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 3djd_1_A DATA FIRST_RESID 3 DATA SEQUENCE VTKSSSLLIV GAGTWGTSTA LHLARRGYTN VTVLDPYPVP SAISAGNDVN DATA SEQUENCE KVISSXXXXX XXXXXEVNEI LAEEAFNGWK NDPLFKPYYH DTGLLXSACS DATA SEQUENCE QEGLDRLXXX XXXXEDPNLV ELTRPEQFRK LAPEGVLQGD FPGWKGYFAR DATA SEQUENCE SGAGWAHARN ALVAAAREAQ RXGVKFVTGT PQGRVVTLIF ENNDVKGAVT DATA SEQUENCE ADGKIWRAER TFLCAGASAG QFLDFKNQLR PTAWTLVHIA LKPEERALYK DATA SEQUENCE NIPVIFNIER GFFFEPDEER GEIKICDEHP GYTNXVQSAD GTXXSIPFEK DATA SEQUENCE TQIPKEAETR VRALLKETXP QLADRPFSFA RICWCADTAN REFLIDRHPQ DATA SEQUENCE YHSLVLGCGA SGRGFKYLPS IGNLIVDAXE GKVPQKIHEL IKWNPDIAAN DATA SEQUENCE RNWRDTLGRF GGPNRVXDFH DVKEWTNVQY RDISK 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.168 176.094 0.124 0.000 1.182 3 V CA 0.000 62.366 62.300 0.110 0.000 1.235 3 V CB 0.000 31.894 31.823 0.118 0.000 1.184 4 T N 0.914 115.547 114.554 0.132 0.000 2.888 4 T HA 0.561 4.911 4.350 -0.000 0.000 0.288 4 T C 0.640 175.387 174.700 0.079 0.000 1.063 4 T CA -0.776 61.368 62.100 0.074 0.000 1.010 4 T CB 2.184 71.074 68.868 0.037 0.000 1.214 4 T HN 0.351 nan 8.240 nan 0.000 0.533 5 K N 0.812 121.144 120.400 -0.113 0.000 2.280 5 K HA -0.023 4.297 4.320 -0.000 0.000 0.202 5 K C 2.133 178.736 176.600 0.005 0.000 1.047 5 K CA 1.493 57.602 56.287 -0.297 0.000 0.942 5 K CB -0.559 31.713 32.500 -0.379 0.000 0.739 5 K HN 0.783 nan 8.250 nan 0.000 0.457 6 S N -0.555 115.171 115.700 0.043 0.000 2.556 6 S HA 0.127 4.597 4.470 -0.000 0.000 0.216 6 S C 0.599 175.260 174.600 0.103 0.000 0.970 6 S CA -0.539 57.703 58.200 0.071 0.000 0.912 6 S CB 0.142 63.363 63.200 0.035 0.000 0.790 6 S HN -0.082 nan 8.310 nan 0.000 0.504 7 S N 2.912 118.697 115.700 0.142 0.000 2.552 7 S HA 0.179 4.649 4.470 -0.000 0.000 0.289 7 S C 0.353 175.025 174.600 0.120 0.000 1.304 7 S CA -0.171 58.105 58.200 0.126 0.000 1.063 7 S CB 0.721 64.009 63.200 0.146 0.000 0.848 7 S HN 0.565 nan 8.310 nan 0.000 0.499 8 S N 3.226 118.977 115.700 0.086 0.000 2.515 8 S HA 0.212 4.682 4.470 -0.000 0.000 0.285 8 S C -0.437 174.208 174.600 0.074 0.000 1.265 8 S CA -0.355 57.893 58.200 0.080 0.000 1.079 8 S CB -0.652 62.592 63.200 0.073 0.000 0.877 8 S HN 0.492 nan 8.310 nan 0.000 0.493 9 L N 5.113 126.379 121.223 0.072 0.000 2.365 9 L HA 0.668 5.007 4.340 -0.000 0.000 0.273 9 L C -0.705 176.200 176.870 0.057 0.000 1.000 9 L CA -1.025 53.865 54.840 0.084 0.000 0.819 9 L CB 1.759 43.871 42.059 0.089 0.000 1.284 9 L HN 0.498 nan 8.230 nan 0.000 0.418 10 L N 4.079 125.352 121.223 0.084 0.000 2.362 10 L HA 0.646 4.986 4.340 -0.000 0.000 0.275 10 L C -0.962 175.948 176.870 0.065 0.000 0.998 10 L CA -0.033 54.810 54.840 0.006 0.000 0.820 10 L CB 1.787 43.835 42.059 -0.019 0.000 1.270 10 L HN 0.406 nan 8.230 nan 0.000 0.415 11 I N 5.338 125.871 120.570 -0.062 0.000 2.418 11 I HA 0.368 4.538 4.170 -0.000 0.000 0.287 11 I C -0.775 175.279 176.117 -0.106 0.000 1.008 11 I CA -0.924 60.355 61.300 -0.033 0.000 1.104 11 I CB 2.012 39.924 38.000 -0.148 0.000 1.264 11 I HN 0.211 nan 8.210 nan 0.000 0.438 12 V N 5.732 125.605 119.914 -0.069 0.000 2.353 12 V HA 0.702 4.822 4.120 -0.000 0.000 0.264 12 V C 0.517 176.584 176.094 -0.045 0.000 1.049 12 V CA -0.216 62.003 62.300 -0.134 0.000 0.896 12 V CB 0.375 32.050 31.823 -0.248 0.000 1.025 12 V HN 1.060 nan 8.190 nan 0.000 0.475 13 G N 4.246 113.033 108.800 -0.023 0.000 3.367 13 G HA2 0.267 4.227 3.960 -0.000 0.000 0.686 13 G HA3 0.267 4.227 3.960 -0.000 0.000 0.686 13 G C -0.139 174.811 174.900 0.083 0.000 1.146 13 G CA -0.312 44.823 45.100 0.058 0.000 0.913 13 G HN 1.347 nan 8.290 nan 0.000 0.554 14 A N 1.715 124.617 122.820 0.136 0.000 2.708 14 A HA 0.760 5.080 4.320 -0.000 0.000 0.293 14 A C 1.498 179.211 177.584 0.215 0.000 1.303 14 A CA 1.201 53.373 52.037 0.224 0.000 0.949 14 A CB -0.237 18.974 19.000 0.352 0.000 1.121 14 A HN 2.057 nan 8.150 nan 0.000 0.542 15 G N -0.718 108.189 108.800 0.179 0.000 2.546 15 G HA2 0.313 4.273 3.960 -0.000 0.000 0.239 15 G HA3 0.313 4.273 3.960 -0.000 0.000 0.239 15 G C 1.056 176.090 174.900 0.222 0.000 1.476 15 G CA 0.735 45.943 45.100 0.179 0.000 1.064 15 G HN 0.201 nan 8.290 nan 0.000 0.561 16 T N -0.322 114.378 114.554 0.244 0.000 2.622 16 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 16 T C 1.980 176.915 174.700 0.391 0.000 1.047 16 T CA 1.812 64.101 62.100 0.315 0.000 1.159 16 T CB -0.227 68.843 68.868 0.337 0.000 0.863 16 T HN 0.460 nan 8.240 nan 0.000 0.422 17 W N 1.237 122.557 121.300 0.032 0.000 2.476 17 W HA 0.324 4.984 4.660 -0.000 0.000 0.281 17 W C 2.705 179.222 176.519 -0.004 0.000 1.230 17 W CA -0.117 57.222 57.345 -0.011 0.000 1.287 17 W CB -1.412 28.027 29.460 -0.035 0.000 1.108 17 W HN 0.378 nan 8.180 nan 0.000 0.567 18 G N -0.346 108.601 108.800 0.245 0.000 2.418 18 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 18 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 18 G C 1.529 176.480 174.900 0.085 0.000 1.158 18 G CA 1.813 46.982 45.100 0.115 0.000 0.771 18 G HN 0.193 nan 8.290 nan 0.000 0.545 19 T N 0.515 115.172 114.554 0.172 0.000 2.777 19 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 19 T C 2.663 177.442 174.700 0.131 0.000 1.040 19 T CA 1.561 63.786 62.100 0.208 0.000 1.141 19 T CB -0.327 68.682 68.868 0.235 0.000 0.868 19 T HN 0.304 nan 8.240 nan 0.000 0.444 20 S N 0.429 116.194 115.700 0.110 0.000 2.370 20 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 20 S C 2.209 176.851 174.600 0.071 0.000 1.033 20 S CA 1.985 60.233 58.200 0.080 0.000 1.011 20 S CB -0.749 62.440 63.200 -0.018 0.000 0.852 20 S HN 0.566 nan 8.310 nan 0.000 0.457 21 T N 2.066 116.599 114.554 -0.035 0.000 2.708 21 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 21 T C 2.078 176.656 174.700 -0.204 0.000 1.037 21 T CA 1.385 63.377 62.100 -0.179 0.000 1.146 21 T CB -0.801 67.862 68.868 -0.341 0.000 0.865 21 T HN 0.530 nan 8.240 nan 0.000 0.435 22 A N 1.433 124.158 122.820 -0.159 0.000 1.883 22 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 22 A C 2.272 179.821 177.584 -0.059 0.000 1.186 22 A CA 1.610 53.563 52.037 -0.141 0.000 0.624 22 A CB -0.963 17.978 19.000 -0.097 0.000 0.822 22 A HN 0.407 nan 8.150 nan 0.000 0.444 23 L N -0.817 120.392 121.223 -0.024 0.000 2.012 23 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 23 L C 2.386 179.153 176.870 -0.172 0.000 1.073 23 L CA 2.372 57.157 54.840 -0.092 0.000 0.748 23 L CB -0.753 41.227 42.059 -0.132 0.000 0.891 23 L HN 0.535 nan 8.230 nan 0.000 0.431 24 H N -0.925 118.125 119.070 -0.034 0.000 2.428 24 H HA -0.008 4.548 4.556 -0.000 0.000 0.296 24 H C 2.369 177.691 175.328 -0.009 0.000 1.062 24 H CA 1.590 57.619 56.048 -0.032 0.000 1.350 24 H CB -0.027 29.695 29.762 -0.066 0.000 1.403 24 H HN 0.353 nan 8.280 nan 0.000 0.533 25 L N 0.268 121.508 121.223 0.028 0.000 2.012 25 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 25 L C 2.881 179.858 176.870 0.178 0.000 1.073 25 L CA 1.195 56.063 54.840 0.047 0.000 0.748 25 L CB -0.464 41.484 42.059 -0.184 0.000 0.891 25 L HN 0.217 nan 8.230 nan 0.000 0.431 26 A N -0.157 122.704 122.820 0.068 0.000 1.898 26 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 26 A C 2.354 179.969 177.584 0.051 0.000 1.181 26 A CA 1.432 53.506 52.037 0.062 0.000 0.620 26 A CB -0.480 18.534 19.000 0.025 0.000 0.819 26 A HN 0.315 nan 8.150 nan 0.000 0.442 27 R N -0.704 119.811 120.500 0.025 0.000 2.105 27 R HA -0.079 4.260 4.340 -0.000 0.000 0.239 27 R C 1.987 178.320 176.300 0.055 0.000 1.135 27 R CA 1.565 57.677 56.100 0.021 0.000 0.967 27 R CB -0.230 30.069 30.300 -0.001 0.000 0.861 27 R HN 0.445 nan 8.270 nan 0.000 0.442 28 R N -0.705 119.860 120.500 0.109 0.000 2.313 28 R HA 0.071 4.410 4.340 -0.000 0.000 0.199 28 R C 0.816 177.125 176.300 0.015 0.000 0.958 28 R CA 0.550 56.713 56.100 0.104 0.000 1.047 28 R CB 0.682 31.099 30.300 0.195 0.000 0.955 28 R HN 0.438 nan 8.270 nan 0.000 0.481 29 G N -0.417 108.395 108.800 0.019 0.000 2.163 29 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.213 29 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.213 29 G C -0.288 174.536 174.900 -0.127 0.000 0.991 29 G CA -0.661 44.395 45.100 -0.074 0.000 0.653 29 G HN 0.236 nan 8.290 nan 0.000 0.518 30 Y N 1.319 121.622 120.300 0.005 0.000 2.511 30 Y HA 0.366 4.915 4.550 -0.000 0.000 0.332 30 Y C 2.015 177.916 175.900 0.001 0.000 1.177 30 Y CA 1.309 59.413 58.100 0.007 0.000 1.422 30 Y CB 1.150 39.615 38.460 0.008 0.000 1.271 30 Y HN 0.225 nan 8.280 nan 0.000 0.550 31 T N -2.706 111.933 114.554 0.142 0.000 3.040 31 T HA 0.139 4.488 4.350 -0.000 0.000 0.266 31 T C 0.329 175.076 174.700 0.078 0.000 1.005 31 T CA -0.166 61.981 62.100 0.079 0.000 0.906 31 T CB -0.003 68.888 68.868 0.039 0.000 1.082 31 T HN 0.439 nan 8.240 nan 0.000 0.531 32 N N 1.425 120.187 118.700 0.104 0.000 2.679 32 N HA 0.347 5.087 4.740 -0.000 0.000 0.302 32 N C -1.439 174.107 175.510 0.060 0.000 1.941 32 N CA -0.231 52.867 53.050 0.080 0.000 0.875 32 N CB 0.841 39.379 38.487 0.085 0.000 1.278 32 N HN 0.158 nan 8.380 nan 0.000 0.490 33 V N 0.501 120.426 119.914 0.018 0.000 2.483 33 V HA 0.590 4.710 4.120 -0.000 0.000 0.295 33 V C 0.240 176.264 176.094 -0.117 0.000 1.035 33 V CA -0.412 61.856 62.300 -0.054 0.000 0.896 33 V CB 1.700 33.462 31.823 -0.102 0.000 0.986 33 V HN 0.259 nan 8.190 nan 0.000 0.447 34 T N 3.749 118.208 114.554 -0.159 0.000 2.861 34 T HA 0.629 4.979 4.350 -0.000 0.000 0.287 34 T C -0.649 173.824 174.700 -0.380 0.000 1.003 34 T CA -0.420 61.525 62.100 -0.258 0.000 0.977 34 T CB 1.819 70.566 68.868 -0.201 0.000 0.996 34 T HN 0.365 nan 8.240 nan 0.000 0.448 35 V N 4.417 124.013 119.914 -0.529 0.000 2.495 35 V HA 0.543 4.663 4.120 -0.000 0.000 0.298 35 V C -0.499 175.358 176.094 -0.395 0.000 1.031 35 V CA -0.867 61.127 62.300 -0.509 0.000 0.871 35 V CB 1.551 32.884 31.823 -0.817 0.000 0.988 35 V HN 0.708 nan 8.190 nan 0.000 0.432 36 L N 4.290 125.323 121.223 -0.316 0.000 2.322 36 L HA 0.734 5.074 4.340 -0.000 0.000 0.281 36 L C -0.644 176.168 176.870 -0.097 0.000 1.014 36 L CA -0.219 54.457 54.840 -0.274 0.000 0.815 36 L CB 1.781 43.614 42.059 -0.377 0.000 1.247 36 L HN 0.611 nan 8.230 nan 0.000 0.421 37 D N 3.647 124.040 120.400 -0.012 0.000 2.927 37 D HA 0.237 4.877 4.640 -0.000 0.000 0.219 37 D C -2.315 174.046 176.300 0.102 0.000 1.248 37 D CA -1.282 52.769 54.000 0.085 0.000 0.861 37 D CB 3.638 44.529 40.800 0.153 0.000 1.677 37 D HN 0.139 nan 8.370 nan 0.000 0.511 38 P HA -0.004 nan 4.420 nan 0.000 0.230 38 P C -0.295 176.952 177.300 -0.089 0.000 1.158 38 P CA 0.609 63.729 63.100 0.034 0.000 0.769 38 P CB 0.232 31.960 31.700 0.047 0.000 0.807 39 Y N 0.341 120.683 120.300 0.070 0.000 2.485 39 Y HA 0.439 4.988 4.550 -0.000 0.000 0.345 39 Y C -1.990 173.951 175.900 0.069 0.000 0.998 39 Y CA -3.174 54.969 58.100 0.071 0.000 1.059 39 Y CB 1.063 39.571 38.460 0.079 0.000 1.234 39 Y HN -0.239 nan 8.280 nan 0.000 0.461 40 P HA -0.009 nan 4.420 nan 0.000 0.269 40 P C -0.537 176.839 177.300 0.126 0.000 1.209 40 P CA -0.052 63.127 63.100 0.132 0.000 0.776 40 P CB 0.677 32.436 31.700 0.098 0.000 0.876 41 V N 5.284 125.237 119.914 0.066 0.000 2.529 41 V HA 0.111 4.231 4.120 -0.000 0.000 0.292 41 V C -1.491 174.610 176.094 0.013 0.000 1.028 41 V CA -0.787 61.528 62.300 0.025 0.000 1.074 41 V CB 0.006 31.772 31.823 -0.094 0.000 0.958 41 V HN 0.620 nan 8.190 nan 0.000 0.481 42 P HA 0.207 nan 4.420 nan 0.000 0.292 42 P C -0.364 176.979 177.300 0.071 0.000 1.287 42 P CA -0.285 62.847 63.100 0.054 0.000 0.800 42 P CB 1.345 33.074 31.700 0.049 0.000 0.945 43 S N 2.463 118.212 115.700 0.081 0.000 2.537 43 S HA 0.198 4.668 4.470 -0.000 0.000 0.286 43 S C 1.665 176.211 174.600 -0.089 0.000 1.299 43 S CA 0.072 58.297 58.200 0.042 0.000 1.067 43 S CB -0.060 63.161 63.200 0.035 0.000 0.864 43 S HN 0.499 nan 8.310 nan 0.000 0.494 44 A N 4.802 127.499 122.820 -0.204 0.000 2.070 44 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 44 A C 1.725 179.159 177.584 -0.251 0.000 1.159 44 A CA 1.504 53.435 52.037 -0.176 0.000 0.656 44 A CB -0.745 18.221 19.000 -0.057 0.000 0.800 44 A HN 1.091 nan 8.150 nan 0.000 0.453 45 I N -3.848 116.434 120.570 -0.481 0.000 3.956 45 I HA 0.246 4.416 4.170 -0.000 0.000 0.333 45 I C 0.758 176.836 176.117 -0.065 0.000 1.302 45 I CA -0.040 61.109 61.300 -0.252 0.000 1.122 45 I CB 0.141 37.945 38.000 -0.328 0.000 1.013 45 I HN 0.085 nan 8.210 nan 0.000 0.405 46 S N 1.748 117.424 115.700 -0.040 0.000 2.510 46 S HA 0.452 4.922 4.470 -0.000 0.000 0.279 46 S C 1.522 176.177 174.600 0.092 0.000 1.284 46 S CA 0.222 58.456 58.200 0.056 0.000 1.059 46 S CB 1.278 64.529 63.200 0.087 0.000 0.901 46 S HN 0.494 nan 8.310 nan 0.000 0.491 47 A N 4.568 127.463 122.820 0.126 0.000 2.070 47 A HA 0.083 4.403 4.320 -0.000 0.000 0.220 47 A C 1.991 179.651 177.584 0.127 0.000 1.159 47 A CA 1.531 53.653 52.037 0.142 0.000 0.656 47 A CB -1.021 18.074 19.000 0.158 0.000 0.800 47 A HN 1.034 nan 8.150 nan 0.000 0.453 48 G N -0.706 108.204 108.800 0.184 0.000 2.712 48 G HA2 -0.093 3.866 3.960 -0.000 0.000 0.212 48 G HA3 -0.093 3.866 3.960 -0.000 0.000 0.212 48 G C 0.731 175.646 174.900 0.024 0.000 1.142 48 G CA 0.268 45.495 45.100 0.213 0.000 0.789 48 G HN 0.457 nan 8.290 nan 0.000 0.535 49 N N 1.419 120.149 118.700 0.051 0.000 2.739 49 N HA 0.173 4.913 4.740 -0.000 0.000 0.266 49 N C -1.603 173.900 175.510 -0.012 0.000 1.168 49 N CA -0.142 52.924 53.050 0.026 0.000 1.055 49 N CB 0.157 38.667 38.487 0.038 0.000 1.393 49 N HN 0.062 nan 8.380 nan 0.000 0.514 50 D N 0.776 121.121 120.400 -0.092 0.000 2.753 50 D HA 0.072 4.712 4.640 -0.000 0.000 0.224 50 D C 1.148 177.286 176.300 -0.270 0.000 1.213 50 D CA -0.573 53.350 54.000 -0.128 0.000 0.833 50 D CB 1.920 42.619 40.800 -0.168 0.000 1.607 50 D HN 0.049 nan 8.370 nan 0.000 0.463 51 V N 0.599 120.326 119.914 -0.312 0.000 2.970 51 V HA 0.138 