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 2dv6_1_F DATA FIRST_RESID 24 DATA SEQUENCE HAPVVFTLRT GIAEGRMVYI GVGGDIDHKI NPTLVVHEGE TVQVNLVNGE DATA SEQUENCE GAQHDVVVDQ YAARSAIVNG KNASSTFSFV ASKVGEFNYY CSIAGHRQAG DATA SEQUENCE MEGNIQVLPG NRAEMKSSGA DITRDPADLP GPIGPRQAKT VRIDLETVEV DATA SEQUENCE KGQLDDNTTY TYWTFNGKVP GPFLRVRVGD TVELHLKNHK DSLMVHSVDF DATA SEQUENCE HGATGPGGAA AFTQTDPGEE TVVTFKALIP GIYVYHCATP SVPTHITNGM DATA SEQUENCE YGLLLVEPEG GLPQVDREFY VMQGEIYTVK SFGTSGEQEM DYEKLINEKP DATA SEQUENCE EYFLFNGSVG SLTRSHPLYA SVGETVRIFF GVGGPNFTSS FHVIGEIFDH DATA SEQUENCE VYSLGSVVSP PLIGVQTVSV PPGGATIVDF KIDRAGRYIL VDHALSRLEH DATA SEQUENCE GLVGFLNVDG PKNDSIMHEG PA 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 24 H HA 0.000 nan 4.556 nan 0.000 0.296 24 H C 0.000 175.485 175.328 0.262 0.000 0.993 24 H CA 0.000 56.183 56.048 0.225 0.000 1.023 24 H CB 0.000 29.903 29.762 0.235 0.000 1.292 25 A N 1.786 124.902 122.820 0.493 0.000 2.386 25 A HA 0.489 4.808 4.320 -0.001 0.000 0.248 25 A C -2.094 175.569 177.584 0.132 0.000 1.082 25 A CA -0.926 51.261 52.037 0.250 0.000 0.789 25 A CB -0.852 18.204 19.000 0.093 0.000 1.025 25 A HN 0.515 nan 8.150 nan 0.000 0.490 26 P HA 0.175 nan 4.420 nan 0.000 0.266 26 P C -0.155 177.088 177.300 -0.095 0.000 1.193 26 P CA 0.078 63.137 63.100 -0.069 0.000 0.770 26 P CB 0.212 31.840 31.700 -0.120 0.000 0.836 27 V N 1.355 121.178 119.914 -0.152 0.000 2.461 27 V HA 0.415 4.535 4.120 -0.001 0.000 0.275 27 V C -0.235 175.583 176.094 -0.460 0.000 1.047 27 V CA -0.508 61.627 62.300 -0.275 0.000 0.955 27 V CB 1.193 32.890 31.823 -0.210 0.000 0.988 27 V HN 0.209 nan 8.190 nan 0.000 0.471 28 V N 6.154 125.730 119.914 -0.563 0.000 2.448 28 V HA 0.589 4.709 4.120 -0.001 0.000 0.295 28 V C -0.527 175.163 176.094 -0.674 0.000 1.025 28 V CA -0.240 61.778 62.300 -0.471 0.000 0.859 28 V CB 1.297 32.967 31.823 -0.256 0.000 0.988 28 V HN 0.821 nan 8.190 nan 0.000 0.431 29 F N 1.492 121.337 119.950 -0.176 0.000 2.507 29 F HA 0.593 5.120 4.527 -0.001 0.000 0.325 29 F C 0.566 176.267 175.800 -0.166 0.000 1.116 29 F CA -0.559 57.343 58.000 -0.164 0.000 0.930 29 F CB 2.238 41.120 39.000 -0.198 0.000 1.146 29 F HN 0.309 nan 8.300 nan 0.000 0.447 30 T N 4.896 119.476 114.554 0.045 0.000 2.771 30 T HA 0.633 4.982 4.350 -0.001 0.000 0.281 30 T C -0.481 174.222 174.700 0.004 0.000 0.982 30 T CA -0.523 61.576 62.100 -0.002 0.000 0.978 30 T