 nan 8.310 nan 0.000 0.547 500 E N 0.408 120.581 120.200 -0.045 0.000 2.160 500 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 500 E C 1.228 177.901 176.600 0.122 0.000 0.991 500 E CA 1.075 57.514 56.400 0.066 0.000 0.810 500 E CB -0.105 29.597 29.700 0.003 0.000 0.742 500 E HN 0.518 nan 8.360 nan 0.000 0.466 501 R N -0.570 119.968 120.500 0.064 0.000 2.565 501 R HA 0.226 4.566 4.340 -0.000 0.000 0.347 501 R C 0.161 176.580 176.300 0.197 0.000 1.010 501 R CA -0.012 56.144 56.100 0.094 0.000 1.126 501 R CB 1.029 31.321 30.300 -0.012 0.000 1.331 501 R HN -0.030 nan 8.270 nan 0.000 0.552 502 Q N 0.457 120.305 119.800 0.080 0.000 2.379 502 Q HA 0.461 4.801 4.340 -0.000 0.000 0.278 502 Q C -1.541 174.356 176.000 -0.172 0.000 1.068 502 Q CA -0.801 54.920 55.803 -0.136 0.000 0.816 502 Q CB 3.560 32.105 28.738 -0.321 0.000 1.387 502 Q HN -0.092 nan 8.270 nan 0.000 0.413 503 V N 1.595 121.421 119.914 -0.146 0.000 2.577 503 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 503 V C -0.739 175.384 176.094 0.047 0.000 1.042 503 V CA -0.495 61.759 62.300 -0.077 0.000 0.872 503 V CB 2.083 33.777 31.823 -0.216 0.000 0.998 503 V HN 0.814 nan 8.190 nan 0.000 0.423 504 T N 3.919 118.526 114.554 0.089 0.000 2.861 504 T HA 0.485 4.835 4.350 -0.000 0.000 0.287 504 T C -0.313 174.344 174.700 -0.070 0.000 1.003 504 T CA -0.662 61.453 62.100 0.026 0.000 0.977 504 T CB 1.922 70.787 68.868 -0.006 0.000 0.996 504 T HN 0.598 nan 8.240 nan 0.000 0.448 505 R N 2.632 123.057 120.500 -0.125 0.000 2.287 505 R HA 0.488 4.828 4.340 -0.000 0.000 0.327 505 R C -1.053 175.071 176.300 -0.293 0.000 1.109 505 R CA -0.301 55.595 56.100 -0.340 0.000 1.013 505 R CB -0.091 29.943 30.300 -0.444 0.000 1.126 505 R HN 0.448 nan 8.270 nan 0.000 0.503 506 V N 7.318 127.007 119.914 -0.376 0.000 2.407 506 V HA 0.338 4.458 4.120 -0.000 0.000 0.278 506 V C -1.820 174.117 176.094 -0.262 0.000 1.037 506 V CA -1.899 60.111 62.300 -0.483 0.000 0.900 506 V CB 1.279 32.780 31.823 -0.537 0.000 0.983 506 V HN 0.740 nan 8.190 nan 0.000 0.459 507 P HA 0.160 nan 4.420 nan 0.000 0.277 507 P C 0.984 178.127 177.300 -0.261 0.000 1.240 507 P CA -0.168 62.730 63.100 -0.336 0.000 0.798 507 P CB 1.545 33.039 31.700 -0.344 0.000 0.979 508 V N -0.225 119.512 119.914 -0.294 0.000 2.358 508 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 508 V C 0.813 176.797 176.094 -0.183 0.000 1.047 508 V CA 1.556 63.782 62.300 -0.125 0.000 1.035 508 V CB -1.731 30.011 31.823 -0.135 0.000 0.658 508 V HN 0.631 nan 8.190 nan 0.000 0.452 509 E N 1.239 121.236 120.200 -0.338 0.000 2.195 509 E HA 0.644 4.994 4.350 -0.000 0.000 0.271 509 E C -0.310 176.212 176.600 -0.130 0.000 0.923 509 E CA -0.012 56.241 56.400 -0.244 0.000 0.790 509 E CB 1.803 31.289 29.700 -0.357 0.000 1.155 509 E HN 0.364 nan 8.360 nan 0.000 0.402 510 S N 0.943 116.609 115.700 -0.056 0.000 2.694 510 S HA 0.151 4.621 4.470 -0.000 0.000 0.232 510 S C 0.376 174.919 174.600 -0.096 0.000 1.017 510 S CA -0.673 57.488 58.200 -0.066 0.000 1.139 510 S CB -1.074 62.103 63.200 -0.038 0.000 1.247 510 S HN 0.644 nan 8.310 nan 0.000 