4.258 4.120 -0.000 0.000 0.260 51 V C 0.037 175.647 176.094 -0.807 0.000 1.100 51 V CA 0.940 62.861 62.300 -0.631 0.000 1.122 51 V CB -1.185 30.375 31.823 -0.437 0.000 0.721 51 V HN 0.553 nan 8.190 nan 0.000 0.483 52 N N -1.105 117.181 118.700 -0.689 0.000 2.598 52 N HA 0.579 5.319 4.740 -0.000 0.000 0.263 52 N C -1.490 173.610 175.510 -0.683 0.000 1.254 52 N CA -0.843 51.752 53.050 -0.758 0.000 0.863 52 N CB 1.459 39.097 38.487 -1.415 0.000 1.586 52 N HN 0.012 nan 8.380 nan 0.000 0.491 53 K N 0.305 120.478 120.400 -0.379 0.000 2.477 53 K HA 0.512 4.832 4.320 -0.000 0.000 0.255 53 K C -1.016 175.729 176.600 0.242 0.000 0.952 53 K CA -0.774 55.467 56.287 -0.077 0.000 0.826 53 K CB 2.754 35.177 32.500 -0.129 0.000 1.331 53 K HN 0.445 nan 8.250 nan 0.000 0.437 54 V N 3.020 123.120 119.914 0.309 0.000 2.614 54 V HA 0.227 4.346 4.120 -0.000 0.000 0.291 54 V C 0.270 176.433 176.094 0.115 0.000 1.049 54 V CA -0.296 62.134 62.300 0.217 0.000 1.038 54 V CB 0.433 32.163 31.823 -0.154 0.000 0.980 54 V HN 0.452 nan 8.190 nan 0.000 0.481 55 I N 4.660 125.315 120.570 0.141 0.000 2.439 55 I HA 0.429 4.599 4.170 -0.000 0.000 0.283 55 I C 0.121 176.298 176.117 0.100 0.000 1.023 55 I CA -0.008 61.342 61.300 0.082 0.000 1.100 55 I CB 1.610 39.602 38.000 -0.013 0.000 1.238 55 I HN 0.749 nan 8.210 nan 0.000 0.445 56 S N 3.881 119.562 115.700 -0.032 0.000 2.648 56 S HA 0.897 5.367 4.470 -0.000 0.000 0.305 56 S C -0.098 174.252 174.600 -0.418 0.000 1.094 56 S CA -0.606 57.489 58.200 -0.175 0.000 0.983 56 S CB 2.638 65.733 63.200 -0.175 0.000 1.101 56 S HN 0.877 nan 8.310 nan 0.000 0.514 69 V N 4.267 124.166 119.914 -0.024 0.000 2.358 69 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 69 V C 1.762 177.845 176.094 -0.019 0.000 1.047 69 V CA 1.805 64.092 62.300 -0.021 0.000 1.035 69 V CB -0.440 31.362 31.823 -0.036 0.000 0.658 69 V HN 0.692 nan 8.190 nan 0.000 0.452 70 N N -0.041 118.635 118.700 -0.041 0.000 2.188 70 N HA -0.195 4.545 4.740 -0.000 0.000 0.184 70 N C 1.940 177.472 175.510 0.037 0.000 1.018 70 N CA 1.510 54.543 53.050 -0.028 0.000 0.858 70 N CB -0.026 38.418 38.487 -0.071 0.000 0.989 70 N HN 0.637 nan 8.380 nan 0.000 0.426 71 E N 0.857 121.064 120.200 0.011 0.000 2.106 71 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 71 E C 2.033 178.651 176.600 0.030 0.000 0.984 71 E CA 0.643 57.050 56.400 0.012 0.000 0.806 71 E CB 0.038 29.731 29.700 -0.012 0.000 0.750 71 E HN 0.275 nan 8.360 nan 0.000 0.458 72 I N 0.701 121.288 120.570 0.028 0.000 2.142 72 I HA -0.313 3.857 4.170 -0.000 0.000 0.240 72 I C 2.303 178.459 176.117 0.065 0.000 1.078 72 I CA 1.056 62.376 61.300 0.033 0.000 1.343 72 I CB -0.242 37.770 38.000 0.021 0.000 1.046 72 I HN 0.199 nan 8.210 nan 0.000 0.405 73 L N 0.345 121.631 121.223 0.105 0.000 2.056 73 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 73 L C 2.853 179.902 176.870 0.297 0.000 1.078 73 L CA 1.234 56.192 54.840 0.196 0.000 0.749 73 L CB -0.838 41.360 42.059 0.231 0.000 0.901 73 L HN 0.238 nan 8.230 nan 0.000 0.433 74 A N -0.442 122.547 122.820 0.281 0.000 1.933 74 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 74 A C 2.291 179.909 177.584 0.055 0.000 1.175 74 A CA 1.528 53.641 52.037 0.127 0.000 0.628 74 A CB -0.384 18.668 19.000 0.087 0.000 0.814 74 A HN 0.314 nan 8.150 nan 0.000 0.444 75 E N 0.040 120.278 120.200 0.062 0.000 2.051 75 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 75 E C 1.950 178.590 176.600 0.067 0.000 0.991 75 E CA 1.506 57.945 56.400 0.064 0.000 0.799 75 E CB -0.332 29.391 29.700 0.039 0.000 0.748 75 E HN 0.774 nan 8.360 nan 0.000 0.449 76 E N -0.344 119.880 120.200 0.040 0.000 2.110 76 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 76 E C 1.885 178.456 176.600 -0.048 0.000 0.988 76 E CA 1.003 57.401 56.400 -0.004 0.000 0.804 76 E CB -0.052 29.640 29.700 -0.013 0.000 0.745 76 E HN 0.230 nan 8.360 nan 0.000 0.458 77 A N 0.564 123.362 122.820 -0.036 0.000 1.855 77 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 77 A C 1.979 179.526 177.584 -0.062 0.000 1.191 77 A CA 1.198 53.152 52.037 -0.139 0.000 0.613 77 A CB -0.910 17.940 19.000 -0.251 0.000 0.829 77 A HN 0.455 nan 8.150 nan 0.000 0.442 78 F N 1.253 121.155 119.950 -0.080 0.000 2.171 78 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 78 F C 1.998 177.761 175.800 -0.063 0.000 1.090 78 F CA 1.778 59.759 58.000 -0.031 0.000 1.293 78 F CB -0.472 38.482 39.000 -0.077 0.000 1.013 78 F HN 0.356 nan 8.300 nan 0.000 0.486 79 N N 0.018 118.703 118.700 -0.025 0.000 2.149 79 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 79 N C 2.109 177.517 175.510 -0.169 0.000 1.019 79 N CA 1.559 54.554 53.050 -0.090 0.000 0.857 79 N CB -0.729 37.740 38.487 -0.029 0.000 0.997 79 N HN 0.334 nan 8.380 nan 0.000 0.426 80 G N -0.858 107.799 108.800 -0.238 0.000 2.421 80 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 80 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 80 G C 1.130 175.839 174.900 -0.319 0.000 1.171 80 G CA 0.669 45.580 45.100 -0.316 0.000 0.775 80 G HN 0.450 nan 8.290 nan 0.000 0.543 81 W N 0.802 121.893 121.300 -0.349 0.000 2.374 81 W HA 0.079 4.739 4.660 -0.000 0.000 0.288 81 W C 2.606 178.876 176.519 -0.416 0.000 1.218 81 W CA 0.790 57.892 57.345 -0.406 0.000 1.245 81 W CB 0.202 29.189 29.460 -0.788 0.000 1.126 81 W HN 0.037 nan 8.180 nan 0.000 0.545 82 K N -0.555 119.651 120.400 -0.323 0.000 2.186 82 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 82 K C 1.111 177.656 176.600 -0.091 0.000 1.052 82 K CA 0.906 57.051 56.287 -0.236 0.000 0.965 82 K CB -0.243 32.063 32.500 -0.323 0.000 0.746 82 K HN 0.186 nan 8.250 nan 0.000 0.457 83 N N 0.248 118.899 118.700 -0.082 0.000 2.239 83 N HA -0.053 4.687 4.740 -0.000 0.000 0.208 83 N C -0.400 175.096 175.510 -0.023 0.000 1.200 83 N CA 0.018 53.041 53.050 -0.044 0.000 0.895 83 N CB 0.721 39.182 38.487 -0.043 0.000 1.085 83 N HN 0.069 nan 8.380 nan 0.000 0.500 84 D N 2.777 123.174 120.400 -0.004 0.000 2.316 84 D HA 0.142 4.782 4.640 -0.000 0.000 0.245 84 D C -1.564 174.740 176.300 0.006 0.000 1.171 84 D CA -1.918 52.100 54.000 0.030 0.000 0.856 84 D CB 1.800 42.679 40.800 0.131 0.000 1.090 84 D HN 0.021 nan 8.370 nan 0.000 0.476 85 P HA -0.134 nan 4.420 nan 0.000 0.225 85 P C 1.556 178.779 177.300 -0.128 0.000 1.148 85 P CA 0.201 63.257 63.100 -0.074 0.000 0.779 85 P CB 0.442 32.100 31.700 -0.070 0.000 0.780 86 L N -1.632 119.472 121.223 -0.199 0.000 2.141 86 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 86 L C 1.980 178.592 176.870 -0.430 0.000 1.094 86 L CA 1.907 56.515 54.840 -0.386 0.000 0.763 86 L CB -0.909 40.769 42.059 -0.635 0.000 0.908 86 L HN -0.202 nan 8.230 nan 0.000 0.437 87 F N -1.160 118.795 119.950 0.009 0.000 2.622 87 F HA 0.135 4.662 4.527 -0.000 0.000 0.288 87 F C 2.175 178.088 175.800 0.187 0.000 1.120 87 F CA 0.157 58.221 58.000 0.107 0.000 1.423 87 F CB -0.414 38.402 39.000 -0.306 0.000 1.127 87 F HN -0.136 nan 8.300 nan 0.000 0.588 88 K N 0.496 120.990 120.400 0.156 0.000 2.089 88 K HA -0.199 4.121 4.320 -0.000 0.000 0.210 88 K C -0.674 175.870 176.600 -0.092 0.000 1.048 88 K CA 1.970 58.300 56.287 0.071 0.000 0.926 88 K CB -1.490 30.998 32.500 -0.020 0.000 0.714 88 K HN 0.197 nan 8.250 nan 0.000 0.448 89 P HA -0.153 nan 4.420 nan 0.000 0.221 89 P C 0.378 177.282 177.300 -0.660 0.000 1.145 89 P CA 1.258 63.984 63.100 -0.622 0.000 0.795 89 P CB 0.033 31.167 31.700 -0.944 0.000 0.775 90 Y N -4.132 116.263 120.300 0.158 0.000 2.449 90 Y HA 0.208 4.758 4.550 -0.000 0.000 0.254 90 Y C 0.808 176.772 175.900 0.107 0.000 1.140 90 Y CA -0.815 57.426 58.100 0.235 0.000 1.272 90 Y CB -0.710 38.038 38.460 0.480 0.000 1.114 90 Y HN -0.091 nan 8.280 nan 0.000 0.525 91 Y N 2.117 122.374 120.300 -0.071 0.000 2.320 91 Y HA 0.414 4.964 4.550 -0.000 0.000 0.334 91 Y C -0.478 175.098 175.900 -0.539 0.000 1.055 91 Y CA -1.397 56.558 58.100 -0.242 0.000 1.143 91 Y CB 0.361 38.778 38.460 -0.073 0.000 1.193 91 Y HN 0.079 nan 8.280 nan 0.000 0.477 92 H N 5.209 123.399 119.070 -1.466 0.000 2.708 92 H HA 0.120 4.676 4.556 -0.000 0.000 0.320 92 H C -1.042 173.570 175.328 -1.194 0.000 0.991 92 H CA -0.707 54.607 56.048 -1.224 0.000 1.243 92 H CB 1.480 30.404 29.762 -1.396 0.000 1.446 92 H HN 0.684 nan 8.280 nan 0.000 0.502 93 D N 2.894 122.869 120.400 -0.708 0.000 2.713 93 D HA -0.010 4.630 4.640 -0.000 0.000 0.229 93 D C 1.341 177.603 176.300 -0.064 0.000 1.136 93 D CA -0.113 53.708 54.000 -0.299 0.000 1.010 93 D CB 0.353 41.144 40.800 -0.015 0.000 1.084 93 D HN 0.585 nan 8.370 nan 0.000 0.495 94 T N -1.104 113.448 114.554 -0.003 0.000 3.055 94 T HA 0.292 4.642 4.350 -0.000 0.000 0.265 94 T C 1.206 175.998 174.700 0.154 0.000 1.111 94 T CA 0.092 62.280 62.100 0.146 0.000 1.118 94 T CB -0.143 68.913 68.868 0.314 0.000 0.909 94 T HN 0.404 nan 8.240 nan 0.000 0.501 95 G N 0.758 109.601 108.800 0.071 0.000 2.781 95 G HA2 0.154 4.114 3.960 -0.000 0.000 0.683 95 G HA3 0.154 4.114 3.960 -0.000 0.000 0.683 95 G C -1.245 173.649 174.900 -0.011 0.000 1.390 95 G CA -0.441 44.609 45.100 -0.083 0.000 0.850 95 G HN 1.064 nan 8.290 nan 0.000 0.557 96 L N -0.117 120.992 121.223 -0.190 0.000 2.505 96 L HA 0.843 5.183 4.340 -0.000 0.000 0.266 96 L C -0.338 176.570 176.870 0.064 0.000 0.954 96 L CA -0.799 54.037 54.840 -0.006 0.000 0.852 96 L CB 1.649 43.684 42.059 -0.039 0.000 1.282 96 L HN 1.337 nan 8.230 nan 0.000 0.403 100 A N -0.867 121.775 122.820 -0.297 0.000 2.581 100 A HA 0.806 5.126 4.320 -0.000 0.000 0.290 100 A C -0.064 177.275 177.584 -0.409 0.000 1.119 100 A CA -0.249 51.547 52.037 -0.401 0.000 0.670 100 A CB 0.684 19.513 19.000 -0.285 0.000 1.280 100 A HN 1.427 nan 8.150 nan 0.000 0.425 101 C N 0.308 119.380 119.300 -0.381 0.000 3.364 101 C HA 0.536 4.996 4.460 -0.000 0.000 0.340 101 C C 1.116 176.003 174.990 -0.173 0.000 1.336 101 C CA 0.613 59.460 59.018 -0.285 0.000 1.778 101 C CB -0.721 26.837 27.740 -0.304 0.000 2.398 101 C HN 1.017 nan 8.230 nan 0.000 0.667 102 S N -0.603 114.981 115.700 -0.194 0.000 2.632 102 S HA 0.463 4.933 4.470 -0.000 0.000 0.289 102 S C 0.082 174.592 174.600 -0.151 0.000 1.115 102 S CA -0.174 57.937 58.200 -0.148 0.000 0.889 102 S CB 1.581 64.689 63.200 -0.154 0.000 1.116 102 S HN 0.054 nan 8.310 nan 0.000 0.486 103 Q N 0.882 120.621 119.800 -0.102 0.000 2.119 103 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 103 Q C 1.836 177.771 176.000 -0.108 0.000 0.972 103 Q CA 2.300 58.054 55.803 -0.080 0.000 0.847 103 Q CB -0.460 28.252 28.738 -0.043 0.000 0.903 103 Q HN 0.905 nan 8.270 nan 0.000 0.433 104 E N -1.356 118.765 120.200 -0.132 0.000 2.058 104 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 104 E C 1.746 178.118 176.600 -0.380 0.000 0.997 104 E CA 1.300 57.602 56.400 -0.164 0.000 0.801 104 E CB -0.526 29.114 29.700 -0.101 0.000 0.746 104 E HN 0.537 nan 8.360 nan 0.000 0.450 105 G N 0.914 109.377 108.800 -0.562 0.000 2.402 105 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 105 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 105 G C 1.486 176.186 174.900 -0.333 0.000 1.162 105 G CA 0.691 45.363 45.100 -0.713 0.000 0.777 105 G HN 0.248 nan 8.290 nan 0.000 0.539 106 L N 1.064 122.166 121.223 -0.202 0.000 2.017 106 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 106 L C 2.291 179.161 176.870 0.000 0.000 1.073 106 L CA 1.929 56.730 54.840 -0.064 0.000 0.745 106 L CB -0.538 41.497 42.059 -0.041 0.000 0.894 106 L HN 0.109 nan 8.230 nan 0.000 0.432 107 D N -0.785 119.598 120.400 -0.029 0.000 2.133 107 D HA -0.256 4.384 4.640 -0.000 0.000 0.195 107 D C 2.299 178.607 176.300 0.013 0.000 0.997 107 D CA 1.203 55.203 54.000 0.001 0.000 0.840 107 D CB -0.108 40.689 40.800 -0.005 0.000 0.947 107 D HN 0.144 nan 8.370 nan 0.000 0.452 108 R N -0.357 120.140 120.500 -0.004 0.000 2.120 108 R HA 0.140 4.480 4.340 -0.000 0.000 0.234 108 R C 0.509 176.847 176.300 0.064 0.000 1.123 108 R CA 0.809 56.947 56.100 0.062 0.000 0.975 108 R CB 0.127 30.516 30.300 0.149 0.000 0.866 108 R HN 0.188 nan 8.270 nan 0.000 0.446 118 D N 5.231 125.617 120.400 -0.023 0.000 2.317 118 D HA 0.274 4.914 4.640 -0.000 0.000 0.234 118 D C -1.491 174.800 176.300 -0.014 0.000 1.112 118 D CA -2.097 51.886 54.000 -0.028 0.000 0.840 118 D CB 1.554 42.325 40.800 -0.048 0.000 1.078 118 D HN 0.205 nan 8.370 nan 0.000 0.486 119 P HA -0.019 nan 4.420 nan 0.000 0.226 119 P C 0.327 177.629 177.300 0.003 0.000 1.153 119 P CA 0.464 63.565 63.100 0.001 0.000 0.777 119 P CB 0.513 32.215 31.700 0.002 0.000 0.794 120 N N -0.444 118.248 118.700 -0.012 0.000 2.235 120 N HA 0.124 4.864 4.740 -0.000 0.000 0.209 120 N C -0.118 175.368 175.510 -0.040 0.000 1.122 120 N CA -0.070 52.966 53.050 -0.023 0.000 0.845 120 N CB 0.488 38.950 38.487 -0.041 0.000 1.004 120 N HN 0.187 nan 8.380 nan 0.000 0.499 121 L N 1.291 122.508 121.223 -0.010 0.000 2.356 121 L HA 0.458 4.798 4.340 -0.000 0.000 0.277 121 L C -0.606 176.313 176.870 0.081 0.000 0.996 121 L CA -0.947 53.904 54.840 0.017 0.000 0.822 121 L CB 1.767 43.824 42.059 -0.005 0.000 1.256 121 L HN -0.112 nan 8.230 nan 0.000 0.413 122 V N 1.117 121.112 119.914 0.134 0.000 2.769 122 V HA 0.664 4.784 4.120 -0.000 0.000 0.312 122 V C -0.407 175.760 176.094 0.121 0.000 1.061 122 V CA -0.727 61.645 62.300 0.120 0.000 0.931 122 V CB 1.826 33.708 31.823 0.099 0.000 1.010 122 V HN 0.795 nan 8.190 nan 0.000 0.433 123 E N 3.111 123.342 120.200 0.051 0.000 2.283 123 E HA 0.592 4.942 4.350 -0.000 0.000 0.278 123 E C -1.418 175.083 176.600 -0.166 0.000 1.027 123 E CA -0.532 55.813 56.400 -0.091 0.000 0.843 123 E CB 1.797 31.452 29.700 -0.076 0.000 1.062 123 E HN 0.552 nan 8.360 nan 0.000 0.401 124 L N 1.951 123.012 121.223 -0.271 0.000 2.362 124 L HA 0.290 4.630 4.340 -0.000 0.000 0.275 124 L C 0.787 177.563 176.870 -0.157 0.000 0.998 124 L CA -0.063 54.550 54.840 -0.378 0.000 0.820 124 L CB 