CB 0.655 69.508 68.868 -0.025 0.000 0.930 30 T HN 0.326 nan 8.240 nan 0.000 0.447 31 L N 4.409 125.630 121.223 -0.004 0.000 2.341 31 L HA 0.641 4.981 4.340 -0.001 0.000 0.278 31 L C 0.385 177.300 176.870 0.074 0.000 1.005 31 L CA -1.087 53.769 54.840 0.026 0.000 0.818 31 L CB 1.681 43.719 42.059 -0.034 0.000 1.259 31 L HN 0.581 nan 8.230 nan 0.000 0.418 32 R N 0.549 121.094 120.500 0.075 0.000 2.732 32 R HA 0.744 5.084 4.340 -0.001 0.000 0.278 32 R C -0.517 175.817 176.300 0.057 0.000 0.976 32 R CA -0.638 55.498 56.100 0.060 0.000 0.963 32 R CB 1.623 31.935 30.300 0.020 0.000 1.150 32 R HN 0.577 nan 8.270 nan 0.000 0.478 33 T N -1.302 113.238 114.554 -0.024 0.000 2.934 33 T HA 0.806 5.155 4.350 -0.001 0.000 0.283 33 T C 0.397 175.034 174.700 -0.105 0.000 1.005 33 T CA -0.138 61.854 62.100 -0.179 0.000 1.041 33 T CB 1.725 70.271 68.868 -0.536 0.000 1.042 33 T HN 0.917 nan 8.240 nan 0.000 0.505 34 G N 0.360 109.086 108.800 -0.122 0.000 2.340 34 G HA2 0.475 4.434 3.960 -0.001 0.000 0.299 34 G HA3 0.475 4.434 3.960 -0.001 0.000 0.299 34 G C -2.004 172.863 174.900 -0.055 0.000 1.291 34 G CA -1.024 44.045 45.100 -0.052 0.000 0.841 34 G HN 0.807 nan 8.290 nan 0.000 0.500 35 I N 1.366 121.922 120.570 -0.023 0.000 2.339 35 I HA 0.710 4.880 4.170 -0.001 0.000 0.290 35 I C 0.432 176.546 176.117 -0.004 0.000 0.994 35 I CA -0.088 61.200 61.300 -0.021 0.000 1.191 35 I CB 1.582 39.573 38.000 -0.015 0.000 1.343 35 I HN 0.932 nan 8.210 nan 0.000 0.458 36 A N 4.239 127.057 122.820 -0.003 0.000 2.574 36 A HA 0.625 4.944 4.320 -0.001 0.000 0.297 36 A C -0.080 177.511 177.584 0.012 0.000 1.062 36 A CA -0.539 51.506 52.037 0.014 0.000 0.686 36 A CB 0.930 19.947 19.000 0.029 0.000 1.285 36 A HN 0.772 nan 8.150 nan 0.000 0.403 37 E N 0.502 120.712 120.200 0.016 0.000 2.494 37 E HA -0.286 4.064 4.350 -0.001 0.000 0.249 37 E C 0.997 177.600 176.600 0.005 0.000 1.184 37 E CA 1.323 57.730 56.400 0.013 0.000 0.727 37 E CB -1.835 27.876 29.700 0.018 0.000 1.281 37 E HN 2.465 nan 8.360 nan 0.000 0.405 38 G N -0.288 108.513 108.800 0.001 0.000 2.141 38 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.242 38 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.242 38 G C 0.198 175.092 174.900 -0.010 0.000 0.982 38 G CA 0.585 45.683 45.100 -0.003 0.000 0.662 38 G HN 0.327 nan 8.290 nan 0.000 0.527 39 R N -1.246 119.245 120.500 -0.015 0.000 2.799 39 R HA 0.686 5.026 4.340 -0.001 0.000 0.270 39 R C -0.237 176.036 176.300 -0.045 0.000 1.010 39 R CA -0.971 55.112 56.100 -0.027 0.000 0.916 39 R CB 1.114 31.401 30.300 -0.021 0.000 1.228 39 R HN 0.169 nan 8.270 nan 0.000 0.469 40 M N 3.207 122.764 119.600 -0.071 0.000 2.105 40 M HA 0.335 4.815 4.480 -0.001 0.000 0.350 40 M C -0.945 175.272 176.300 -0.138 0.000 1.308 40 M CA -0.343 54.889 55.300 -0.113 0.000 1.108 40 M CB 0.563 33.067 32.600 -0.159 0.000 1.622 40 M HN 0.527 nan 8.290 nan 0.000 0.468 41 V N 2.502 122.319 119.914 -0.161 0.000 3.165 41 V HA 0.599 4.719 4.120 -0.001 0.000 0.309 41 V C -1.540 174.410 176.094 -0.241 0.000 1.267 41 V CA -1.057 61.154 62.300 -0.149 0.000 1.067 41 V CB 1.639 33.449 31.823 -0.021 0.000 1.082 41 V HN 0.740 nan 8.190 nan 0.000 0.451 42 Y N 0.448 120.767 120.300 0.031 0.000 2.335 42 Y HA 0.795 5.344 4.550 -0.001 0.000 0.323 42 Y C 0.218 176.143 175.900 0.041 0.000 1.224 42 Y CA -0.573 57.555 58.100 0.046 0.000 1.241 42 Y CB 1.582 40.141 38.460 0.165 0.000 1.235 42 Y HN 0.487 nan 8.280 nan 0.000 0.492 43 I N 1.722 122.403 120.570 0.185 0.000 2.478 43 I HA 0.382 4.552 4.170 -0.001 0.000 0.287 43 I C 0.348 176.498 176.117 0.055 0.000 1.042 43 I CA -0.859 60.498 61.300 0.096 0.000 1.067 43 I CB 1.847 39.871 38.000 0.040 0.000 1.233 43 I HN 0.753 nan 8.210 nan 0.000 0.431 44 G N 4.933 113.758 108.800 0.041 0.000 2.491 44 G HA2 0.446 4.406 3.960 -0.001 0.000 0.242 44 G HA3 0.446 4.406 3.960 -0.001 0.000 0.242 44 G C -0.508 174.353 174.900 -0.066 0.000 1.266 44 G CA -0.111 44.996 45.100 0.012 0.000 0.844 44 G HN 0.370 nan 8.290 nan 0.000 0.571 45 V N 2.186 122.070 119.914 -0.050 0.000 2.443 45 V HA 0.782 4.901 4.120 -0.001 0.000 0.293 45 V C 0.805 176.867 176.094 -0.054 0.000 1.021 45 V CA 0.533 62.776 62.300 -0.095 0.000 0.848 45 V CB 0.409 32.188 31.823 -0.074 0.000 0.998 45 V HN 1.848 nan 8.190 nan 0.000 0.424 46 G N 3.700 112.467 108.800 -0.055 0.000 2.725 46 G HA2 0.367 4.327 3.960 -0.001 0.000 0.220 46 G HA3 0.367 4.327 3.960 -0.001 0.000 0.220 46 G C 0.571 175.454 174.900 -0.028 0.000 1.357 46 G CA -0.237 44.836 45.100 -0.045 0.000 0.866 46 G HN 2.280 nan 8.290 nan 0.000 0.548 47 G N -0.392 108.370 108.800 -0.064 0.000 2.581 47 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.291 47 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.291 47 G C 0.876 175.780 174.900 0.007 0.000 1.277 47 G CA 1.384 46.453 45.100 -0.052 0.000 0.959 