0.452 511 c N 1.382 119.964 118.600 -0.029 0.000 2.400 511 c HA -0.050 4.520 4.570 -0.000 0.000 0.291 511 c C 2.506 176.603 174.090 0.011 0.000 1.372 511 c CA 0.827 57.196 56.329 0.067 0.000 1.800 511 c CB -1.352 41.234 42.510 0.128 0.000 1.869 511 c HN 0.668 nan 8.230 nan 0.000 0.533 512 E N 1.471 121.640 120.200 -0.051 0.000 2.097 512 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 512 E C 2.294 178.849 176.600 -0.076 0.000 1.000 512 E CA 1.783 58.155 56.400 -0.046 0.000 0.804 512 E CB -0.615 29.050 29.700 -0.058 0.000 0.740 512 E HN 0.889 nan 8.360 nan 0.000 0.454 513 Q N -0.453 119.220 119.800 -0.211 0.000 2.197 513 Q HA -0.197 4.143 4.340 -0.000 0.000 0.207 513 Q C -0.055 175.800 176.000 -0.242 0.000 0.984 513 Q CA 1.138 56.766 55.803 -0.290 0.000 0.869 513 Q CB -0.525 27.939 28.738 -0.457 0.000 0.906 513 Q HN 0.285 nan 8.270 nan 0.000 0.426 514 Y N 2.605 122.942 120.300 0.061 0.000 2.504 514 Y HA 0.149 4.699 4.550 -0.000 0.000 0.351 514 Y C 1.472 177.456 175.900 0.140 0.000 0.988 514 Y CA -0.022 58.126 58.100 0.079 0.000 1.239 514 Y CB 0.837 39.341 38.460 0.073 0.000 1.128 514 Y HN 0.166 nan 8.280 nan 0.000 0.525 515 T N -1.991 112.714 114.554 0.251 0.000 2.852 515 T HA 0.001 4.351 4.350 -0.000 0.000 0.256 515 T C 0.790 175.685 174.700 0.324 0.000 1.038 515 T CA 0.855 63.094 62.100 0.231 0.000 1.141 515 T CB -0.328 68.622 68.868 0.136 0.000 0.869 515 T HN 0.544 nan 8.240 nan 0.000 0.439 516 T N -1.171 113.464 114.554 0.135 0.000 2.943 516 T HA 0.408 4.758 4.350 -0.000 0.000 0.284 516 T C 1.305 175.622 174.700 -0.638 0.000 1.015 516 T CA -0.488 61.523 62.100 -0.150 0.000 1.042 516 T CB 1.294 70.079 68.868 -0.138 0.000 1.055 516 T HN 0.284 nan 8.240 nan 0.000 0.500 517 C N 1.722 120.080 119.300 -1.571 0.000 2.413 517 C HA 0.064 4.524 4.460 -0.000 0.000 0.277 517 C C 2.936 177.535 174.990 -0.653 0.000 1.265 517 C CA 1.399 59.464 59.018 -1.589 0.000 1.752 517 C CB -1.943 24.691 27.740 -1.844 0.000 1.998 517 C HN 1.061 nan 8.230 nan 0.000 0.489 518 G N -1.209 107.315 108.800 -0.459 0.000 2.559 518 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 518 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 518 G C 1.669 176.448 174.900 -0.203 0.000 1.126 518 G CA 0.809 45.749 45.100 -0.267 0.000 0.778 518 G HN 0.765 nan 8.290 nan 0.000 0.543 519 E N -1.226 118.857 120.200 -0.193 0.000 2.372 519 E HA 0.023 4.373 4.350 -0.000 0.000 0.201 519 E C 2.133 178.582 176.600 -0.252 0.000 0.938 519 E CA -0.049 56.270 56.400 -0.135 0.000 0.944 519 E CB 0.122 29.833 29.700 0.018 0.000 0.937 519 E HN 0.301 nan 8.360 nan 0.000 0.495 520 c N 0.588 119.080 118.600 -0.179 0.000 2.496 520 c HA 0.016 4.586 4.570 -0.000 0.000 0.281 520 c C 2.028 175.976 174.090 -0.237 0.000 1.250 520 c CA 0.479 56.735 56.329 -0.122 0.000 1.717 520 c CB -0.915 41.709 42.510 0.190 0.000 2.082 520 c HN 0.352 nan 8.230 nan 0.000 0.472 521 L N 1.303 122.415 121.223 -0.186 0.000 2.713 521 L HA 0.081 4.421 4.340 -0.000 0.000 0.245 521 L C 1.889 178.635 176.870 -0.207 0.000 1.169 521 L CA 0.221 54.957 54.840 -0.173 0.000 0.962 521 L CB -0.418 41.567 