1.930 43.432 42.059 -0.927 0.000 1.270 124 L HN 0.716 nan 8.230 nan 0.000 0.415 125 T N -1.833 112.698 114.554 -0.038 0.000 3.041 125 T HA 0.351 4.701 4.350 -0.000 0.000 0.276 125 T C 0.596 175.419 174.700 0.204 0.000 0.948 125 T CA -0.334 61.842 62.100 0.127 0.000 0.885 125 T CB 0.224 69.114 68.868 0.037 0.000 1.175 125 T HN 0.351 nan 8.240 nan 0.000 0.529 126 R N 1.437 122.033 120.500 0.161 0.000 2.494 126 R HA 0.439 4.779 4.340 -0.000 0.000 0.305 126 R C -2.379 174.060 176.300 0.233 0.000 0.959 126 R CA -2.277 53.907 56.100 0.140 0.000 0.864 126 R CB 1.613 31.933 30.300 0.032 0.000 1.159 126 R HN -0.105 nan 8.270 nan 0.000 0.446 127 P HA -0.263 nan 4.420 nan 0.000 0.216 127 P C 0.986 178.325 177.300 0.066 0.000 1.154 127 P CA 1.334 64.530 63.100 0.159 0.000 0.865 127 P CB 0.381 32.141 31.700 0.099 0.000 0.789 128 E N -0.216 119.996 120.200 0.019 0.000 2.110 128 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 128 E C 2.058 178.592 176.600 -0.111 0.000 0.988 128 E CA 1.474 57.851 56.400 -0.037 0.000 0.804 128 E CB -0.664 29.017 29.700 -0.033 0.000 0.745 128 E HN 0.288 nan 8.360 nan 0.000 0.458 129 Q N -1.059 118.651 119.800 -0.150 0.000 2.084 129 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 129 Q C 1.971 177.695 176.000 -0.459 0.000 0.978 129 Q CA 1.627 57.249 55.803 -0.303 0.000 0.844 129 Q CB -0.235 28.277 28.738 -0.377 0.000 0.898 129 Q HN 0.346 nan 8.270 nan 0.000 0.426 130 F N 0.481 120.148 119.950 -0.473 0.000 2.113 130 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 130 F C 2.393 177.767 175.800 -0.712 0.000 1.103 130 F CA 1.095 58.615 58.000 -0.799 0.000 1.248 130 F CB -0.166 37.878 39.000 -1.593 0.000 0.999 130 F HN -0.075 nan 8.300 nan 0.000 0.475 131 R N 0.507 120.800 120.500 -0.345 0.000 2.127 131 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 131 R C 1.740 177.964 176.300 -0.128 0.000 1.134 131 R CA 1.267 57.289 56.100 -0.130 0.000 0.975 131 R CB -0.361 29.924 30.300 -0.025 0.000 0.865 131 R HN 0.279 nan 8.270 nan 0.000 0.447 132 K N 0.686 120.979 120.400 -0.178 0.000 2.525 132 K HA 0.016 4.336 4.320 -0.000 0.000 0.192 132 K C 1.532 178.008 176.600 -0.208 0.000 1.029 132 K CA 0.323 56.512 56.287 -0.164 0.000 1.029 132 K CB 0.166 32.572 32.500 -0.156 0.000 0.814 132 K HN 0.224 nan 8.250 nan 0.000 0.503 133 L N 0.463 121.526 121.223 -0.267 0.000 2.465 133 L HA -0.015 4.325 4.340 -0.000 0.000 0.224 133 L C 0.931 177.710 176.870 -0.150 0.000 1.145 133 L CA 0.033 54.673 54.840 -0.333 0.000 0.834 133 L CB -0.094 41.707 42.059 -0.430 0.000 0.944 133 L HN 0.051 nan 8.230 nan 0.000 0.451 134 A N -1.149 121.621 122.820 -0.083 0.000 2.479 134 A HA 0.706 5.026 4.320 -0.000 0.000 0.296 134 A C -2.540 175.012 177.584 -0.053 0.000 1.121 134 A CA -1.432 50.587 52.037 -0.031 0.000 0.743 134 A CB 0.714 19.722 19.000 0.013 0.000 1.323 134 A HN -0.197 nan 8.150 nan 0.000 0.415 135 P HA 0.073 nan 4.420 nan 0.000 0.266 135 P C -0.412 176.840 177.300 -0.081 0.000 1.193 135 P CA 0.166 63.227 63.100 -0.065 0.000 0.770 135 P CB 0.317 31.974 31.700 -0.071 0.000 0.836 136 E N 1.169 121.330 120.200 -0.065 0.000 2.465 136 E HA 0.155 4.505 4.350 -0.000 0.000 0.260 136 E C 1.186 177.737 176.600 -0.082 0.000 0.980 136 E CA 1.289 57.653 56.400 -0.060 0.000 0.927 136 E CB -0.106 29.567 29.700 -0.043 0.000 0.934 136 E HN 0.816 nan 8.360 nan 0.000 0.459 137 G N 1.700 110.453 108.800 -0.079 0.000 2.201 137 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.212 137 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.212 137 G C 0.738 175.540 174.900 -0.163 0.000 0.994 137 G CA 0.157 45.199 45.100 -0.096 0.000 0.644 137 G HN 0.419 nan 8.290 nan 0.000 0.508 138 V N 0.627 120.425 119.914 -0.193 0.000 2.484 138 V HA 0.363 4.482 4.120 -0.000 0.000 0.236 138 V C 1.534 177.609 176.094 -0.031 0.000 1.062 138 V CA 1.265 63.403 62.300 -0.270 0.000 1.081 138 V CB -0.104 31.527 31.823 -0.319 0.000 0.751 138 V HN 0.242 nan 8.190 nan 0.000 0.484 139 L N 1.534 122.783 121.223 0.044 0.000 2.397 139 L HA 0.295 4.635 4.340 -0.000 0.000 0.263 139 L C 0.969 177.925 176.870 0.143 0.000 1.136 139 L CA 0.200 55.144 54.840 0.174 0.000 1.019 139 L CB 0.431 42.672 42.059 0.304 0.000 1.352 139 L HN 0.358 nan 8.230 nan 0.000 0.420 140 Q N 1.208 121.042 119.800 0.056 0.000 2.403 140 Q HA 0.108 4.448 4.340 -0.000 0.000 0.203 140 Q C 1.248 177.243 176.000 -0.008 0.000 0.932 140 Q CA -0.056 55.758 55.803 0.019 0.000 0.945 140 Q CB 0.674 29.404 28.738 -0.012 0.000 1.045 140 Q HN 0.774 nan 8.270 nan 0.000 0.511 141 G N 0.286 109.045 108.800 -0.068 0.000 2.616 141 G HA2 0.007 3.967 3.960 -0.000 0.000 0.268 141 G HA3 0.007 3.967 3.960 -0.000 0.000 0.268 141 G C -0.144 174.680 174.900 -0.126 0.000 1.213 141 G CA -0.378 44.565 45.100 -0.262 0.000 0.926 141 G HN 0.033 nan 8.290 nan 0.000 0.523 142 D N -0.871 119.399 120.400 -0.216 0.000 2.360 142 D HA 0.030 4.670 4.640 -0.000 0.000 0.210 142 D C 0.571 176.831 176.300 -0.067 0.000 1.047 142 D CA -0.098 53.862 54.000 -0.067 0.000 0.854 142 D CB -0.108 40.649 40.800 -0.071 0.000 0.936 142 D HN 0.339 nan 8.370 nan 0.000 0.514 143 F N 0.040 119.670 119.950 -0.533 0.000 2.907 143 F HA -0.192 4.335 4.527 -0.000 0.000 0.244 143 F C -1.912 173.616 175.800 -0.453 0.000 1.007 143 F CA -0.431 56.939 58.000 -1.051 0.000 0.872 143 F CB -1.622 36.620 39.000 -1.263 0.000 0.767 143 F HN 0.030 nan 8.300 nan 0.000 0.837 144 P HA 0.216 nan 4.420 nan 0.000 0.271 144 P C 1.028 178.456 177.300 0.213 0.000 1.233 144 P CA 1.371 64.524 63.100 0.088 0.000 0.764 144 P CB 1.197 32.926 31.700 0.049 0.000 0.825 145 G N 2.217 111.106 108.800 0.149 0.000 2.175 145 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.265 145 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.265 145 G C -0.302 174.687 174.900 0.148 0.000 0.979 145 G CA -0.417 44.757 45.100 0.122 0.000 0.663 145 G HN 0.374 nan 8.290 nan 0.000 0.533 146 W N 1.395 122.599 121.300 -0.160 0.000 2.251 146 W HA 0.591 5.251 4.660 -0.000 0.000 0.327 146 W C 0.716 177.187 176.519 -0.080 0.000 1.361 146 W CA -0.060 57.128 57.345 -0.261 0.000 1.234 146 W CB 0.628 29.672 29.460 -0.693 0.000 1.212 146 W HN -0.029 nan 8.180 nan 0.000 0.557 147 K N 2.503 123.025 120.400 0.202 0.000 2.469 147 K HA 0.859 5.179 4.320 -0.000 0.000 0.254 147 K C 0.063 176.756 176.600 0.156 0.000 0.939 147 K CA -0.885 55.551 56.287 0.249 0.000 0.812 147 K CB 2.259 34.793 32.500 0.056 0.000 1.301 147 K HN 0.632 nan 8.250 nan 0.000 0.433 148 G N 0.574 109.388 108.800 0.023 0.000 2.428 148 G HA2 0.470 4.429 3.960 -0.000 0.000 0.305 148 G HA3 0.470 4.429 3.960 -0.000 0.000 0.305 148 G C -2.110 172.506 174.900 -0.473 0.000 1.260 148 G CA -0.604 44.401 45.100 -0.159 0.000 0.853 148 G HN 0.297 nan 8.290 nan 0.000 0.480 149 Y N -0.760 119.611 120.300 0.118 0.000 2.406 149 Y HA 0.658 5.208 4.550 -0.000 0.000 0.340 149 Y C -0.982 175.003 175.900 0.142 0.000 0.975 149 Y CA -0.799 57.352 58.100 0.085 0.000 1.056 149 Y CB 2.468 40.954 38.460 0.044 0.000 1.210 149 Y HN 0.530 nan 8.280 nan 0.000 0.448 150 F N 3.090 123.095 119.950 0.092 0.000 2.402 150 F HA 0.803 5.330 4.527 -0.000 0.000 0.355 150 F C -0.405 175.425 175.800 0.049 0.000 1.123 150 F CA -1.183 56.843 58.000 0.043 0.000 1.021 150 F CB 0.783 39.759 39.000 -0.039 0.000 1.160 150 F HN 0.574 nan 8.300 nan 0.000 0.451 151 A N 7.310 129.790 122.820 -0.567 0.000 2.279 151 A HA 0.351 4.671 4.320 -0.000 0.000 0.306 151 A C 1.108 178.154 177.584 -0.898 0.000 1.300 151 A CA -0.639 51.091 52.037 -0.511 0.000 0.925 151 A CB 0.118 18.943 19.000 -0.291 0.000 1.152 151 A HN 0.992 nan 8.150 nan 0.000 0.544 152 R N 1.798 121.942 120.500 -0.594 0.000 2.189 152 R HA 0.019 4.359 4.340 -0.000 0.000 0.218 152 R C 0.430 176.634 176.300 -0.160 0.000 1.074 152 R CA 1.308 57.191 56.100 -0.362 0.000 0.991 152 R CB -0.316 29.998 30.300 0.024 0.000 0.883 152 R HN 0.706 nan 8.270 nan 0.000 0.457 153 S N -2.813 112.808 115.700 -0.132 0.000 2.615 153 S HA 0.536 5.006 4.470 -0.000 0.000 0.269 153 S C 0.388 174.984 174.600 -0.007 0.000 1.161 153 S CA -0.491 57.697 58.200 -0.019 0.000 0.817 153 S CB 1.520 64.736 63.200 0.027 0.000 1.131 153 S HN 0.378 nan 8.310 nan 0.000 0.467 154 G N -0.537 108.334 108.800 0.118 0.000 2.143 154 G HA2 0.338 4.298 3.960 -0.000 0.000 0.248 154 G HA3 0.338 4.298 3.960 -0.000 0.000 0.248 154 G C 0.196 175.080 174.900 -0.028 0.000 0.991 154 G CA 0.188 45.353 45.100 0.108 0.000 0.689 154 G HN 2.041 nan 8.290 nan 0.000 0.522 155 A N -2.213 120.694 122.820 0.146 0.000 2.608 155 A HA 1.103 5.423 4.320 -0.000 0.000 0.292 155 A C 0.486 178.205 177.584 0.226 0.000 1.066 155 A CA 0.888 53.008 52.037 0.139 0.000 0.676 155 A CB 0.990 19.955 19.000 -0.058 0.000 1.277 155 A HN 2.152 nan 8.150 nan 0.000 0.413 156 G N -0.480 108.485 108.800 0.275 0.000 2.593 156 G HA2 0.521 4.481 3.960 -0.000 0.000 0.103 156 G HA3 0.521 4.481 3.960 -0.000 0.000 0.103 156 G C -1.282 173.845 174.900 0.378 0.000 1.103 156 G CA 0.352 45.590 45.100 0.230 0.000 1.109 156 G HN 2.068 nan 8.290 nan 0.000 0.516 157 W N 0.158 121.526 121.300 0.114 0.000 3.118 157 W HA 0.839 5.499 4.660 -0.000 0.000 0.328 157 W C -0.816 175.744 176.519 0.069 0.000 1.239 157 W CA -1.173 56.257 57.345 0.142 0.000 1.176 157 W CB 1.253 30.867 29.460 0.256 0.000 1.433 157 W HN 1.360 nan 8.180 nan 0.000 0.562 158 A N 1.393 124.342 122.820 0.215 0.000 2.374 158 A HA 0.462 4.782 4.320 -0.000 0.000 0.317 158 A C -1.489 176.307 177.584 0.353 0.000 1.094 158 A CA -0.916 51.163 52.037 0.070 0.000 0.765 158 A CB 1.085 19.839 19.000 -0.409 0.000 1.268 158 A HN 0.814 nan 8.150 nan 0.000 0.438 159 H N 2.361 121.658 119.070 0.380 0.000 3.157 159 H HA 0.401 4.957 4.556 -0.000 0.000 0.260 159 H C 1.162 176.616 175.328 0.211 0.000 1.232 159 H CA 0.419 56.693 56.048 0.376 0.000 1.488 159 H CB 0.718 30.744 29.762 0.439 0.000 1.548 159 H HN 0.734 nan 8.280 nan 0.000 0.487 160 A N 5.174 127.995 122.820 0.001 0.000 1.877 160 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 160 A C 2.378 180.059 177.584 0.162 0.000 1.186 160 A CA 1.372 53.297 52.037 -0.185 0.000 0.620 160 A CB -0.355 17.995 19.000 -1.083 0.000 0.822 160 A HN 0.774 nan 8.150 nan 0.000 0.443 161 R N -0.337 120.240 120.500 0.128 0.000 2.083 161 R HA -0.174 4.165 4.340 -0.000 0.000 0.237 161 R C 1.660 178.052 176.300 0.154 0.000 1.137 161 R CA 1.873 58.076 56.100 0.171 0.000 0.951 161 R CB -0.362 30.028 30.300 0.151 0.000 0.851 161 R HN 0.507 nan 8.270 nan 0.000 0.434 162 N N 0.537 119.350 118.700 0.189 0.000 2.244 162 N HA -0.108 4.631 4.740 -0.000 0.000 0.183 162 N C 1.530 176.708 175.510 -0.552 0.000 1.016 162 N CA 1.379 54.279 53.050 -0.250 0.000 0.866 162 N CB -0.315 37.893 38.487 -0.464 0.000 0.980 162 N HN 0.322 nan 8.380 nan 0.000 0.430 163 A N 0.910 123.517 122.820 -0.354 0.000 1.898 163 A HA -0.062 4.257 4.320 -0.000 0.000 0.216 163 A C 2.204 179.872 177.584 0.140 0.000 1.181 163 A CA 0.876 52.832 52.037 -0.135 0.000 0.620 163 A CB -0.736 18.669 19.000 0.677 0.000 0.819 163 A HN 0.224 nan 8.150 nan 0.000 0.442 164 L N 0.098 121.483 121.223 0.269 0.000 2.012 164 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 164 L C 2.404 179.316 176.870 0.070 0.000 1.073 164 L CA 2.093 57.075 54.840 0.237 0.000 0.748 164 L CB -0.619 41.614 42.059 0.289 0.000 0.891 164 L HN 0.161 nan 8.230 nan 0.000 0.431 165 V N 0.083 119.994 119.914 -0.005 0.000 2.295 165 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 165 V C 2.813 178.840 176.094 -0.112 0.000 1.049 165 V CA 1.682 63.936 62.300 -0.076 0.000 1.024 165 V CB -1.437 30.340 31.823 -0.077 0.000 0.648 165 V HN 0.630 nan 8.190 nan 0.000 0.447 166 A N 0.040 122.774 122.820 -0.144 0.000 1.908 166 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 166 A C 2.426 179.926 177.584 -0.140 0.000 1.181 166 A CA 2.376 54.335 52.037 -0.130 0.000 0.627 166 A CB -0.849 18.078 19.000 -0.122 0.000 0.818 166 A HN 0.594 nan 8.150 nan 0.000 0.445 167 A N -0.342 122.416 122.820 -0.105 0.000 1.898 167 A HA 0.189 4.509 4.320 -0.000 0.000 0.216 167 A C 2.514 180.078 177.584 -0.033 0.000 1.181 167 A CA 2.084 54.086 52.037 -0.058 0.000 0.620 167 A CB -1.006 18.088 19.000 0.156 0.000 0.819 167 A HN 1.068 nan 8.150 nan 0.000 0.442 168 A N -0.126 122.652 122.820 -0.071 0.000 1.898 168 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 168 A C 2.241 179.642 177.584 -0.305 0.000 1.181 168 A CA 1.480 53.375 52.037 -0.236 0.000 0.620 168 A CB -0.453 18.270 19.000 -0.462 0.000 0.819 168 A HN 0.547 nan 8.150 nan 0.000 0.442 169 R N -0.804 119.563 120.500 -0.223 0.000 2.092 169 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 169 R C 2.217 178.465 176.300 -0.086 0.000 1.119 169 R CA 1.462 57.465 56.100 -0.161 0.000 0.970 169 R CB -0.211 30.015 30.300 -0.123 0.000 0.864 169 R HN 0.648 nan 8.270 nan 0.000 0.440 170 E N 1.138 121.289 120.200 -0.082 0.000 2.072 170 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 170 E C 1.861 178.453 176.600 -0.015 0.000 0.985 170 E CA 1.490 57.851 56.400 -0.065 0.000 0.801 170 E CB -0.153 29.477 29.700 -0.116 0.000 0.750 170 E HN 0.284 nan 8.360 nan 0.000 0.452 171 A N 0.682 123.521 122.820 0.031 0.000 1.892 171 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 171 A C 2.276 179.967 177.584 0.177 0.000 1.188 171 A CA 2.077 54.188 52.037 0.125 0.000 0.631 171 A CB -0.888 18.270 19.000 0.263 0.000 0.822 171 A HN 0.482 nan 8.150 nan 0.000 0.447 172 Q N -0.375 119.548 119.800 0.205 0.000 2.050 172 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 172 Q C 1.587 177.640 176.000 0.088 0.000 0.980 172 Q CA 1.034 56.951 55.803 0.190 0.000 0.840 172 Q CB -0.082 28.708 28.738 0.086 0.000 0.898 172 Q HN 0.657 nan 8.270 nan 0.000 0.424 176 V N 1.816 121.772 119.914 0.070 0.000 2.637 176 V HA 0.278 4.398 4.120 -0.000 0.000 0.296 176 V C 0.210 176.331 176.094 0.046 0.000 1.046 176 V CA 0.203 62.510 62.300 0.011 0.000 1.066 176 V CB 1.186 32.996 31.823 -0.021 0.000 0.968 176 V HN 0.213 nan 8.190 nan 0.000 0.483 177 K N 4.884 125.247 120.400 -0.063 0.000 2.253 177 K HA 0.480 4.800 4.320 -0.000 0.000 0.277 177 K C -1.054 175.453 176.600 -0.154 0.000 1.053 177 K CA -0.027 56.257 56.287 -0.006 0.000 0.892 177 K CB 0.873 33.380 32.500 0.012 0.000 1.102 177 K HN 0.440 nan 8.250 nan 0.000 0.469 178 F N 2.165 122.096 119.950 -0.031 0.000 2.404 178 F HA 0.240 4.767 4.527 0.000 0.000 0.354 178 F C 0.046 175.816 175.800 -0.050 0.000 1.122 178 F CA -0.909 57.061 58.000 -0.050 0.000 1.080 178 F CB 1.350 40.337 39.000 -0.022 0.000 1.131 178 F HN 0.097 nan 8.300 nan 0.000 0.471 179 V N 3.325 123.239 119.914 -0.000 0.000 2.293 179 V HA 0.400 4.520 4.120 -0.000 0.000 0.275 179 V C -0.136 175.965 176.094 0.012 0.000 1.021 179 V CA -0.515 61.775 62.300 -0.016 0.000 0.815 179 V CB 1.060 32.779 31.823 -0.174 0.000 1.025 179 V HN 0.848 nan 8.190 nan 0.000 0.448 180 T N 0.978 115.577 114.554 0.076 0.000 2.916 180 T HA 0.939 5.289 4.350 -0.000 0.000 0.292 180 T C 0.074 174.810 174.700 0.060 0.000 1.055 180 T CA -0.154 61.997 62.100 0.085 0.000 1.009 180 T CB 2.043 70.988 68.868 0.129 0.000 1.118 180 T HN 1.740 nan 8.240 nan 0.000 0.497 181 G N 0.577 109.403 108.800 0.044 0.000 2.663 181 G HA2 0.225 4.185 3.960 -0.000 0.000 0.686 181 G HA3 0.225 4.185 3.960 -0.000 0.000 0.686 181 G C -0.616 174.267 174.900 -0.028 0.000 1.288 181 G CA -0.535 44.562 45.100 -0.006 0.000 0.836 181 G HN 1.041 nan 8.290 nan 0.000 0.584 182 T N 2.368 116.882 114.554 -0.067 0.000 2.829 182 T HA 0.691 5.041 4.350 -0.000 0.000 0.280 182 T C -1.087 173.601 174.700 -0.020 0.000 0.999 182 T CA -0.550 61.518 62.100 -0.054 0.000 0.983 182 T CB 2.412 71.210 68.868 -0.117 0.000 0.968 182 T HN 0.547 nan 8.240 nan 0.000 0.446 183 P HA -0.001 nan 4.420 nan 0.000 0.251 183 P C 1.164 178.501 177.300 0.062 0.000 1.223 183 P CA 0.274 63.391 63.100 0.028 0.000 0.796 183 P CB 0.311 32.033 31.700 0.036 0.000 1.068 184 Q N 0.188 120.031 119.800 0.072 0.000 2.170 184 Q HA -0.047 4.293 4.340 -0.000 0.000 0.203 184 Q C 1.756 177.827 176.000 0.118 0.000 0.976 184 Q CA 2.038 57.917 55.803 0.126 0.000 0.858 184 Q CB -1.127 27.690 28.738 0.132 0.000 0.907 184 Q HN 0.164 nan 8.270 nan 0.000 0.433 185 G N 0.659 109.489 108.800 0.050 0.000 3.159 185 G HA2 0.043 4.003 3.960 -0.000 0.000 0.232 185 G HA3 0.043 4.003 3.960 -0.000 0.000 0.232 185 G C 0.070 174.974 174.900 0.008 0.000 1.116 185 G CA -0.635 44.460 45.100 -0.007 0.000 0.767 185 G HN 0.177 nan 8.290 nan 0.000 0.547 186 R N 1.401 121.928 120.500 0.045 0.000 2.248 186 R HA 0.376 4.716 4.340 -0.000 0.000 0.337 186 R C -0.500 175.861 176.300 0.102 0.000 1.085 186 R CA -0.303 55.842 56.100 0.076 0.000 0.934 186 R CB 0.487 30.827 30.300 0.066 0.000 1.034 186 R HN -0.067 nan 8.270 nan 0.000 0.465 187 V N 6.278 126.249 119.914 0.095 0.000 2.585 187 V HA -0.047 4.073 4.120 -0.000 0.000 0.296 187 V C 1.320 177.588 176.094 0.290 0.000 1.035 187 V CA 0.225 62.590 62.300 0.108 0.000 1.084 187 V CB 1.297 33.049 31.823 -0.118 0.000 0.953 187 V HN 0.807 nan 8.190 nan 0.000 0.483 188 V N 1.397 121.458 119.914 0.245 0.000 3.621 188 V HA 0.403 4.523 4.120 -0.000 0.000 0.263 188 V C 0.589 176.854 176.094 0.284 0.000 1.272 188 V CA 0.840 63.288 62.300 0.248 0.000 1.080 188 V CB 0.596 32.508 31.823 0.148 0.000 0.816 188 V HN 0.863 nan 8.190 nan 0.000 0.451 189 T N 0.147 114.868 114.554 0.278 0.000 2.893 189 T HA 0.524 4.874 4.350 -0.000 0.000 0.337 189 T C -1.154 173.647 174.700 0.167 0.000 1.587 189 T CA -0.545 61.733 62.100 0.295 0.000 1.066 189 T CB 1.424 70.426 68.868 0.222 0.000 1.414 189 T HN 0.285 nan 8.240 nan 0.000 0.488 190 L N 3.231 124.534 121.223 0.134 0.000 2.453 190 L HA 0.518 4.858 4.340 -0.000 0.000 0.261 190 L C 0.318 177.050 176.870 -0.230 0.000 1.179 190 L CA -0.745 53.986 54.840 -0.182 0.000 0.813 190 L CB 0.424 42.195 42.059 -0.480 0.000 1.110 190 L HN 0.561 nan 8.230 nan 0.000 0.466 191 I N 1.786 122.166 120.570 -0.317 0.000 2.291 191 I HA 0.151 4.321 4.170 -0.000 0.000 0.292 191 I C -0.698 175.192 176.117 -0.377 0.000 1.064 191 I CA 0.058 61.237 61.300 -0.201 0.000 1.269 191 I CB 0.139 38.066 38.000 -0.121 0.000 1.418 191 I HN 0.275 nan 8.210 nan 0.000 0.485 192 F N 5.515 125.401 119.950 -0.106 0.000 2.371 192 F HA 0.375 4.902 4.527 -0.000 0.000 0.363 192 F C 0.519 176.262 175.800 -0.096 0.000 1.122 192 F CA -0.395 57.509 58.000 -0.160 0.000 1.129 192 F CB 0.876 39.768 39.000 -0.180 0.000 1.173 192 F HN 0.426 nan 8.300 nan 0.000 0.489 193 E N 3.525 123.750 120.200 0.042 0.000 2.265 193 E HA 0.250 4.599 4.350 -0.000 0.000 0.262 193 E C -0.752 175.871 176.600 0.038 0.000 0.889 193 E CA -0.626 55.793 56.400 0.032 0.000 0.789 193 E CB 0.659 30.356 29.700 -0.005 0.000 1.221 193 E HN 0.754 nan 8.360 nan 0.000 0.414 194 N N 4.319 123.048 118.700 0.050 0.000 2.705 194 N HA -0.253 4.487 4.740 -0.000 0.000 0.255 194 N C -0.861 174.699 175.510 0.084 0.000 1.008 194 N CA 0.909 53.989 53.050 0.051 0.000 0.742 194 N CB -1.212 37.291 38.487 0.027 0.000 0.906 194 N HN 0.834 nan 8.380 nan 0.000 0.541 195 N N -1.275 117.505 118.700 0.132 0.000 2.735 195 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 195 N C -1.067 174.631 175.510 0.313 0.000 1.083 195 N CA 1.088 54.286 53.050 0.247 0.000 0.703 195 N CB -0.314 38.295 38.487 0.203 0.000 1.005 195 N HN 0.591 nan 8.380 nan 0.000 0.550 196 D N -0.998 119.488 120.400 0.143 0.000 2.583 196 D HA 0.445 5.085 4.640 -0.000 0.000 0.248 196 D C -1.107 175.067 176.300 -0.210 0.000 1.209 196 D CA -0.434 53.603 54.000 0.063 0.000 0.848 196 D CB 1.926 42.764 40.800 0.063 0.000 1.431 196 D HN -0.130 nan 8.370 nan 0.000 0.436 197 V N 3.325 123.050 119.914 -0.316 0.000 2.370 197 V HA 0.339 4.458 4.120 -0.000 0.000 0.279 197 V C 0.717 176.647 176.094 -0.273 0.000 1.029 197 V CA -0.408 61.590 62.300 -0.503 0.000 0.870 197 V CB 1.469 32.939 31.823 -0.588 0.000 0.984 197 V HN 0.440 nan 8.190 nan 0.000 0.451 198 K N 3.321 123.576 120.400 -0.243 0.000 2.373 198 K HA 0.477 4.797 4.320 -0.000 0.000 0.202 198 K C 0.683 177.221 176.600 -0.103 0.000 1.025 198 K CA 0.580 56.789 56.287 -0.130 0.000 1.115 198 K CB 1.146 33.593 32.500 -0.089 0.000 0.858 198 K HN 0.935 nan 8.250 nan 0.000 0.525 199 G N 0.300 109.014 108.800 -0.144 0.000 2.288 199 G HA2 0.359 4.319 3.960 -0.000 0.000 0.227 199 G HA3 0.359 4.319 3.960 -0.000 0.000 0.227 199 G C -1.657 173.184 174.900 -0.098 0.000 1.339 199 G CA -0.304 44.752 45.100 -0.074 0.000 1.057 199 G HN 0.282 nan 8.290 nan 0.000 0.470 200 A N -1.800 121.025 122.820 0.008 0.000 2.593 200 A HA 0.900 5.220 4.320 -0.000 0.000 0.290 200 A C -1.343 176.328 177.584 0.146 0.000 1.126 200 A CA -0.082 51.961 52.037 0.011 0.000 0.695 200 A CB 1.722 20.686 19.000 -0.059 0.000 1.290 200 A HN 1.846 nan 8.150 nan 0.000 0.414 201 V N 1.322 121.317 119.914 0.136 0.000 2.540 201 V HA 0.647 4.767 4.120 -0.000 0.000 0.302 201 V C 0.388 176.603 176.094 0.201 0.000 1.035 201 V CA -0.091 62.318 62.300 0.182 0.000 0.873 201 V CB 1.761 33.650 31.823 0.109 0.000 0.992 201 V HN 1.185 nan 8.190 nan 0.000 0.428 202 T N 1.415 116.134 114.554 0.275 0.000 2.927 202 T HA 0.608 4.958 4.350 -0.000 0.000 0.281 202 T C 1.204 175.998 174.700 0.157 0.000 0.998 202 T CA 0.040 62.274 62.100 0.224 0.000 1.019 202 T CB 1.832 70.887 68.868 0.312 0.000 1.061 202 T HN 0.796 nan 8.240 nan 0.000 0.518 203 A N 0.861 123.755 122.820 0.123 0.000 2.121 203 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 203 A C 1.826 179.453 177.584 0.072 0.000 1.154 203 A CA 1.229 53.319 52.037 0.089 0.000 0.679 203 A CB -0.883 18.160 19.000 0.071 0.000 0.795 203 A HN 0.944 nan 8.150 nan 0.000 0.458 204 D N -0.967 119.484 120.400 0.085 0.000 2.378 204 D HA 0.166 4.806 4.640 -0.000 0.000 0.227 204 D C 1.053 177.382 176.300 0.048 0.000 1.012 204 D CA 0.745 54.784 54.000 0.065 0.000 0.905 204 D CB -0.933 39.913 40.800 0.077 0.000 0.895 204 D HN 0.820 nan 8.370 nan 0.000 0.532 205 G N 0.698 109.533 108.800 0.057 0.000 2.368 205 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.290 205 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.290 205 G C -0.270 174.629 174.900 -0.001 0.000 1.098 205 G CA 0.167 45.285 45.100 0.031 0.000 1.073 205 G HN 0.602 nan 8.290 nan 0.000 0.511 206 K N -0.009 120.395 120.400 0.008 0.000 2.345 206 K HA 0.695 5.015 4.320 -0.000 0.000 0.255 206 K C 0.159 176.653 176.600 -0.176 0.000 0.934 206 K CA -1.199 55.007 56.287 -0.136 0.000 0.801 206 K CB 1.049 33.435 32.500 -0.190 0.000 1.137 206 K HN 0.174 nan 8.250 nan 0.000 0.424 207 I N 3.911 124.316 120.570 -0.274 0.000 2.342 207 I HA 0.203 4.372 4.170 -0.000 0.000 0.291 207 I C -0.905 175.011 176.117 -0.335 0.000 1.010 207 I CA -0.429 60.763 61.300 -0.181 0.000 1.308 207 I CB 0.709 38.638 38.000 -0.118 0.000 1.400 207 I HN 0.532 nan 8.210 nan 0.000 0.488 208 W N 6.791 128.071 121.300 -0.033 0.000 2.394 208 W HA 0.469 5.129 4.660 0.000 0.000 0.312 208 W C 0.103 176.593 176.519 -0.049 0.000 0.981 208 W CA -0.603 56.720 57.345 -0.037 0.000 1.519 208 W CB 0.555 29.989 29.460 -0.042 0.000 1.304 208 W HN 0.250 nan 8.180 nan 0.000 0.412 209 R N 2.289 122.849 120.500 0.100 0.000 2.441 209 R HA 0.766 5.106 4.340 -0.000 0.000 0.284 209 R C -0.069 176.271 176.300 0.067 0.000 1.070 209 R CA -0.339 55.792 56.100 0.050 0.000 1.047 209 R CB 1.240 31.544 30.300 0.006 0.000 1.016 209 R HN 0.453 nan 8.270 nan 0.000 0.477 210 A N 1.739 124.578 122.820 0.031 0.000 2.549 210 A HA 0.245 4.565 4.320 -0.000 0.000 0.297 210 A C 0.171 177.756 177.584 0.002 0.000 1.061 210 A CA -0.724 51.331 52.037 0.029 0.000 0.690 210 A CB 1.526 20.544 19.000 0.031 0.000 1.287 210 A HN 0.840 nan 8.150 nan 0.000 0.402 211 E N 0.266 120.474 120.200 0.014 0.000 2.150 211 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 211 E C 0.060 176.642 176.600 -0.031 0.000 0.985 211 E CA 0.832 57.238 56.400 0.010 0.000 0.814 211 E CB 0.126 29.847 29.700 0.035 0.000 0.752 211 E HN 0.389 nan 8.360 nan 0.000 0.466 212 R N 0.140 120.600 120.500 -0.066 0.000 2.673 212 R HA 0.379 4.719 4.340 -0.000 0.000 0.281 212 R C -0.958 175.224 176.300 -0.195 0.000 0.991 212 R CA -0.335 55.652 56.100 -0.189 0.000 0.896 212 R CB 2.061 32.184 30.300 -0.296 0.000 1.201 212 R HN -0.134 nan 8.270 nan 0.000 0.457 213 T N 2.786 117.172 114.554 -0.281 0.000 2.812 213 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 213 T C -0.582 173.947 174.700 -0.285 0.000 0.990 213 T CA -0.371 61.617 62.100 -0.188 0.000 0.960 213 T CB 0.602 69.371 68.868 -0.165 0.000 0.948 213 T HN 0.217 nan 8.240 nan 0.000 0.438 214 F N 2.724 122.628 119.950 -0.077 0.000 2.415 214 F HA 0.506 5.033 4.527 -0.000 0.000 0.348 214 F C 0.047 175.839 175.800 -0.013 0.000 1.119 214 F CA -1.120 56.861 58.000 -0.032 0.000 1.069 214 F CB 1.071 40.048 39.000 -0.038 0.000 1.124 214 F HN 0.262 nan 8.300 nan 0.000 0.472 215 L N 4.956 126.299 121.223 0.200 0.000 2.259 215 L HA 0.398 4.737 4.340 -0.000 0.000 0.288 215 L C -0.723 176.299 176.870 0.254 0.000 1.051 215 L CA -0.031 54.920 54.840 0.184 0.000 0.824 215 L CB 0.333 42.539 42.059 0.246 0.000 1.206 215 L HN 0.788 nan 8.230 nan 0.000 0.429 216 C N 4.574 123.989 119.300 0.192 0.000 2.751 216 C HA 0.472 4.932 4.460 -0.000 0.000 0.248 216 C C 1.400 176.482 174.990 0.153 0.000 1.710 216 C CA -0.188 58.954 59.018 0.207 0.000 1.676 216 C CB -0.564 27.299 27.740 0.205 0.000 3.106 216 C HN 0.902 nan 8.230 nan 0.000 0.502 217 A N 0.345 123.264 122.820 0.164 0.000 2.337 217 A HA 0.539 4.859 4.320 -0.000 0.000 0.227 217 A C 1.572 179.238 177.584 0.137 0.000 1.259 217 A CA 0.955 53.096 52.037 0.173 0.000 0.870 217 A CB -0.589 18.587 19.000 0.294 0.000 0.927 217 A HN 1.083 nan 8.150 nan 0.000 0.497 218 G N 0.092 108.937 108.800 0.074 0.000 2.651 218 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.315 218 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.315 218 G C 1.497 176.414 174.900 0.029 0.000 1.258 218 G CA 1.226 46.328 45.100 0.003 0.000 1.002 218 G HN 1.498 nan 8.290 nan 0.000 0.551 219 A N -0.994 121.861 122.820 0.059 0.000 2.076 219 A HA 0.227 4.547 4.320 -0.000 0.000 0.220 219 A C 2.486 180.062 177.584 -0.015 0.000 1.160 219 A CA 2.715 54.789 52.037 0.062 0.000 0.653 219 A CB -0.410 18.678 19.000 0.147 0.000 0.801 219 A HN 1.290 nan 8.150 nan 0.000 0.455 220 S N -0.470 115.243 115.700 0.021 0.000 2.575 220 S HA 0.328 4.798 4.470 -0.000 0.000 0.215 220 S C 1.884 176.578 174.600 0.156 0.000 0.966 220 S CA 0.401 58.622 58.200 0.036 0.000 0.911 220 S CB 0.047 63.302 63.200 0.091 0.000 0.780 220 S HN 0.744 nan 8.310 nan 0.000 0.514 221 A N 1.850 124.785 122.820 0.192 0.000 1.940 221 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 221 A C 2.242 180.105 177.584 0.466 0.000 1.176 221 A CA 1.635 53.898 52.037 0.375 0.000 0.631 221 A CB -1.227 17.879 19.000 0.175 0.000 0.814 221 A HN 0.525 nan 8.150 nan 0.000 0.446 222 G N -1.133 107.771 108.800 0.173 0.000 2.509 222 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 222 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 222 G C 1.450 176.448 174.900 0.164 0.000 1.124 222 G CA 0.886 46.155 45.100 0.282 0.000 0.776 222 G HN 0.661 nan 8.290 nan 0.000 0.547 223 Q N -0.803 118.939 119.800 -0.097 0.000 2.234 223 Q HA -0.096 4.244 4.340 -0.000 0.000 0.206 223 Q C 1.433 177.209 176.000 -0.373 0.000 0.980 223 Q CA 1.167 56.726 55.803 -0.407 0.000 0.869 223 Q CB -0.130 28.080 28.738 -0.879 0.000 0.912 223 Q HN 0.577 nan 8.270 nan 0.000 0.436 224 F N -0.946 119.153 119.950 0.248 0.000 2.720 224 F HA 0.299 4.826 4.527 -0.000 0.000 0.301 224 F C 0.049 176.029 175.800 0.300 0.000 1.103 224 F CA -0.262 57.887 58.000 0.248 0.000 1.291 224 F CB 0.735 39.867 39.000 0.221 0.000 1.086 224 F HN -0.002 nan 8.300 nan 0.000 0.592 225 L N -0.451 121.042 121.223 0.450 0.000 2.556 225 L HA 