42.059 -0.124 0.000 1.161 521 L HN 0.397 nan 8.230 nan 0.000 0.427 522 S N -1.449 114.091 115.700 -0.267 0.000 2.539 522 S HA -0.032 4.438 4.470 -0.000 0.000 0.226 522 S C 2.024 176.470 174.600 -0.257 0.000 1.054 522 S CA 0.641 58.703 58.200 -0.230 0.000 0.910 522 S CB 0.454 63.534 63.200 -0.201 0.000 0.818 522 S HN 0.576 nan 8.310 nan 0.000 0.490 523 S N 1.111 116.566 115.700 -0.408 0.000 2.414 523 S HA 0.239 4.709 4.470 -0.000 0.000 0.227 523 S C 1.676 176.100 174.600 -0.294 0.000 1.022 523 S CA 0.880 58.857 58.200 -0.372 0.000 0.958 523 S CB -0.553 62.230 63.200 -0.695 0.000 0.797 523 S HN 0.827 nan 8.310 nan 0.000 0.493 524 G N 1.612 110.189 108.800 -0.372 0.000 2.147 524 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 524 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 524 G C -0.299 174.156 174.900 -0.742 0.000 1.005 524 G CA 0.136 44.984 45.100 -0.420 0.000 0.713 524 G HN 0.655 nan 8.290 nan 0.000 0.515 525 D N 0.564 120.464 120.400 -0.833 0.000 2.359 525 D HA 0.379 5.019 4.640 -0.000 0.000 0.250 525 D C -0.398 175.499 176.300 -0.671 0.000 1.264 525 D CA -2.118 51.228 54.000 -1.091 0.000 0.911 525 D CB 0.864 41.385 40.800 -0.466 0.000 1.056 525 D HN 0.167 nan 8.370 nan 0.000 0.499 526 P HA -0.124 nan 4.420 nan 0.000 0.224 526 P C 0.259 177.314 177.300 -0.409 0.000 1.142 526 P CA 1.147 63.798 63.100 -0.748 0.000 0.778 526 P CB 0.097 31.333 31.700 -0.773 0.000 0.764 527 H N -2.457 116.489 119.070 -0.207 0.000 2.448 527 H HA 0.087 4.643 4.556 -0.000 0.000 0.292 527 H C 0.463 175.746 175.328 -0.076 0.000 1.035 527 H CA 0.151 56.061 56.048 -0.230 0.000 1.349 527 H CB -0.633 28.877 29.762 -0.419 0.000 1.425 527 H HN 0.081 nan 8.280 nan 0.000 0.539 528 c N 2.964 121.573 118.600 0.014 0.000 2.416 528 c HA 0.540 5.110 4.570 -0.000 0.000 0.355 528 c C 1.303 175.416 174.090 0.038 0.000 1.211 528 c CA -0.861 55.494 56.329 0.043 0.000 1.699 528 c CB -0.849 41.703 42.510 0.070 0.000 2.310 528 c HN 0.513 nan 8.230 nan 0.000 0.539 529 G N 2.712 111.555 108.800 0.072 0.000 2.388 529 G HA2 0.448 4.408 3.960 -0.000 0.000 0.330 529 G HA3 0.448 4.408 3.960 -0.000 0.000 0.330 529 G C -0.649 174.340 174.900 0.148 0.000 1.142 529 G CA -0.417 44.740 45.100 0.094 0.000 0.908 529 G HN 0.874 nan 8.290 nan 0.000 0.473 530 W N 3.290 124.586 121.300 -0.007 0.000 2.304 530 W HA 0.371 5.031 4.660 -0.000 0.000 0.313 530 W C -0.291 176.239 176.519 0.017 0.000 1.323 530 W CA -1.103 56.245 57.345 0.005 0.000 1.223 530 W CB 1.153 30.611 29.460 -0.002 0.000 1.237 530 W HN 0.417 nan 8.180 nan 0.000 0.535 531 c N 6.412 124.673 118.600 -0.566 0.000 2.463 531 c HA 0.523 5.093 4.570 -0.000 0.000 0.380 531 c C 1.364 175.196 174.090 -0.429 0.000 1.264 531 c CA 0.246 56.338 56.329 -0.396 0.000 2.161 531 c CB 0.206 42.527 42.510 -0.316 0.000 2.515 531 c HN 0.857 nan 8.230 nan 0.000 0.565 532 A N 3.963 126.688 122.820 -0.158 0.000 1.861 532 A HA 0.112 4.432 4.320 -0.000 0.000 0.214 532 A C 1.057 178.595 177.584 -0.076 0.000 1.322 532 A CA 0.578 52.568 52.037 -0.078 0.000 0.601 532 A CB -0.941 18.052 19.000 -0.011 0.000 0.966 532 A HN 0.771 nan 