0.404 4.744 4.340 -0.000 0.000 0.257 225 L C -1.490 175.561 176.870 0.301 0.000 0.955 225 L CA -0.705 54.337 54.840 0.336 0.000 0.850 225 L CB 1.561 43.731 42.059 0.186 0.000 1.398 225 L HN -0.245 nan 8.230 nan 0.000 0.412 226 D N 2.373 122.919 120.400 0.242 0.000 2.352 226 D HA 0.164 4.803 4.640 -0.000 0.000 0.245 226 D C 0.293 176.789 176.300 0.328 0.000 1.224 226 D CA 0.328 54.495 54.000 0.277 0.000 0.879 226 D CB 0.281 41.214 40.800 0.222 0.000 1.057 226 D HN 0.415 nan 8.370 nan 0.000 0.491 227 F N 2.781 122.930 119.950 0.331 0.000 2.773 227 F HA 0.088 4.615 4.527 0.000 0.000 0.304 227 F C 1.089 176.903 175.800 0.024 0.000 1.129 227 F CA -0.275 57.860 58.000 0.226 0.000 1.378 227 F CB 0.153 39.250 39.000 0.162 0.000 1.095 227 F HN 0.210 nan 8.300 nan 0.000 0.565 228 K N 1.491 122.041 120.400 0.250 0.000 3.257 228 K HA -0.300 4.020 4.320 -0.000 0.000 0.270 228 K C -0.041 176.629 176.600 0.116 0.000 0.984 228 K CA 0.822 57.198 56.287 0.149 0.000 0.739 228 K CB -2.274 30.276 32.500 0.083 0.000 1.351 228 K HN 0.544 nan 8.250 nan 0.000 0.463 229 N N -1.093 117.751 118.700 0.241 0.000 2.828 229 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 229 N C 0.832 176.415 175.510 0.123 0.000 1.044 229 N CA 1.675 54.910 53.050 0.308 0.000 0.851 229 N CB -0.929 37.672 38.487 0.190 0.000 1.136 229 N HN 0.675 nan 8.380 nan 0.000 0.572 230 Q N -0.159 119.696 119.800 0.091 0.000 2.297 230 Q HA 0.129 4.469 4.340 -0.000 0.000 0.204 230 Q C 0.339 176.355 176.000 0.028 0.000 0.962 230 Q CA 0.764 56.559 55.803 -0.014 0.000 0.879 230 Q CB 0.315 28.996 28.738 -0.095 0.000 0.947 230 Q HN 0.434 nan 8.270 nan 0.000 0.462 231 L N 0.601 121.887 121.223 0.105 0.000 2.341 231 L HA 0.459 4.799 4.340 -0.000 0.000 0.278 231 L C -0.320 176.717 176.870 0.277 0.000 1.005 231 L CA -0.579 54.299 54.840 0.062 0.000 0.818 231 L CB 1.886 43.821 42.059 -0.208 0.000 1.259 231 L HN -0.088 nan 8.230 nan 0.000 0.418 232 R N 4.511 125.189 120.500 0.296 0.000 2.287 232 R HA 0.387 4.727 4.340 -0.000 0.000 0.316 232 R C -2.580 173.872 176.300 0.253 0.000 1.050 232 R CA -1.658 54.668 56.100 0.377 0.000 0.983 232 R CB 1.259 31.846 30.300 0.477 0.000 1.140 232 R HN 0.232 nan 8.270 nan 0.000 0.528 233 P HA 0.034 nan 4.420 nan 0.000 0.263 233 P C -1.190 176.379 177.300 0.447 0.000 1.195 233 P CA 0.469 63.752 63.100 0.304 0.000 0.762 233 P CB 1.091 32.894 31.700 0.170 0.000 0.799 234 T N 1.890 116.697 114.554 0.422 0.000 2.956 234 T HA 0.681 5.031 4.350 -0.000 0.000 0.312 234 T C -0.938 173.487 174.700 -0.459 0.000 1.151 234 T CA -0.493 61.568 62.100 -0.065 0.000 1.024 234 T CB 1.889 70.647 68.868 -0.183 0.000 1.140 234 T HN 0.263 nan 8.240 nan 0.000 0.473 235 A N 2.114 124.283 122.820 -1.085 0.000 2.350 235 A HA 0.863 5.183 4.320 -0.000 0.000 0.324 235 A C -1.095 175.970 177.584 -0.865 0.000 1.118 235 A CA -0.812 50.570 52.037 -1.091 0.000 0.783 235 A CB 1.291 19.283 19.000 -1.681 0.000 1.236 235 A HN 0.737 nan 8.150 nan 0.000 0.457 236 W N 0.041 121.280 121.300 -0.102 0.000 3.075 236 W HA 0.632 5.292 4.660 -0.000 0.000 0.334 236 W C -0.306 176.263 176.519 0.083 0.000 1.288 236 W CA -0.187 57.185 57.345 0.045 0.000 1.095 236 W CB 1.827 31.248 29.460 -0.066 0.000 1.564 236 W HN 0.831 nan 8.180 nan 0.000 0.629 237 T N 0.310 115.085 114.554 0.368 0.000 2.912 237 T HA 0.703 5.053 4.350 -0.000 0.000 0.299 237 T C -1.005 173.753 174.700 0.095 0.000 1.052 237 T CA -0.751 61.472 62.100 0.205 0.000 0.996 237 T CB 2.018 71.038 68.868 0.252 0.000 1.070 237 T HN 0.376 nan 8.240 nan 0.000 0.465 238 L N 0.399 121.619 121.223 -0.004 0.000 2.465 238 L HA 0.994 5.334 4.340 -0.000 0.000 0.257 238 L C -0.870 175.905 176.870 -0.158 0.000 0.988 238 L CA -1.207 53.602 54.840 -0.052 0.000 0.827 238 L CB 1.806 43.885 42.059 0.034 0.000 1.397 238 L HN 0.834 nan 8.230 nan 0.000 0.410 239 V N -2.152 117.653 119.914 -0.182 0.000 3.160 239 V HA 0.698 4.818 4.120 -0.000 0.000 0.310 239 V C -1.018 175.142 176.094 0.109 0.000 1.181 239 V CA -0.423 61.712 62.300 -0.275 0.000 1.047 239 V CB 1.991 33.243 31.823 -0.951 0.000 1.068 239 V HN 0.999 nan 8.190 nan 0.000 0.441 240 H N 1.010 120.045 119.070 -0.058 0.000 2.569 240 H HA 0.706 5.262 4.556 -0.000 0.000 0.357 240 H C -1.171 174.200 175.328 0.072 0.000 1.153 240 H CA -0.852 55.214 56.048 0.030 0.000 1.193 240 H CB 2.664 32.491 29.762 0.108 0.000 1.602 240 H HN 0.580 nan 8.280 nan 0.000 0.523 241 I N 1.854 122.513 120.570 0.149 0.000 2.406 241 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 241 I C -0.163 175.973 176.117 0.031 0.000 0.999 241 I CA -0.712 60.659 61.300 0.118 0.000 1.124 241 I CB 1.677 39.721 38.000 0.073 0.000 1.289 241 I HN 0.591 nan 8.210 nan 0.000 0.441 242 A N 7.955 130.801 122.820 0.043 0.000 2.302 242 A HA 0.560 4.880 4.320 -0.000 0.000 0.295 242 A C -0.229 177.327 177.584 -0.046 0.000 1.235 242 A CA -0.361 51.678 52.037 0.003 0.000 0.876 242 A CB 0.071 19.089 19.000 0.031 0.000 1.133 242 A HN 0.687 nan 8.150 nan 0.000 0.533 243 L N 2.669 123.835 121.223 -0.095 0.000 2.397 243 L HA 0.160 4.500 4.340 -0.000 0.000 0.271 243 L C 0.648 177.486 176.870 -0.052 0.000 1.148 243 L CA -0.256 54.510 54.840 -0.123 0.000 0.825 243 L CB 0.641 42.575 42.059 -0.210 0.000 1.117 243 L HN 0.689 nan 8.230 nan 0.000 0.456 244 K N 3.598 123.978 120.400 -0.033 0.000 2.436 244 K HA 0.026 4.346 4.320 -0.000 0.000 0.275 244 K C -1.543 175.062 176.600 0.008 0.000 0.999 244 K CA -1.213 55.072 56.287 -0.004 0.000 0.980 244 K CB 0.379 32.882 32.500 0.005 0.000 0.919 244 K HN 0.297 nan 8.250 nan 0.000 0.484 245 P HA -0.242 nan 4.420 nan 0.000 0.216 245 P C 0.298 177.620 177.300 0.035 0.000 1.154 245 P CA 1.527 64.641 63.100 0.023 0.000 0.865 245 P CB 0.228 31.941 31.700 0.022 0.000 0.789 246 E N 0.032 120.253 120.200 0.035 0.000 2.106 246 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 246 E C 1.857 178.497 176.600 0.066 0.000 0.984 246 E CA 1.298 57.724 56.400 0.044 0.000 0.806 246 E CB -1.099 28.622 29.700 0.036 0.000 0.750 246 E HN 0.574 nan 8.360 nan 0.000 0.458 247 E N 1.111 121.357 120.200 0.077 0.000 2.481 247 E HA -0.014 4.335 4.350 -0.000 0.000 0.195 247 E C 1.768 178.497 176.600 0.216 0.000 1.047 247 E CA 0.013 56.499 56.400 0.143 0.000 0.867 247 E CB 0.014 29.799 29.700 0.142 0.000 0.858 247 E HN 0.117 nan 8.360 nan 0.000 0.513 248 R N 0.880 121.458 120.500 0.129 0.000 2.073 248 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 248 R C 2.524 178.942 176.300 0.197 0.000 1.134 248 R CA 1.619 57.800 56.100 0.135 0.000 0.952 248 R CB -0.418 29.922 30.300 0.067 0.000 0.850 248 R HN 0.275 nan 8.270 nan 0.000 0.433 249 A N 1.090 123.993 122.820 0.139 0.000 1.948 249 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 249 A C 2.055 179.707 177.584 0.114 0.000 1.177 249 A CA 1.337 53.441 52.037 0.112 0.000 0.636 249 A CB -0.546 18.500 19.000 0.076 0.000 0.815 249 A HN 0.270 nan 8.150 nan 0.000 0.449 250 L N -1.716 119.575 121.223 0.113 0.000 2.131 250 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 250 L C 1.899 178.720 176.870 -0.080 0.000 1.092 250 L CA 1.748 56.576 54.840 -0.019 0.000 0.759 250 L CB -0.582 41.404 42.059 -0.122 0.000 0.903 250 L HN 0.507 nan 8.230 nan 0.000 0.435 251 Y N -0.835 119.491 120.300 0.043 0.000 2.490 251 Y HA 0.117 4.667 4.550 -0.000 0.000 0.281 251 Y C 1.170 177.116 175.900 0.076 0.000 1.174 251 Y CA -0.156 57.977 58.100 0.056 0.000 1.295 251 Y CB -0.193 38.290 38.460 0.037 0.000 1.062 251 Y HN 0.053 nan 8.280 nan 0.000 0.522 252 K N 1.453 121.972 120.400 0.198 0.000 2.401 252 K HA -0.033 4.287 4.320 -0.000 0.000 0.278 252 K C 0.318 177.019 176.600 0.169 0.000 1.018 252 K CA 0.300 56.691 56.287 0.174 0.000 0.981 252 K CB 0.171 32.757 32.500 0.143 0.000 0.933 252 K HN 0.279 nan 8.250 nan 0.000 0.477 253 N N 1.164 119.989 118.700 0.208 0.000 2.828 253 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 253 N C 0.025 175.665 175.510 0.217 0.000 1.044 253 N CA 1.361 54.545 53.050 0.222 0.000 0.851 253 N CB -1.843 36.745 38.487 0.169 0.000 1.136 253 N HN 0.702 nan 8.380 nan 0.000 0.572 254 I N -0.898 119.801 120.570 0.213 0.000 2.754 254 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 254 I C -1.672 174.595 176.117 0.249 0.000 1.166 254 I CA -1.214 60.210 61.300 0.207 0.000 1.417 254 I CB 0.143 38.273 38.000 0.216 0.000 1.382 254 I HN -0.189 nan 8.210 nan 0.000 0.588 255 P HA 0.065 nan 4.420 nan 0.000 0.272 255 P C -0.334 177.089 177.300 0.206 0.000 1.230 255 P CA -0.309 62.971 63.100 0.302 0.000 0.788 255 P CB 0.684 32.673 31.700 0.483 0.000 0.949 256 V N 3.004 123.015 119.914 0.162 0.000 2.585 256 V HA -0.013 4.107 4.120 -0.000 0.000 0.296 256 V C 0.813 176.861 176.094 -0.076 0.000 1.035 256 V CA 0.377 62.635 62.300 -0.070 0.000 1.084 256 V CB -0.378 31.379 31.823 -0.110 0.000 0.953 256 V HN 0.318 nan 8.190 nan 0.000 0.483 257 I N 6.277 126.652 120.570 -0.326 0.000 2.312 257 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 257 I C -0.442 175.600 176.117 -0.125 0.000 1.008 257 I CA -0.213 60.934 61.300 -0.257 0.000 1.226 257 I CB 0.842 38.471 38.000 -0.618 0.000 1.371 257 I HN 0.591 nan 8.210 nan 0.000 0.468 258 F N 7.802 127.736 119.950 -0.028 0.000 2.539 258 F HA 0.476 5.003 4.527 -0.000 0.000 0.318 258 F C -0.716 175.104 175.800 0.034 0.000 1.135 258 F CA -0.547 57.454 58.000 0.002 0.000 0.915 258 F CB 1.350 40.276 39.000 -0.124 0.000 1.176 258 F HN 0.428 nan 8.300 nan 0.000 0.440 259 N N 7.315 125.554 118.700 -0.767 0.000 2.442 259 N HA 0.214 4.954 4.740 -0.000 0.000 0.274 259 N C 0.663 175.504 175.510 -1.114 0.000 1.002 259 N CA -0.339 52.144 53.050 -0.946 0.000 0.910 259 N CB 1.601 39.404 38.487 -1.140 0.000 1.244 259 N HN 1.022 nan 8.380 nan 0.000 0.492 260 I N 2.634 122.581 120.570 -1.038 0.000 2.530 260 I HA -0.175 3.995 4.170 -0.000 0.000 0.257 260 I C 0.673 176.652 176.117 -0.230 0.000 1.179 260 I CA 1.452 62.418 61.300 -0.556 0.000 1.440 260 I CB 0.389 38.291 38.000 -0.163 0.000 1.087 260 I HN 0.588 nan 8.210 nan 0.000 0.440 261 E N -0.489 119.519 120.200 -0.320 0.000 2.538 261 E HA 0.099 4.449 4.350 -0.000 0.000 0.207 261 E C 1.226 177.737 176.600 -0.150 0.000 1.002 261 E CA -0.212 56.089 56.400 -0.165 0.000 0.952 261 E CB 0.587 30.151 29.700 -0.228 0.000 1.031 261 E HN 0.352 nan 8.360 nan 0.000 0.476 262 R N -0.505 119.873 120.500 -0.205 0.000 2.756 262 R HA 0.327 4.667 4.340 -0.000 0.000 0.170 262 R C 0.851 177.149 176.300 -0.003 0.000 0.800 262 R CA 0.979 57.020 56.100 -0.098 0.000 1.052 262 R CB 1.168 31.384 30.300 -0.139 0.000 1.437 262 R HN 0.131 nan 8.270 nan 0.000 0.607 263 G N 0.867 109.651 108.800 -0.027 0.000 2.362 263 G HA2 0.256 4.216 3.960 -0.000 0.000 0.288 263 G HA3 0.256 4.216 3.960 -0.000 0.000 0.288 263 G C -1.636 173.406 174.900 0.238 0.000 1.305 263 G CA -0.570 44.594 45.100 0.106 0.000 0.910 263 G HN 0.141 nan 8.290 nan 0.000 0.518 264 F N -1.483 118.544 119.950 0.128 0.000 2.686 264 F HA 0.907 5.434 4.527 -0.000 0.000 0.311 264 F C -0.887 174.920 175.800 0.012 0.000 1.128 264 F CA -1.582 56.418 58.000 0.000 0.000 0.946 264 F CB 1.494 40.558 39.000 0.106 0.000 1.336 264 F HN 1.174 nan 8.300 nan 0.000 0.457 265 F N -0.634 119.314 119.950 -0.004 0.000 2.745 265 F HA 0.893 5.420 4.527 -0.000 0.000 0.316 265 F C -2.277 173.323 175.800 -0.333 0.000 1.155 265 F CA -2.166 55.776 58.000 -0.097 0.000 0.937 265 F CB 1.398 40.403 39.000 0.008 0.000 1.361 265 F HN 0.495 nan 8.300 nan 0.000 0.472 266 F N -0.189 119.894 119.950 0.221 0.000 2.629 266 F HA 0.458 4.985 4.527 -0.000 0.000 0.316 266 F C -0.173 175.592 175.800 -0.058 0.000 1.081 266 F CA -1.227 56.725 58.000 -0.080 0.000 0.954 266 F CB 1.818 40.543 39.000 -0.459 0.000 1.337 266 F HN 0.758 nan 8.300 nan 0.000 0.474 267 E N 2.241 122.466 120.200 0.042 0.000 2.459 267 E HA 0.118 4.468 4.350 -0.000 0.000 0.264 267 E C -2.603 173.933 176.600 -0.107 0.000 1.055 267 E CA -1.494 54.931 56.400 0.041 0.000 0.957 267 E CB -0.170 29.591 29.700 0.102 0.000 0.952 267 E HN 0.100 nan 8.360 nan 0.000 0.448 268 P HA -0.041 nan 4.420 nan 0.000 0.269 268 P C -0.490 176.735 177.300 -0.124 0.000 1.209 268 P CA -0.038 62.994 63.100 -0.113 0.000 0.776 268 P CB 0.517 32.169 31.700 -0.080 0.000 0.876 269 D N 2.008 122.312 120.400 -0.161 0.000 2.363 269 D HA -0.025 4.615 4.640 -0.000 0.000 0.240 269 D C 0.829 177.142 176.300 0.022 0.000 1.236 269 D CA 0.003 53.956 54.000 -0.079 0.000 0.927 269 D CB 0.691 41.434 40.800 -0.094 0.000 1.150 269 D HN 0.251 nan 8.370 nan 0.000 0.458 270 E N 0.595 120.853 120.200 0.096 0.000 2.051 270 E HA -0.116 4.234 4.350 -0.000 0.000 0.189 270 E C 1.814 178.453 176.600 0.065 0.000 0.979 270 E CA 0.756 57.211 56.400 0.092 0.000 0.803 270 E CB -0.154 29.620 29.700 0.124 0.000 0.761 270 E HN 0.628 nan 8.360 nan 0.000 0.451 271 E N 0.508 120.750 120.200 0.071 0.000 2.070 271 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 271 E C 1.582 178.200 176.600 0.030 0.000 1.004 271 E CA 1.234 57.663 56.400 0.048 0.000 0.805 271 E CB 0.034 29.764 29.700 0.050 0.000 0.744 271 E HN 0.071 nan 8.360 nan 0.000 0.451 272 R N -1.748 118.766 120.500 0.024 0.000 2.531 272 R HA 0.174 4.514 4.340 -0.000 0.000 0.316 272 R C 0.548 176.851 176.300 0.004 0.000 0.955 272 R CA 0.394 56.503 56.100 0.016 0.000 1.120 272 R CB 1.511 31.824 30.300 0.022 0.000 1.361 272 R HN 0.198 nan 8.270 nan 0.000 0.534 273 G N 2.226 111.023 108.800 -0.004 0.000 2.249 273 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.273 273 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.273 273 G C -0.359 174.501 174.900 -0.066 0.000 1.036 273 G CA 0.316 45.400 45.100 -0.027 0.000 0.824 273 G HN 0.381 nan 8.290 nan 0.000 0.504 274 E N -0.598 119.555 120.200 -0.077 0.000 2.174 274 E HA 0.470 4.820 4.350 -0.000 0.000 0.282 274 E C 0.594 177.068 176.600 -0.209 0.000 0.992 274 E CA -0.687 55.650 56.400 -0.106 0.000 0.803 274 E CB 1.190 30.872 29.700 -0.029 0.000 1.090 274 E HN 0.378 nan 8.360 nan 0.000 0.396 275 I N 3.744 124.207 120.570 -0.179 0.000 2.352 275 I HA 0.073 4.243 4.170 -0.000 0.000 0.290 275 I C 0.508 176.519 176.117 -0.177 0.000 1.036 275 I CA -0.111 61.091 61.300 -0.164 0.000 1.336 275 I CB 0.500 38.407 38.000 -0.156 0.000 1.407 275 I HN 0.245 nan 8.210 nan 0.000 0.497 276 K N 7.666 127.943 120.400 -0.205 0.000 2.258 276 K HA 0.563 4.883 4.320 -0.000 0.000 0.284 276 K C -1.075 175.585 176.600 0.100 0.000 1.051 276 K CA -0.447 55.745 56.287 -0.157 0.000 0.923 276 K CB 0.828 33.149 32.500 -0.297 0.000 1.046 276 K HN 0.479 nan 8.250 nan 0.000 0.474 277 I N 3.758 124.342 120.570 0.023 0.000 2.498 277 I HA 0.273 4.443 4.170 -0.000 0.000 0.290 277 I C -0.842 175.177 176.117 -0.164 0.000 1.032 277 I CA -0.746 60.549 61.300 -0.010 0.000 1.073 277 I CB 1.958 39.952 38.000 -0.011 0.000 1.251 277 I HN 0.545 nan 8.210 nan 0.000 0.426 278 C N 3.869 122.922 119.300 -0.412 0.000 2.379 278 C HA 0.439 4.899 4.460 -0.000 0.000 0.323 278 C C -0.507 174.312 174.990 -0.283 0.000 1.262 278 C CA -0.801 57.943 59.018 -0.456 0.000 1.581 278 C CB 0.934 28.146 27.740 -0.879 0.000 2.221 278 C HN 0.747 nan 8.230 nan 0.000 0.497 279 D N 2.424 122.796 120.400 -0.048 0.000 2.308 279 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 279 D C -0.184 176.208 176.300 0.154 0.000 1.127 279 D CA -0.086 53.964 54.000 0.083 0.000 0.876 279 D CB 0.804 41.697 40.800 0.155 0.000 1.176 279 D HN 0.401 nan 8.370 nan 0.000 0.446 280 E N 1.488 121.774 120.200 0.143 0.000 2.360 280 E HA 0.230 4.580 4.350 -0.000 0.000 0.269 280 E C -0.212 176.512 176.600 0.207 0.000 1.022 280 E CA 0.041 56.530 56.400 0.148 0.000 0.887 280 E CB 0.732 30.506 29.700 0.125 0.000 0.990 280 E HN 0.727 nan 8.360 nan 0.000 0.426 281 H N -0.788 118.412 119.070 0.216 0.000 2.950 281 H HA 0.314 4.870 4.556 -0.000 0.000 0.307 281 H C -2.683 172.784 175.328 0.230 0.000 1.403 281 H CA -1.550 54.571 56.048 0.122 0.000 1.145 281 H CB 0.677 30.418 29.762 -0.034 0.000 1.844 281 H HN 0.062 nan 8.280 nan 0.000 0.515 282 P HA 0.168 nan 4.420 nan 0.000 0.242 282 P C 0.195 177.572 177.300 0.127 0.000 1.197 282 P CA 1.643 64.839 63.100 0.159 0.000 0.765 282 P CB 0.062 31.758 31.700 -0.007 0.000 0.936 283 G N -1.336 107.446 108.800 -0.029 0.000 2.612 283 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 283 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 283 G C -1.610 172.799 174.900 -0.818 0.000 1.274 283 G CA -1.071 43.503 45.100 -0.876 0.000 0.849 283 G HN -0.023 nan 8.290 nan 0.000 0.595 284 Y N 0.582 120.357 120.300 -0.874 0.000 2.352 284 Y HA 0.664 5.214 4.550 -0.000 0.000 0.339 284 Y C 1.299 176.794 175.900 -0.675 0.000 0.992 284 Y CA 0.119 57.677 58.100 -0.904 0.000 1.100 284 Y CB 2.274 39.715 38.460 -1.699 0.000 1.192 284 Y HN 0.910 nan 8.280 nan 0.000 0.458 285 T N -0.769 113.669 114.554 -0.193 0.000 2.897 285 T HA 0.559 4.908 4.350 -0.000 0.000 0.278 285 T C -0.468 174.428 174.700 0.326 0.000 0.981 285 T CA -0.657 61.499 62.100 0.093 0.000 0.973 285 T CB 1.877 70.796 68.868 0.086 0.000 1.092 285 T HN 0.582 nan 8.240 nan 0.000 0.543 289 Q N 2.247 122.005 119.800 -0.071 0.000 2.296 289 Q HA 0.600 4.940 4.340 -0.000 0.000 0.257 289 Q C -0.092 175.886 176.000 -0.037 0.000 0.942 289 Q CA -0.097 55.670 55.803 -0.061 0.000 0.939 289 Q CB 1.334 30.031 28.738 -0.069 0.000 1.198 289 Q HN 0.854 nan 8.270 nan 0.000 0.429 290 S N 2.152 117.834 115.700 -0.031 0.000 2.645 290 S HA 0.311 4.781 4.470 -0.000 0.000 0.266 290 S C 0.923 175.513 174.600 -0.017 0.000 1.258 290 S CA -0.130 58.058 58.200 -0.020 0.000 0.990 290 S CB 1.333 64.524 63.200 -0.016 0.000 0.967 290 S HN 0.836 nan 8.310 nan 0.000 0.556 291 A N 0.640 123.453 122.820 -0.012 0.000 2.019 291 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 291 A C 1.665 179.246 177.584 -0.006 0.000 1.164 291 A CA 1.801 53.832 52.037 -0.009 0.000 0.644 291 A CB -0.768 18.228 19.000 -0.007 0.000 0.805 291 A HN 0.839 nan 8.150 nan 0.000 0.449 292 D N -1.467 118.930 120.400 -0.005 0.000 2.123 292 D HA 0.025 4.665 4.640 -0.000 0.000 0.196 292 D C 1.567 177.865 176.300 -0.002 0.000 0.992 292 D CA 2.524 56.524 54.000 -0.001 0.000 0.833 292 D CB -0.145 40.655 40.800 0.001 0.000 0.954 292 D HN 0.625 nan 8.370 nan 0.000 0.455 293 G N -1.499 107.296 108.800 -0.008 0.000 2.213 293 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.226 293 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.226 293 G C 0.679 175.570 174.900 -0.014 0.000 0.992 293 G CA 0.638 45.732 45.100 -0.011 0.000 0.632 293 G HN 0.558 nan 8.290 nan 0.000 0.511 298 I N 6.436 127.023 120.570 0.028 0.000 2.355 298 I HA 0.445 4.615 4.170 -0.000 0.000 0.288 298 I C -2.124 173.841 176.117 -0.253 0.000 0.999 298 I CA -2.348 58.904 61.300 -0.080 0.000 1.163 298 I CB 1.070 39.062 38.000 -0.012 0.000 1.316 298 I HN 0.400 nan 8.210 nan 0.000 0.454 299 P HA 0.423 nan 4.420 nan 0.000 0.274 299 P C -1.028 175.889 177.300 -0.639 0.000 1.237 299 P CA 0.014 62.214 63.100 -1.500 0.000 0.793 299 P CB 0.777 31.581 31.700 -1.492 0.000 0.977 300 F N -2.690 116.886 119.950 -0.624 0.000 2.654 300 F HA 0.536 5.062 4.527 -0.000 0.000 0.308 300 F C -0.608 175.182 175.800 -0.017 0.000 1.108 300 F CA -1.521 56.353 58.000 -0.209 0.000 0.957 300 F CB 1.260 40.177 39.000 -0.139 0.000 1.309 300 F HN 0.229 nan 8.300 nan 0.000 0.446 301 E N 2.249 122.542 120.200 0.155 0.000 2.289 301 E HA 0.380 4.730 4.350 -0.000 0.000 0.278 301 E C -1.328 175.360 176.600 0.147 0.000 1.032 301 E CA -0.501 55.971 56.400 0.120 0.000 0.854 301 E CB 1.111 30.898 29.700 0.145 0.000 1.046 301 E HN 0.697 nan 8.360 nan 0.000 0.409 302 K N 2.413 122.839 120.400 0.044 0.000 2.588 302 K HA 0.210 4.530 4.320 -0.000 0.000 0.250 302 K C -1.285 175.292 176.600 -0.038 0.000 0.972 302 K CA -0.411 55.852 56.287 -0.041 0.000 0.821 302 K CB 1.532 33.916 32.500 -0.194 0.000 1.249 302 K HN 0.362 nan 8.250 nan 0.000 0.442 303 T N 4.167 118.719 114.554 -0.004 0.000 3.341 303 T HA 0.243 4.593 4.350 -0.000 0.000 0.234 303 T C -0.565 174.087 174.700 -0.080 0.000 0.890 303 T CA -0.361 61.723 62.100 -0.026 0.000 0.952 303 T CB -0.160 68.815 68.868 0.178 0.000 1.146 303 T HN 0.362 nan 8.240 nan 0.000 0.591 304 Q N 1.060 120.832 119.800 -0.046 0.000 2.648 304 Q HA 0.601 4.941 4.340 -0.000 0.000 0.300 304 Q C -0.778 175.383 176.000 0.268 0.000 0.954 304 Q CA -0.852 55.004 55.803 0.089 0.000 0.757 304 Q CB 2.483 31.321 28.738 0.166 0.000 1.482 304 Q HN 0.523 nan 8.270 nan 0.000 0.437 305 I N -2.806 117.948 120.570 0.307 0.000 2.892 305 I HA 0.690 4.860 4.170 -0.000 0.000 0.306 305 I C -2.669 173.406 176.117 -0.069 0.000 1.078 305 I CA -2.811 58.600 61.300 0.185 0.000 1.032 305 I CB 2.396 40.408 38.000 0.020 0.000 1.229 305 I HN 0.170 nan 8.210 nan 0.000 0.435 306 P HA 0.082 nan 4.420 nan 0.000 0.267 306 P C 0.003 177.137 177.300 -0.277 0.000 1.200 306 P CA -0.239 62.416 63.100 -0.742 0.000 0.772 306 P CB 0.488 31.747 31.700 -0.737 0.000 0.855 307 K N 2.199 122.469 120.400 -0.217 0.000 2.152 307 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 307 K C 1.520 178.091 176.600 -0.048 0.000 1.048 307 K CA 1.760 58.004 56.287 -0.071 0.000 0.933 307 K CB -0.339 32.130 32.500 -0.052 0.000 0.721 307 K HN 0.473 nan 8.250 nan 0.000 0.447 308 E N 0.599 120.749 120.200 -0.083 0.000 2.110 308 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 308 E C 1.902 178.488 176.600 -0.024 0.000 0.988 308 E CA 1.308 57.678 56.400 -0.050 0.000 0.804 308 E CB -0.267 29.395 29.700 -0.062 0.000 0.745 308 E HN 0.321 nan 8.360 nan 0.000 0.458 309 A N 0.911 123.713 122.820 -0.029 0.000 1.902 309 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 309 A C 2.182 179.801 177.584 0.060 0.000 1.181 309 A CA 1.750 53.796 52.037 0.015 0.000 0.623 309 A CB -0.572 18.439 19.000 0.020 0.000 0.818 309 A HN 0.330 nan 8.150 nan 0.000 0.443 310 E N -0.519 119.739 120.200 0.097 0.000 2.070 310 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 310 E C 1.941 178.650 176.600 0.181 0.000 1.004 310 E CA 1.942 58.489 56.400 0.245 0.000 0.805 310 E CB -0.329 29.544 29.700 0.290 0.000 0.744 310 E HN 0.519 nan 8.360 nan 0.000 0.451 311 T N 0.607 115.214 114.554 0.088 0.000 2.699 311 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 311 T C 1.849 176.585 174.700 0.061 0.000 1.036 311 T CA 1.658 63.791 62.100 0.055 0.000 1.147 311 T CB -0.252 68.628 68.868 0.020 0.000 0.862 311 T HN 0.229 nan 8.240 nan 0.000 0.446 312 R N 0.213 120.748 120.500 0.059 0.000 2.075 312 R HA -0.011 4.329 4.340 -0.000 0.000 0.232 312 R C 2.561 178.910 176.300 0.082 0.000 1.126 312 R CA 0.915 57.053 56.100 0.063 0.000 0.963 312 R CB -0.711 29.630 30.300 0.068 0.000 0.858 312 R HN 0.241 nan 8.270 nan 0.000 0.435 313 V N 1.203 121.175 119.914 0.096 0.000 2.287 313 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 313 V C 2.295 178.461 176.094 0.120 0.000 1.053 313 V CA 1.800 64.158 62.300 0.097 0.000 1.027 313 V CB -0.460 31.405 31.823 0.070 0.000 0.646 313 V HN 0.318 nan 8.190 nan 0.000 0.447 314 R N -0.127 120.459 120.500 0.143 0.000 2.115 314 R HA -0.048 4.291 4.340 -0.000 0.000 0.230 314 R C 2.364 178.691 176.300 0.045 0.000 1.111 314 R CA 1.267 57.423 56.100 0.093 0.000 0.976 314 R CB -0.470 29.871 30.300 0.069 0.000 0.870 314 R HN 0.547 nan 8.270 nan 0.000 0.445 315 A N 1.331 124.180 122.820 0.048 0.000 1.929 315 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 315 A C 2.080 179.692 177.584 0.047 0.000 1.176 315 A CA 0.825 52.883 52.037 0.035 0.000 0.628 315 A CB -0.362 18.659 19.000 0.036 0.000 0.816 315 A HN 0.246 nan 8.150 nan 0.000 0.444 316 L N -0.111 121.160 121.223 0.080 0.000 2.012 316 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 316 L C 2.208 179.120 176.870 0.070 0.000 1.073 316 L CA 1.825 56.743 54.840 0.131 0.000 0.748 316 L CB -0.502 41.658 42.059 0.170 0.000 0.891 316 L HN 0.378 nan 8.230 nan 0.000 0.431 317 L N -0.274 120.962 121.223 0.021 0.000 2.083 317 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 317 L C 2.700 179.509 176.870 -0.102 0.000 1.083 317 L CA 1.651 56.453 54.840 -0.064 0.000 0.752 317 L CB -0.732 41.295 42.059 -0.053 0.000 0.899 317 L HN 0.394 nan 8.230 nan 0.000 0.433 318 K N 0.832 121.190 120.400 -0.070 0.000 2.074 318 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 318 K C 1.666 178.164 176.600 -0.170 0.000 1.048 318 K CA 1.827 58.059 56.287 -0.092 0.000 0.926 318 K CB -0.028 32.440 32.500 -0.054 0.000 0.713 318 K HN 0.406 nan 8.250 nan 0.000 0.444 319 E N 0.247 120.324 120.200 -0.205 0.000 2.427 319 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 319 E C 0.428 176.465 176.600 -0.938 0.000 1.028 319 E CA 0.818 56.969 56.400 -0.414 0.000 0.864 319 E CB 0.414 29.989 29.700 -0.208 0.000 0.813 319 E HN 0.498 nan 8.360 nan 0.000 0.514 323 Q N 1.447 121.227 119.800 -0.034 0.000 2.364 323 Q HA -0.019 4.321 4.340 -0.000 0.000 0.209 323 Q C 1.278 177.268 176.000 -0.017 0.000 0.977 323 Q CA 1.234 57.030 55.803 -0.011 0.000 0.885 323 Q CB -0.363 28.387 28.738 0.020 0.000 0.941 323 Q HN 0.473 nan 8.270 nan 0.000 0.464 324 L N -0.072 121.129 121.223 -0.036 0.000 2.640 324 L HA 0.323 4.663 4.340 -0.000 0.000 0.230 324 L C 2.265 179.107 176.870 -0.047 0.000 1.123 324 L CA 0.315 55.123 54.840 -0.052 0.000 0.900 324 L CB -0.191 41.813 42.059 -0.091 0.000 1.146 324 L HN 0.112 nan 8.230 nan 0.000 0.484 325 A N 0.048 122.839 122.820 -0.048 0.000 2.076 325 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 325 A C 1.535 179.092 177.584 -0.044 0.000 1.160 325 A CA 1.653 53.669 52.037 -0.036 0.000 0.653 325 A CB -0.202 18.773 19.000 -0.042 0.000 0.801 325 A HN 0.344 nan 8.150 nan 0.000 0.455 326 D N -0.933 119.431 120.400 -0.060 0.000 2.431 326 D HA 0.077 4.717 4.640 -0.000 0.000 0.213 326 D C 0.015 176.250 176.300 -0.109 0.000 1.130 326 D CA -0.110 53.839 54.000 -0.086 0.000 0.834 326 D CB 0.135 40.895 40.800 -0.066 0.000 0.985 326 D HN 0.218 nan 8.370 nan 0.000 0.504 327 R N 2.363 122.808 120.500 -0.091 0.000 2.537 327 R HA 0.198 4.538 4.340 -0.000 0.000 0.280 327 R C -2.155 174.046 176.300 -0.165 0.000 1.058 327 R CA -1.236 54.812 56.100 -0.087 0.000 1.057 327 R CB -0.168 30.108 30.300 -0.039 0.000 0.973 327 R HN 0.050 nan 8.270 nan 0.000 0.438 328 P HA 0.059 nan 4.420 nan 0.000 0.271 328 P C -0.534 176.721 177.300 -0.075 0.000 1.218 328 P CA -0.060 62.915 63.100 -0.208 0.000 0.780 328 P CB 0.331 31.974 31.700 -0.094 0.000 0.901 329 F N 0.627 120.583 119.950 0.010 0.000 2.471 329 F HA 0.086 4.613 4.527 -0.000 0.000 0.353 329 F C 1.990 177.816 175.800 0.043 0.000 1.113 329 F CA -0.379 57.636 58.000 0.026 0.000 1.262 329 F CB -0.116 38.893 39.000 0.015 0.000 1.146 329 F HN 0.324 nan 8.300 nan 0.000 0.578 330 S N 1.305 117.174 115.700 0.282 0.000 2.503 330 S HA 0.226 4.696 4.470 -0.000 0.000 0.217 330 S C -0.200 174.540 174.600 0.233 0.000 0.999 330 S CA 0.024 58.345 58.200 0.201 0.000 0.914 330 S CB -0.139 63.159 63.200 0.164 0.000 0.782 330 S HN 0.459 nan 8.310 nan 0.000 0.520 331 F N 0.602 120.554 119.950 0.003 0.000 2.665 331 F HA 0.682 5.209 4.527 -0.000 0.000 0.308 331 F C -1.598 174.120 175.800 -0.136 0.000 1.112 331 F CA -0.805 57.102 58.000 -0.154 0.000 0.972 331 F CB 1.168 39.888 39.000 -0.467 0.000 1.295 331 F HN 0.157 nan 8.300 nan 0.000 0.440 332 A N 4.872 127.103 122.820 -0.982 0.000 2.547 332 A HA 0.905 5.225 4.320 -0.000 0.000 0.297 332 A C -1.520 175.542 177.584 -0.871 0.000 1.056 332 A CA -0.642 50.954 52.037 -0.736 0.000 0.688 332 A CB 2.015 20.847 19.000 -0.280 0.000 1.282 332 A HN 1.131 nan 8.150 nan 0.000 0.400 333 R N 1.155 121.327 120.500 -0.547 0.000 2.692 333 R HA 0.742 5.082 4.340 -0.000 0.000 0.269 333 R C -1.028 175.215 176.300 -0.094 0.000 1.030 333 R CA -0.784 55.139 56.100 -0.295 0.000 0.882 333 R CB 0.883 31.019 30.300 -0.274 0.000 1.250 333 R HN 1.140 nan 