8.150 nan 0.000 0.471 533 L N 0.089 121.287 121.223 -0.043 0.000 2.650 533 L HA 0.166 4.506 4.340 -0.000 0.000 0.239 533 L C 0.658 177.420 176.870 -0.180 0.000 1.412 533 L CA 0.746 55.533 54.840 -0.089 0.000 1.219 533 L CB -0.996 41.011 42.059 -0.086 0.000 1.534 533 L HN 0.589 nan 8.230 nan 0.000 0.430 534 H N -0.799 118.184 119.070 -0.145 0.000 2.707 534 H HA 0.102 4.658 4.556 -0.000 0.000 0.180 534 H C 0.241 175.448 175.328 -0.202 0.000 0.931 534 H CA 0.039 55.993 56.048 -0.158 0.000 0.818 534 H CB 0.742 30.398 29.762 -0.176 0.000 0.876 534 H HN 0.243 nan 8.280 nan 0.000 0.533 535 N N 1.195 119.779 118.700 -0.193 0.000 2.738 535 N HA -0.156 4.584 4.740 -0.000 0.000 0.249 535 N C -0.127 175.135 175.510 -0.413 0.000 1.047 535 N CA 1.529 54.395 53.050 -0.307 0.000 0.707 535 N CB -1.357 37.096 38.487 -0.056 0.000 0.937 535 N HN 0.581 nan 8.380 nan 0.000 0.545 536 M N -3.875 115.329 119.600 -0.659 0.000 2.644 536 M HA 0.466 4.946 4.480 -0.000 0.000 0.273 536 M C -0.902 175.104 176.300 -0.490 0.000 1.253 536 M CA -0.970 54.063 55.300 -0.446 0.000 0.852 536 M CB 2.171 34.676 32.600 -0.157 0.000 1.708 536 M HN -0.005 nan 8.290 nan 0.000 0.471 537 c N 2.756 121.327 118.600 -0.047 0.000 2.285 537 c HA 0.902 5.472 4.570 -0.000 0.000 0.335 537 c C 0.222 174.337 174.090 0.042 0.000 1.267 537 c CA 0.653 57.063 56.329 0.136 0.000 1.762 537 c CB -0.287 42.479 42.510 0.425 0.000 2.365 537 c HN 0.970 nan 8.230 nan 0.000 0.527 538 S N 5.696 121.392 115.700 -0.006 0.000 2.790 538 S HA 0.641 5.111 4.470 -0.000 0.000 0.292 538 S C -0.699 173.889 174.600 -0.020 0.000 1.197 538 S CA -0.989 57.187 58.200 -0.041 0.000 0.851 538 S CB 0.785 63.912 63.200 -0.122 0.000 1.217 538 S HN 1.050 nan 8.310 nan 0.000 0.526 539 R N 0.010 120.485 120.500 -0.042 0.000 2.637 539 R HA 0.523 4.862 4.340 -0.000 0.000 0.269 539 R C 1.156 177.468 176.300 0.019 0.000 1.089 539 R CA -0.584 55.511 56.100 -0.008 0.000 1.177 539 R CB 0.270 30.539 30.300 -0.051 0.000 1.091 539 R HN 0.724 nan 8.270 nan 0.000 0.540 540 R N 0.698 121.254 120.500 0.093 0.000 2.070 540 R HA -0.155 4.185 4.340 -0.000 0.000 0.233 540 R C 1.510 177.844 176.300 0.057 0.000 1.137 540 R CA 2.507 58.661 56.100 0.090 0.000 0.945 540 R CB -0.536 29.853 30.300 0.148 0.000 0.845 540 R HN 0.946 nan 8.270 nan 0.000 0.430 541 D N 0.648 121.094 120.400 0.076 0.000 2.263 541 D HA -0.185 4.455 4.640 -0.000 0.000 0.208 541 D C -0.031 176.278 176.300 0.015 0.000 0.971 541 D CA 0.961 54.992 54.000 0.051 0.000 0.867 541 D CB -0.188 40.654 40.800 0.071 0.000 0.929 541 D HN 0.462 nan 8.370 nan 0.000 0.492 542 K N 0.264 120.655 120.400 -0.015 0.000 2.778 542 K HA 0.463 4.783 4.320 -0.000 0.000 0.238 542 K C -0.516 176.018 176.600 -0.111 0.000 1.233 542 K CA -0.744 55.510 56.287 -0.056 0.000 1.195 542 K CB 0.275 32.728 32.500 -0.078 0.000 1.743 542 K HN 0.165 nan 8.250 nan 0.000 0.418 543 c N 0.000 118.570 118.600 -0.050 0.000 2.653 543 c HA 0.000 4.570 4.570 -0.000 0.000 0.325 543 c CA 0.000 56.311 56.329 -0.031 0.000 1.963 543 c CB 0.000 42.460 42.510 -0.083 0.000 2.134 543 c HN 0.000 nan 8.230 nan 0.000 0.568