8.270 nan 0.000 0.465 334 I N -0.765 119.785 120.570 -0.034 0.000 2.612 334 I HA 0.637 4.807 4.170 -0.000 0.000 0.295 334 I C -0.521 175.585 176.117 -0.018 0.000 1.011 334 I CA -0.811 60.466 61.300 -0.039 0.000 1.326 334 I CB 1.661 39.584 38.000 -0.128 0.000 1.427 334 I HN 0.679 nan 8.210 nan 0.000 0.537 335 C N 5.902 125.180 119.300 -0.036 0.000 2.516 335 C HA 0.634 5.094 4.460 -0.000 0.000 0.338 335 C C -1.302 173.748 174.990 0.100 0.000 1.132 335 C CA -0.402 58.677 59.018 0.102 0.000 1.310 335 C CB 0.232 28.062 27.740 0.150 0.000 1.898 335 C HN 0.906 nan 8.230 nan 0.000 0.452 336 W N 4.378 125.757 121.300 0.132 0.000 2.551 336 W HA 0.740 5.400 4.660 0.000 0.000 0.330 336 W C 0.462 177.087 176.519 0.177 0.000 1.063 336 W CA -0.209 57.224 57.345 0.148 0.000 1.222 336 W CB 1.601 31.089 29.460 0.047 0.000 1.349 336 W HN 0.932 nan 8.180 nan 0.000 0.536 337 C N 1.426 121.032 119.300 0.509 0.000 3.312 337 C HA 0.950 5.410 4.460 -0.000 0.000 0.368 337 C C -0.980 174.208 174.990 0.330 0.000 2.465 337 C CA -0.467 58.754 59.018 0.337 0.000 1.359 337 C CB 0.921 28.819 27.740 0.263 0.000 2.896 337 C HN 0.762 nan 8.230 nan 0.000 0.470 338 A N 1.928 124.873 122.820 0.207 0.000 2.437 338 A HA 0.634 4.954 4.320 -0.000 0.000 0.293 338 A C -1.858 175.817 177.584 0.151 0.000 1.038 338 A CA -0.255 51.888 52.037 0.177 0.000 0.708 338 A CB 0.899 19.941 19.000 0.069 0.000 1.251 338 A HN 0.772 nan 8.150 nan 0.000 0.409 339 D N 2.540 123.056 120.400 0.192 0.000 2.198 339 D HA 0.482 5.122 4.640 -0.000 0.000 0.245 339 D C 0.770 177.132 176.300 0.103 0.000 1.079 339 D CA 0.344 54.440 54.000 0.159 0.000 0.854 339 D CB 1.853 42.768 40.800 0.191 0.000 1.148 339 D HN 0.677 nan 8.370 nan 0.000 0.456 340 T N -1.740 112.855 114.554 0.069 0.000 2.816 340 T HA 0.396 4.746 4.350 -0.000 0.000 0.282 340 T C 1.379 176.068 174.700 -0.019 0.000 0.993 340 T CA -0.608 61.504 62.100 0.019 0.000 0.994 340 T CB 1.227 70.111 68.868 0.025 0.000 1.025 340 T HN 0.263 nan 8.240 nan 0.000 0.529 341 A N 1.386 124.161 122.820 -0.075 0.000 2.125 341 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 341 A C 1.738 179.275 177.584 -0.080 0.000 1.156 341 A CA 1.427 53.397 52.037 -0.112 0.000 0.671 341 A CB -0.858 18.046 19.000 -0.160 0.000 0.794 341 A HN 0.945 nan 8.150 nan 0.000 0.459 342 N N -2.736 115.928 118.700 -0.060 0.000 2.194 342 N HA 0.085 4.825 4.740 -0.000 0.000 0.231 342 N C 0.273 175.755 175.510 -0.047 0.000 1.247 342 N CA 0.050 53.066 53.050 -0.055 0.000 0.884 342 N CB -0.135 38.313 38.487 -0.065 0.000 1.146 342 N HN 0.368 nan 8.380 nan 0.000 0.516 343 R N -0.373 120.114 120.500 -0.021 0.000 3.863 343 R HA -0.135 4.205 4.340 -0.000 0.000 0.313 343 R C -0.903 175.360 176.300 -0.062 0.000 1.202 343 R CA 0.924 57.023 56.100 -0.002 0.000 0.852 343 R CB -1.373 28.927 30.300 0.001 0.000 1.292 343 R HN 0.369 nan 8.270 nan 0.000 0.519 344 E N 0.360 120.512 120.200 -0.081 0.000 2.319 344 E HA 0.203 4.553 4.350 -0.000 0.000 0.268 344 E C 0.417 177.026 176.600 0.015 0.000 1.050 344 E CA -0.377 55.920 56.400 -0.172 0.000 0.878 344 E CB 0.320 29.938 29.700 -0.136 0.000 1.066 344 E HN -0.106 nan 8.360 nan 0.000 0.406 345 F N 0.843 120.824 119.950 0.053 0.000 2.490 345 F HA 0.076 4.603 4.527 -0.000 0.000 0.336 345 F C 0.873 176.753 175.800 0.133 0.000 1.178 345 F CA -0.681 57.404 58.000 0.141 0.000 1.301 345 F CB -0.117 38.987 39.000 0.174 0.000 1.175 345 F HN 0.168 nan 8.300 nan 0.000 0.593 346 L N 4.208 125.686 121.223 0.426 0.000 2.356 346 L HA 0.533 4.872 4.340 -0.000 0.000 0.264 346 L C -1.070 176.027 176.870 0.379 0.000 1.029 346 L CA -0.070 54.971 54.840 0.335 0.000 0.897 346 L CB -0.107 42.133 42.059 0.302 0.000 1.256 346 L HN 0.433 nan 8.230 nan 0.000 0.444 347 I N 4.257 125.014 120.570 0.313 0.000 2.476 347 I HA 0.524 4.694 4.170 -0.000 0.000 0.281 347 I C -1.079 175.184 176.117 0.244 0.000 1.040 347 I CA -0.291 61.167 61.300 0.264 0.000 1.094 347 I CB 1.683 39.783 38.000 0.167 0.000 1.219 347 I HN 0.447 nan 8.210 nan 0.000 0.450 348 D N 4.230 124.779 120.400 0.249 0.000 2.742 348 D HA 0.294 4.934 4.640 -0.000 0.000 0.262 348 D C -0.911 175.470 176.300 0.135 0.000 1.240 348 D CA -0.715 53.421 54.000 0.227 0.000 0.752 348 D CB 2.087 43.067 40.800 0.300 0.000 1.290 348 D HN 0.263 nan 8.370 nan 0.000 0.420 349 R N 0.958 121.492 120.500 0.056 0.000 2.543 349 R HA 0.188 4.528 4.340 -0.000 0.000 0.277 349 R C 0.488 176.737 176.300 -0.084 0.000 1.074 349 R CA -0.500 55.575 56.100 -0.041 0.000 1.076 349 R CB 0.440 30.682 30.300 -0.097 0.000 0.993 349 R HN 0.375 nan 8.270 nan 0.000 0.459 350 H N 5.094 124.019 119.070 -0.242 0.000 2.848 350 H HA 0.014 4.569 4.556 -0.000 0.000 0.341 350 H C -1.460 173.596 175.328 -0.454 0.000 1.060 350 H CA -1.389 54.354 56.048 -0.508 0.000 1.444 350 H CB 1.357 30.849 29.762 -0.449 0.000 1.446 350 H HN 0.442 nan 8.280 nan 0.000 0.583 351 P HA -0.118 nan 4.420 nan 0.000 0.221 351 P C 1.141 178.297 177.300 -0.241 0.000 1.150 351 P CA 1.127 63.962 63.100 -0.442 0.000 0.800 351 P CB 0.438 31.859 31.700 -0.465 0.000 0.787 352 Q N -1.305 118.374 119.800 -0.201 0.000 2.462 352 Q HA 0.016 4.356 4.340 -0.000 0.000 0.224 352 Q C 0.085 176.058 176.000 -0.045 0.000 0.911 352 Q CA 0.168 55.873 55.803 -0.164 0.000 0.925 352 Q CB 0.236 28.750 28.738 -0.373 0.000 1.063 352 Q HN 0.085 nan 8.270 nan 0.000 0.572 353 Y N 1.732 122.114 120.300 0.137 0.000 2.691 353 Y HA 0.118 4.668 4.550 -0.000 0.000 0.338 353 Y C 1.093 176.988 175.900 -0.009 0.000 1.148 353 Y CA -0.511 57.556 58.100 -0.056 0.000 1.430 353 Y CB -0.366 37.905 38.460 -0.314 0.000 1.303 353 Y HN 0.300 nan 8.280 nan 0.000 0.499 354 H N 0.704 119.811 119.070 0.063 0.000 2.431 354 H HA -0.168 4.388 4.556 0.000 0.000 0.297 354 H C 0.819 176.125 175.328 -0.037 0.000 1.115 354 H CA 2.140 58.187 56.048 -0.001 0.000 1.277 354 H CB 0.412 30.173 29.762 -0.002 0.000 1.372 354 H HN 0.501 nan 8.280 nan 0.000 0.516 355 S N 0.322 116.028 115.700 0.011 0.000 2.575 355 S HA 0.105 4.575 4.470 -0.000 0.000 0.215 355 S C 0.451 174.933 174.600 -0.196 0.000 0.966 355 S CA -0.392 57.747 58.200 -0.101 0.000 0.911 355 S CB 0.291 63.483 63.200 -0.013 0.000 0.780 355 S HN 0.198 nan 8.310 nan 0.000 0.514 356 L N 2.406 123.539 121.223 -0.150 0.000 2.307 356 L HA 0.528 4.868 4.340 -0.000 0.000 0.282 356 L C -0.883 175.882 176.870 -0.176 0.000 1.051 356 L CA -0.219 54.521 54.840 -0.166 0.000 0.804 356 L CB 1.223 43.228 42.059 -0.090 0.000 1.197 356 L HN -0.112 nan 8.230 nan 0.000 0.431 357 V N 5.907 125.672 119.914 -0.250 0.000 2.487 357 V HA 0.421 4.541 4.120 -0.000 0.000 0.298 357 V C -0.427 175.696 176.094 0.048 0.000 1.028 357 V CA -0.838 61.350 62.300 -0.186 0.000 0.860 357 V CB 1.673 33.188 31.823 -0.514 0.000 0.991 357 V HN 0.473 nan 8.190 nan 0.000 0.427 358 L N 4.029 125.367 121.223 0.191 0.000 2.292 358 L HA 0.674 5.014 4.340 -0.000 0.000 0.284 358 L C 0.819 177.902 176.870 0.354 0.000 1.065 358 L CA 0.294 55.345 54.840 0.352 0.000 0.806 358 L CB 1.074 43.440 42.059 0.513 0.000 1.175 358 L HN 0.835 nan 8.230 nan 0.000 0.431 359 G N 2.622 111.657 108.800 0.392 0.000 3.712 359 G HA2 0.544 4.504 3.960 -0.000 0.000 0.327 359 G HA3 0.544 4.504 3.960 -0.000 0.000 0.327 359 G C -0.211 175.012 174.900 0.538 0.000 1.566 359 G CA -0.186 45.171 45.100 0.429 0.000 0.953 359 G HN 0.842 nan 8.290 nan 0.000 0.488 360 C N -1.434 118.158 119.300 0.488 0.000 3.213 360 C HA 0.889 5.349 4.460 -0.000 0.000 0.378 360 C C 1.351 176.427 174.990 0.143 0.000 2.095 360 C CA -0.044 59.099 59.018 0.209 0.000 1.161 360 C CB 1.237 29.068 27.740 0.152 0.000 2.466 360 C HN 2.153 nan 8.230 nan 0.000 0.426 361 G N 0.202 108.998 108.800 -0.008 0.000 2.249 361 G HA2 0.097 4.057 3.960 -0.000 0.000 0.273 361 G HA3 0.097 4.057 3.960 -0.000 0.000 0.273 361 G C 0.988 175.931 174.900 0.073 0.000 1.036 361 G CA 1.058 46.189 45.100 0.052 0.000 0.824 361 G HN 2.207 nan 8.290 nan 0.000 0.504 362 A N -0.350 122.280 122.820 -0.316 0.000 2.131 362 A HA 0.341 4.661 4.320 -0.000 0.000 0.220 362 A C 2.115 179.746 177.584 0.077 0.000 1.158 362 A CA 1.854 53.621 52.037 -0.450 0.000 0.665 362 A CB -0.322 18.023 19.000 -1.092 0.000 0.795 362 A HN 1.834 nan 8.150 nan 0.000 0.460 363 S N -2.803 112.945 115.700 0.079 0.000 3.641 363 S HA -0.114 4.356 4.470 -0.000 0.000 0.346 363 S C 1.326 175.971 174.600 0.074 0.000 1.074 363 S CA 1.091 59.370 58.200 0.132 0.000 1.026 363 S CB -2.067 61.230 63.200 0.160 0.000 0.908 363 S HN 2.414 nan 8.310 nan 0.000 0.479 364 G N 1.221 110.034 108.800 0.022 0.000 2.155 364 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.257 364 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.257 364 G C 0.273 175.137 174.900 -0.060 0.000 0.983 364 G CA 0.818 45.839 45.100 -0.133 0.000 0.676 364 G HN 1.140 nan 8.290 nan 0.000 0.528 365 R N -1.006 119.559 120.500 0.108 0.000 2.616 365 R HA 0.439 4.778 4.340 -0.000 0.000 0.427 365 R C 1.472 178.048 176.300 0.460 0.000 1.030 365 R CA 0.514 56.757 56.100 0.239 0.000 1.133 365 R CB 0.163 30.611 30.300 0.247 0.000 1.444 365 R HN 0.396 nan 8.270 nan 0.000 0.578 366 G N 0.233 109.233 108.800 0.333 0.000 2.939 366 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.210 366 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.210 366 G C 0.683 175.951 174.900 0.613 0.000 1.160 366 G CA -0.292 45.091 45.100 0.472 0.000 0.770 366 G HN 0.264 nan 8.290 nan 0.000 0.543 367 F N 2.437 122.603 119.950 0.360 0.000 2.186 367 F HA -0.005 4.522 4.527 -0.000 0.000 0.299 367 F C 2.692 178.737 175.800 0.408 0.000 1.090 367 F CA 1.684 59.891 58.000 0.345 0.000 1.307 367 F CB 0.158 39.299 39.000 0.234 0.000 1.019 367 F HN 0.222 nan 8.300 nan 0.000 0.489 368 K N -0.757 119.857 120.400 0.357 0.000 2.280 368 K HA -0.232 4.087 4.320 -0.000 0.000 0.202 368 K C 1.178 177.807 176.600 0.048 0.000 1.047 368 K CA 1.870 58.301 56.287 0.239 0.000 0.942 368 K CB -0.932 31.588 32.500 0.033 0.000 0.739 368 K HN 0.392 nan 8.250 nan 0.000 0.457 369 Y N 0.695 121.071 120.300 0.127 0.000 2.529 369 Y HA 0.056 4.606 4.550 -0.000 0.000 0.290 369 Y C 1.769 177.485 175.900 -0.308 0.000 1.177 369 Y CA -0.325 57.728 58.100 -0.077 0.000 1.305 369 Y CB -0.057 38.347 38.460 -0.094 0.000 1.047 369 Y HN 0.039 nan 8.280 nan 0.000 0.522 370 L N 2.023 123.079 121.223 -0.279 0.000 2.034 370 L HA -0.193 4.147 4.340 -0.000 0.000 0.217 370 L C -0.870 175.568 176.870 -0.721 0.000 1.077 370 L CA 2.224 56.781 54.840 -0.472 0.000 0.769 370 L CB -1.476 40.190 42.059 -0.656 0.000 0.890 370 L HN 0.028 nan 8.230 nan 0.000 0.435 371 P HA -0.053 nan 4.420 nan 0.000 0.226 371 P C 1.117 178.149 177.300 -0.447 0.000 1.153 371 P CA 1.730 63.968 63.100 -1.437 0.000 0.777 371 P CB -0.004 30.693 31.700 -1.671 0.000 0.794 372 S N -3.042 112.438 115.700 -0.366 0.000 2.691 372 S HA 0.114 4.584 4.470 -0.000 0.000 0.258 372 S C 1.528 175.897 174.600 -0.386 0.000 1.078 372 S CA -0.183 57.830 58.200 -0.312 0.000 1.000 372 S CB -1.108 61.957 63.200 -0.225 0.000 0.942 372 S HN -0.092 nan 8.310 nan 0.000 0.521 373 I N 3.891 124.238 120.570 -0.372 0.000 2.361 373 I HA 0.061 4.231 4.170 -0.000 0.000 0.251 373 I C 2.295 178.119 176.117 -0.487 0.000 1.133 373 I CA 1.308 62.283 61.300 -0.543 0.000 1.413 373 I CB -0.749 36.618 38.000 -1.054 0.000 1.073 373 I HN 0.439 nan 8.210 nan 0.000 0.424 374 G N 0.109 108.699 108.800 -0.350 0.000 2.450 374 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.220 374 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.220 374 G C 1.609 176.328 174.900 -0.301 0.000 1.130 374 G CA 0.808 45.787 45.100 -0.203 0.000 0.760 374 G HN 0.365 nan 8.290 nan 0.000 0.557 375 N N 0.033 118.370 118.700 -0.606 0.000 2.166 375 N HA -0.069 4.670 4.740 -0.000 0.000 0.186 375 N C 2.054 177.433 175.510 -0.218 0.000 1.019 375 N CA 0.822 53.614 53.050 -0.430 0.000 0.856 375 N CB -0.255 37.920 38.487 -0.519 0.000 0.993 375 N HN 0.293 nan 8.380 nan 0.000 0.426 376 L N 1.099 122.187 121.223 -0.226 0.000 2.109 376 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 376 L C 1.942 178.765 176.870 -0.078 0.000 1.086 376 L CA 1.054 55.814 54.840 -0.133 0.000 0.760 376 L CB -0.417 41.550 42.059 -0.154 0.000 0.910 376 L HN 0.073 nan 8.230 nan 0.000 0.437 377 I N -1.676 118.828 120.570 -0.111 0.000 2.226 377 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 377 I C 2.291 178.480 176.117 0.121 0.000 1.100 377 I CA 1.076 62.385 61.300 0.015 0.000 1.374 377 I CB -0.368 37.621 38.000 -0.019 0.000 1.057 377 I HN 0.048 nan 8.210 nan 0.000 0.413 378 V N 0.685 120.614 119.914 0.024 0.000 2.343 378 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 378 V C 2.073 178.211 176.094 0.073 0.000 1.051 378 V CA 1.955 64.293 62.300 0.063 0.000 1.036 378 V CB -0.686 31.129 31.823 -0.013 0.000 0.654 378 V HN 0.384 nan 8.190 nan 0.000 0.451 379 D N 0.434 120.850 120.400 0.026 0.000 2.123 379 D HA -0.049 4.591 4.640 -0.000 0.000 0.196 379 D C 1.337 177.655 176.300 0.029 0.000 0.992 379 D CA 1.286 55.300 54.000 0.022 0.000 0.833 379 D CB -0.416 40.382 40.800 -0.002 0.000 0.954 379 D HN 0.507 nan 8.370 nan 0.000 0.455 383 G N 2.344 111.131 108.800 -0.022 0.000 2.171 383 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.238 383 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.238 383 G C 0.416 175.293 174.900 -0.038 0.000 1.039 383 G CA 0.710 45.782 45.100 -0.047 0.000 0.759 383 G HN 0.124 nan 8.290 nan 0.000 0.501 384 K N -0.567 119.821 120.400 -0.019 0.000 2.373 384 K HA 0.337 4.657 4.320 -0.000 0.000 0.202 384 K C 0.852 177.446 176.600 -0.010 0.000 1.025 384 K CA -0.158 56.123 56.287 -0.010 0.000 1.115 384 K CB 1.246 33.749 32.500 0.006 0.000 0.858 384 K HN 0.278 nan 8.250 nan 0.000 0.525 385 V N 3.907 123.811 119.914 -0.016 0.000 2.508 385 V HA 0.083 4.203 4.120 -0.000 0.000 0.281 385 V C -2.109 173.994 176.094 0.015 0.000 1.041 385 V CA -1.638 60.669 62.300 0.012 0.000 1.016 385 V CB 0.180 32.035 31.823 0.053 0.000 0.984 385 V HN 0.108 nan 8.190 nan 0.000 0.478 386 P HA 0.040 nan 4.420 nan 0.000 0.265 386 P C 0.633 177.971 177.300 0.063 0.000 1.193 386 P CA -0.010 63.108 63.100 0.030 0.000 0.765 386 P CB 0.554 32.268 31.700 0.025 0.000 0.823 387 Q N 4.220 124.053 119.800 0.054 0.000 2.133 387 Q HA -0.259 4.081 4.340 -0.000 0.000 0.208 387 Q C 1.485 177.545 176.000 0.101 0.000 0.991 387 Q CA 2.068 57.925 55.803 0.091 0.000 0.867 387 Q CB -0.358 28.415 28.738 0.057 0.000 0.911 387 Q HN 0.323 nan 8.270 nan 0.000 0.417 388 K N -0.317 120.117 120.400 0.057 0.000 2.097 388 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 388 K C 2.131 178.751 176.600 0.032 0.000 1.050 388 K CA 1.426 57.734 56.287 0.035 0.000 0.938 388 K CB -0.131 32.379 32.500 0.018 0.000 0.718 388 K HN 0.348 nan 8.250 nan 0.000 0.442 389 I N -0.056 120.542 120.570 0.047 0.000 2.202 389 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 389 I C 2.498 178.654 176.117 0.065 0.000 1.091 389 I CA 1.251 62.577 61.300 0.042 0.000 1.368 389 I CB -0.411 37.616 38.000 0.045 0.000 1.058 389 I HN 0.220 nan 8.210 nan 0.000 0.410 390 H N 1.487 120.567 119.070 0.016 0.000 2.353 390 H HA -0.205 4.351 4.556 -0.000 0.000 0.298 390 H C 2.075 177.422 175.328 0.031 0.000 1.103 390 H CA 1.810 57.876 56.048 0.029 0.000 1.293 390 H CB 0.025 29.803 29.762 0.026 0.000 1.372 390 H HN 0.154 nan 8.280 nan 0.000 0.501 391 E N -0.114 120.037 120.200 -0.083 0.000 2.160 391 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 391 E C 2.276 178.797 176.600 -0.132 0.000 0.991 391 E CA 0.851 57.173 56.400 -0.130 0.000 0.810 391 E CB -0.351 29.332 29.700 -0.028 0.000 0.742 391 E HN 0.420 nan 8.360 nan 0.000 0.466 392 L N 0.716 121.883 121.223 -0.092 0.000 2.131 392 L HA 0.002 4.342 4.340 -0.000 0.000 0.206 392 L C 2.159 178.983 176.870 -0.077 0.000 1.087 392 L CA 1.083 55.873 54.840 -0.083 0.000 0.767 392 L CB -0.172 41.840 42.059 -0.077 0.000 0.917 392 L HN 0.144 nan 8.230 nan 0.000 0.441 393 I N -2.695 117.839 120.570 -0.060 0.000 3.956 393 I HA 0.136 4.306 4.170 -0.000 0.000 0.333 393 I C 0.696 176.828 176.117 0.025 0.000 1.302 393 I CA -0.474 60.840 61.300 0.025 0.000 1.122 393 I CB -0.477 37.589 38.000 0.109 0.000 1.013 393 I HN 0.072 nan 8.210 nan 0.000 0.405 394 K N 1.144 121.466 120.400 -0.129 0.000 2.230 394 K HA -0.057 4.263 4.320 -0.000 0.000 0.253 394 K C -0.166 176.488 176.600 0.090 0.000 1.008 394 K CA -0.588 55.630 56.287 -0.115 0.000 0.910 394 K CB 0.606 32.830 32.500 -0.460 0.000 0.994 394 K HN 0.304 nan 8.250 nan 0.000 0.495 395 W N 2.949 124.247 121.300 -0.003 0.000 2.385 395 W HA -0.100 4.560 4.660 0.000 0.000 0.336 395 W C -0.877 175.628 176.519 -0.023 0.000 1.351 395 W CA 0.804 58.153 57.345 0.005 0.000 1.295 395 W CB 0.021 29.448 29.460 -0.057 0.000 1.239 395 W HN 0.893 nan 8.180 nan 0.000 0.565 396 N N 7.479 125.986 118.700 -0.322 0.000 2.697 396 N HA 0.087 4.827 4.740 -0.000 0.000 0.253 396 N C -1.812 173.533 175.510 -0.275 0.000 1.604 396 N CA -1.027 51.902 53.050 -0.203 0.000 0.772 396 N CB 0.838 39.251 38.487 -0.123 0.000 1.267 396 N HN 0.062 nan 8.380 nan 0.000 0.510 397 P HA -0.099 nan 4.420 nan 0.000 0.218 397 P C 0.509 177.735 177.300 -0.124 0.000 1.149 397 P CA 1.066 64.028 63.100 -0.231 0.000 0.817 397 P CB 0.388 32.008 31.700 -0.134 0.000 0.785 398 D N -0.008 120.341 120.400 -0.086 0.000 2.133 398 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 398 D C 1.905 178.156 176.300 -0.081 0.000 0.997 398 D CA 0.912 54.874 54.000 -0.063 0.000 0.840 398 D CB -0.908 39.866 40.800 -0.042 0.000 0.947 398 D HN 0.176 nan 8.370 nan 0.000 0.452 399 I N 0.048 120.558 120.570 -0.100 0.000 2.614 399 I HA -0.157 4.013 4.170 -0.000 0.000 0.258 399 I C 1.744 177.780 176.117 -0.135 0.000 1.189 399 I CA 0.829 62.065 61.300 -0.107 0.000 1.462 399 I CB 0.163 38.102 38.000 -0.103 0.000 1.092 399 I HN -0.063 nan 8.210 nan 0.000 0.442 400 A N -0.120 122.610 122.820 -0.150 0.000 2.390 400 A HA 0.652 4.972 4.320 -0.000 0.000 0.232 400 A C 1.187 178.667 177.584 -0.174 0.000 1.233 400 A CA 0.196 52.117 52.037 -0.194 0.000 0.907 400 A CB -0.533 18.356 19.000 -0.184 0.000 0.967 400 A HN 0.263 nan 8.150 nan 0.000 0.512 401 A N 0.467 123.216 122.820 -0.118 0.000 2.498 401 A HA 0.394 4.714 4.320 -0.000 0.000 0.239 401 A C 0.611 178.133 177.584 -0.103 0.000 1.068 401 A CA 0.296 52.285 52.037 -0.081 0.000 0.766 401 A CB -0.726 18.242 19.000 -0.053 0.000 1.003 401 A HN 0.760 nan 8.150 nan 0.000 0.497 402 N N -0.551 118.105 118.700 -0.074 0.000 2.714 402 N HA -0.202 4.538 4.740 -0.000 0.000 0.252 402 N C -0.004 175.412 175.510 -0.156 0.000 1.014 402 N CA 1.013 54.019 53.050 -0.074 0.000 0.735 402 N CB -1.027 37.430 38.487 -0.050 0.000 0.924 402 N HN 0.802 nan 8.380 nan 0.000 0.540 403 R N 1.186 121.516 120.500 -0.284 0.000 2.489 403 R HA 0.093 4.433 4.340 -0.000 0.000 0.287 403 R C -0.007 175.989 176.300 -0.507 0.000 1.053 403 R CA -0.353 55.428 56.100 -0.531 0.000 1.036 403 R CB 0.413 30.095 30.300 -1.031 0.000 0.966 403 R HN 0.194 nan 8.270 nan 0.000 0.432 404 N N 4.291 122.784 118.700 -0.345 0.000 2.448 404 N HA -0.014 4.726 4.740 -0.000 0.000 0.250 404 N C -0.236 175.170 175.510 -0.173 0.000 1.136 404 N CA -0.207 52.730 53.050 -0.189 0.000 0.953 404 N CB 0.215 38.641 38.487 -0.102 0.000 1.251 404 N HN 0.600 nan 8.380 nan 0.000 0.502 405 W N 2.172 123.471 121.300 -0.001 0.000 2.595 405 W HA 0.085 4.745 4.660 -0.000 0.000 0.257 405 W C 1.499 178.013 176.519 -0.008 0.000 1.267 405 W CA -0.114 57.233 57.345 0.003 0.000 1.300 405 W CB 0.283 29.750 29.460 0.012 0.000 1.120 405 W HN 0.392 nan 8.180 nan 0.000 0.618 406 R N 0.334 120.934 120.500 0.168 0.000 2.359 406 R HA 0.010 4.350 4.340 -0.000 0.000 0.231 406 R C 0.129 176.441 176.300 0.021 0.000 0.913 406 R CA -0.143 56.004 56.100 0.078 0.000 1.075 406 R CB -0.185 30.148 30.300 0.055 0.000 1.087 406 R HN -0.116 nan 8.270 nan 0.000 0.515 407 D N 1.419 121.824 120.400 0.008 0.000 2.472 407 D HA -0.064 4.576 4.640 -0.000 0.000 0.248 407 D C 1.104 177.388 176.300 -0.027 0.000 1.174 407 D CA 0.500 54.483 54.000 -0.028 0.000 0.883 407 D CB 1.288 42.059 40.800 -0.049 0.000 1.149 407 D HN 0.187 nan 8.370 nan 0.000 0.488 408 T N 1.324 115.839 114.554 -0.066 0.000 3.085 408 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 408 T C 1.641 176.282 174.700 -0.098 0.000 1.127 408 T CA -0.160 61.882 62.100 -0.096 0.000 1.103 408 T CB -0.357 68.396 68.868 -0.191 0.000 0.921 408 T HN 0.590 nan 8.240 nan 0.000 0.510 409 L N 0.824 121.999 121.223 -0.080 0.000 3.742 409 L HA -0.216 4.124 4.340 -0.000 0.000 0.431 409 L C 1.349 178.175 176.870 -0.074 0.000 1.220 409 L CA 0.429 55.237 54.840 -0.053 0.000 0.863 409 L CB -2.264 39.796 42.059 0.003 0.000 1.751 409 L HN 0.697 nan 8.230 nan 0.000 0.922 410 G N -0.855 107.853 108.800 -0.154 0.000 2.148 410 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.254 410 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.254 410 G C 0.338 175.125 174.900 -0.189 0.000 0.981 410 G CA 0.469 45.493 45.100 -0.127 0.000 0.670 410 G HN 0.503 nan 8.290 nan 0.000 0.528 411 R N -1.046 119.254 120.500 -0.333 0.000 2.540 411 R HA 0.775 5.115 4.340 -0.000 0.000 0.287 411 R C -0.526 175.447 176.300 -0.545 0.000 0.980 411 R CA -0.456 55.515 56.100 -0.215 0.000 0.966 411 R CB 0.926 31.219 30.300 -0.012 0.000 1.106 411 R HN 0.113 nan 8.270 nan 0.000 0.480 412 F N -0.563 119.412 119.950 0.041 0.000 2.664 412 F HA 0.694 5.221 4.527 -0.000 0.000 0.329 412 F C 0.601 176.415 175.800 0.024 0.000 1.090 412 F CA -0.426 57.583 58.000 0.014 0.000 0.978 412 F CB 2.305 41.290 39.000 -0.025 0.000 1.378 412 F HN 0.707 nan 8.300 nan 0.000 0.495 413 G N 0.049 108.980 108.800 0.219 0.000 2.617 413 G HA2 0.469 4.429 3.960 -0.000 0.000 0.686 413 G HA3 0.469 4.429 3.960 -0.000 0.000 0.686 413 G C 0.025 174.984 174.900 0.098 0.000 1.214 413 G CA -0.397 44.780 45.100 0.128 0.000 0.796 413 G HN 1.842 nan 8.290 nan 0.000 0.654 414 G N 1.275 110.112 108.800 0.062 0.000 2.629 414 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.313 414 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.313 414 G C -0.045 174.851 174.900 -0.006 0.000 1.217 414 G CA 1.393 46.503 45.100 0.018 0.000 0.994 414 G HN 1.674 nan 8.290 nan 0.000 0.549 415 P HA 0.091 nan 4.420 nan 0.000 0.245 415 P C 0.457 177.736 177.300 -0.034 0.000 1.212 415 P CA 1.121 64.189 63.100 -0.053 0.000 0.774 415 P CB -0.376 31.263 31.700 -0.102 0.000 0.999 416 N N -0.293 118.399 118.700 -0.014 0.000 2.710 416 N HA -0.189 4.550 4.740 -0.000 0.000 0.249 416 N C -0.376 175.104 175.510 -0.049 0.000 1.059 416 N CA 0.710 53.754 53.050 -0.010 0.000 0.720 416 N CB -0.817 37.693 38.487 0.038 0.000 0.983 416 N HN 0.403 nan 8.380 nan 0.000 0.544 417 R N -1.096 119.360 120.500 -0.073 0.000 2.774 417 R HA 0.584 4.924 4.340 -0.000 0.000 0.272 417 R C -0.297 175.932 176.300 -0.119 0.000 1.000 417 R CA -0.972 55.078 56.100 -0.083 0.000 0.906 417 R CB 1.524 31.780 30.300 -0.073 0.000 1.227 417 R HN -0.122 nan 8.270 nan 0.000 0.468 421 F N 1.403 121.501 119.950 0.247 0.000 2.307 421 F HA -0.075 4.452 4.527 -0.000 0.000 0.301 421 F C 2.114 177.958 175.800 0.074 0.000 1.076 421 F CA 1.119 59.204 58.000 0.142 0.000 1.383 421 F CB -0.420 38.770 39.000 0.316 0.000 1.055 421 F HN 0.529 nan 8.300 nan 0.000 0.526 422 H N -0.879 118.371 119.070 0.300 0.000 2.456 422 H HA -0.108 4.448 4.556 -0.000 0.000 0.296 422 H C 1.429 176.833 175.328 0.128 0.000 1.079 422 H CA 1.537 57.696 56.048 0.184 0.000 1.322 422 H CB -0.271 29.566 29.762 0.124 0.000 1.388 422 H HN 0.118 nan 8.280 nan 0.000 0.538 423 D N -0.256 120.264 120.400 0.200 0.000 2.355 423 D HA -0.003 4.637 4.640 -0.000 0.000 0.218 423 D C -0.009 176.330 176.300 0.065 0.000 1.004 423 D CA 0.208 54.273 54.000 0.109 0.000 0.880 423 D CB 0.194 41.036 40.800 0.070 0.000 0.911 423 D HN 0.082 nan 8.370 nan 0.000 0.528 424 V N 1.453 121.408 119.914 0.067 0.000 2.455 424 V HA 0.053 4.173 4.120 -0.000 0.000 0.273 424 V C 1.325 177.413 176.094 -0.011 0.000 1.045 424 V CA 0.122 62.389 62.300 -0.054 0.000 0.976 424 V CB 1.537 33.226 31.823 -0.223 0.000 0.993 424 V HN -0.027 nan 8.190 nan 0.000 0.475 425 K N 2.995 123.369 120.400 -0.042 0.000 2.276 425 K HA 0.214 4.534 4.320 -0.000 0.000 0.198 425 K C 0.591 177.212 176.600 0.035 0.000 1.052 425 K CA 0.379 56.676 56.287 0.016 0.000 0.984 425 K CB 0.730 33.236 32.500 0.009 0.000 0.836 425 K HN 0.689 nan 8.250 nan 0.000 0.490 426 E N -0.304 119.866 120.200 -0.049 0.000 2.292 426 E HA 0.212 4.561 4.350 -0.000 0.000 0.272 426 E C -1.732 174.805 176.600 -0.105 0.000 0.881 426 E CA -0.671 55.736 56.400 0.012 0.000 0.754 426 E CB 1.218 30.922 29.700 0.007 0.000 1.201 426 E HN -0.057 nan 8.360 nan 0.000 0.425 427 W N 1.383 122.681 121.300 -0.002 0.000 2.736 427 W HA 0.327 4.987 4.660 -0.000 0.000 0.355 427 W C 0.504 177.028 176.519 0.008 0.000 1.102 427 W CA -0.445 56.897 57.345 -0.004 0.000 1.164 427 W CB 1.407 30.854 29.460 -0.021 0.000 1.422 427 W HN 0.436 nan 8.180 nan 0.000 0.572 428 T N -0.896 113.822 114.554 0.274 0.000 2.701 428 T HA 0.130 4.480 4.350 -0.000 0.000 0.303 428 T C -0.046 174.755 174.700 0.169 0.000 1.030 428 T CA -0.182 62.032 62.100 0.191 0.000 1.010 428 T CB 0.646 69.640 68.868 0.210 0.000 1.007 428 T HN 0.412 nan 8.240 nan 0.000 0.532 429 N N 0.051 118.821 118.700 0.116 0.000 2.646 429 N HA 0.275 5.015 4.740 -0.000 0.000 0.303 429 N C -1.103 174.454 175.510 0.078 0.000 1.921 429 N CA -0.424 52.677 53.050 0.084 0.000 0.872 429 N CB 0.241 38.766 38.487 0.063 0.000 1.327 429 N HN 0.528 nan 8.380 nan 0.000 0.492 430 V N 0.665 120.635 119.914 0.093 0.000 2.834 430 V HA 0.211 4.331 4.120 -0.000 0.000 0.301 430 V C 0.942 177.096 176.094 0.099 0.000 1.066 430 V CA -0.631 61.727 62.300 0.098 0.000 1.052 430 V CB 1.338 33.229 31.823 0.113 0.000 1.021 430 V HN 0.444 nan 8.190 nan 0.000 0.480 431 Q N 1.762 121.626 119.800 0.108 0.000 2.304 431 Q HA -0.041 4.299 4.340 -0.000 0.000 0.301 431 Q C -0.804 175.303 176.000 0.178 0.000 1.063 431 Q CA -0.036 55.844 55.803 0.130 0.000 0.947 431 Q CB 0.284 29.086 28.738 0.107 0.000 1.201 431 Q HN 0.706 nan 8.270 nan 0.000 0.389 432 Y N 3.926 124.275 120.300 0.081 0.000 2.411 432 Y HA 0.184 4.734 4.550 -0.000 0.000 0.333 432 Y C -0.516 175.463 175.900 0.133 0.000 1.186 432 Y CA 0.200 58.364 58.100 0.107 0.000 1.381 432 Y CB 0.632 39.133 38.460 0.067 0.000 1.273 432 Y HN 0.647 nan 8.280 nan 0.000 0.546 433 R N 4.279 124.366 120.500 -0.689 0.000 2.673 433 R HA 0.223 4.563 4.340 -0.000 0.000 0.281 433 R C -1.902 173.784 176.300 -1.024 0.000 0.991 433 R CA -0.855 54.859 56.100 -0.644 0.000 0.896 433 R CB 1.216 31.285 30.300 -0.386 0.000 1.201 433 R HN 0.753 nan 8.270 nan 0.000 0.457 434 D N 5.258 125.308 120.400 -0.584 0.000 2.411 434 D HA 0.096 4.736 4.640 -0.000 0.000 0.225 434 D C 1.210 177.418 176.300 -0.153 0.000 1.156 434 D CA -0.590 53.271 54.000 -0.232 0.000 0.874 434 D CB 0.737 41.592 40.800 0.092 0.000 1.034 434 D HN 0.625 nan 8.370 nan 0.000 0.502 435 I N 0.408 120.897 120.570 -0.135 0.000 3.564 435 I HA 0.053 4.223 4.170 -0.000 0.000 0.294 435 I C 1.032 177.128 176.117 -0.036 0.000 1.289 435 I CA -0.049 61.168 61.300 -0.138 0.000 1.325 435 I CB 0.105 38.007 38.000 -0.165 0.000 1.039 435 I HN 0.029 nan 8.210 nan 0.000 0.474 436 S N 0.853 116.571 115.700 0.030 0.000 2.603 436 S HA 0.112 4.582 4.470 -0.000 0.000 0.220 436 S C 0.274 174.901 174.600 0.045 0.000 0.967 436 S CA 0.080 58.321 58.200 0.070 0.000 0.920 436 S CB -0.298 62.997 63.200 0.158 0.000 0.773 436 S HN 0.488 nan 8.310 nan 0.000 0.529 437 K N 0.000 120.409 120.400 0.015 0.000 2.780 437 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 437 K CA 0.000 56.290 56.287 0.005 0.000 0.838 437 K CB 0.000 32.502 32.500 0.004 0.000 1.064 437 K HN 0.000 nan 8.250 nan 0.000 0.543