47 G HN 2.377 nan 8.290 nan 0.000 0.554 48 D N 0.292 120.720 120.400 0.047 0.000 2.378 48 D HA 0.015 4.655 4.640 -0.001 0.000 0.227 48 D C 1.983 178.336 176.300 0.089 0.000 1.012 48 D CA 1.409 55.453 54.000 0.074 0.000 0.905 48 D CB -0.320 40.542 40.800 0.104 0.000 0.895 48 D HN 1.031 nan 8.370 nan 0.000 0.532 49 I N -3.408 117.218 120.570 0.094 0.000 4.050 49 I HA 0.280 4.449 4.170 -0.001 0.000 0.327 49 I C -0.175 175.978 176.117 0.060 0.000 1.473 49 I CA -0.692 60.660 61.300 0.088 0.000 1.124 49 I CB 0.155 38.222 38.000 0.111 0.000 1.129 49 I HN -0.375 nan 8.210 nan 0.000 0.428 50 D N 2.407 122.839 120.400 0.053 0.000 2.472 50 D HA -0.066 4.574 4.640 -0.001 0.000 0.248 50 D C 0.995 177.358 176.300 0.104 0.000 1.174 50 D CA 1.192 55.212 54.000 0.034 0.000 0.883 50 D CB 0.084 40.937 40.800 0.089 0.000 1.149 50 D HN 0.364 nan 8.370 nan 0.000 0.488 51 H N 0.791 119.885 119.070 0.041 0.000 3.395 51 H HA -0.195 4.361 4.556 -0.001 0.000 0.222 51 H C -0.192 175.163 175.328 0.045 0.000 1.099 51 H CA 1.058 57.130 56.048 0.040 0.000 1.182 51 H CB -1.016 28.764 29.762 0.031 0.000 1.188 51 H HN 0.508 nan 8.280 nan 0.000 0.317 52 K N 0.945 121.410 120.400 0.107 0.000 2.249 52 K HA 0.310 4.630 4.320 -0.001 0.000 0.280 52 K C 0.459 177.113 176.600 0.091 0.000 1.033 52 K CA -0.659 55.685 56.287 0.094 0.000 0.946 52 K CB 1.171 33.720 32.500 0.082 0.000 1.005 52 K HN -0.088 nan 8.250 nan 0.000 0.469 53 I N 2.768 123.391 120.570 0.088 0.000 2.496 53 I HA -0.061 4.108 4.170 -0.001 0.000 0.285 53 I C 0.291 176.475 176.117 0.112 0.000 1.080 53 I CA 0.196 61.553 61.300 0.093 0.000 1.404 53 I CB -0.073 37.968 38.000 0.068 0.000 1.403 53 I HN 0.650 nan 8.210 nan 0.000 0.539 54 N N 4.592 123.395 118.700 0.173 0.000 2.689 54 N HA -0.161 4.579 4.740 -0.001 0.000 0.263 54 N C -2.393 173.223 175.510 0.177 0.000 0.987 54 N CA -0.275 52.905 53.050 0.216 0.000 0.782 54 N CB -1.066 37.490 38.487 0.115 0.000 0.903 54 N HN 0.448 nan 8.380 nan 0.000 0.547 55 P HA 0.038 nan 4.420 nan 0.000 0.272 55 P C -0.123 177.252 177.300 0.125 0.000 1.223 55 P CA 0.121 63.291 63.100 0.117 0.000 0.784 55 P CB 0.702 32.447 31.700 0.076 0.000 0.923 56 T N 2.625 117.214 114.554 0.059 0.000 2.832 56 T HA 0.325 4.675 4.350 -0.001 0.000 0.296 56 T C 0.272 174.928 174.700 -0.074 0.000 0.968 56 T CA -0.241 61.881 62.100 0.035 0.000 1.107 56 T CB -0.061 68.820 68.868 0.022 0.000 0.916 56 T HN 0.183 nan 8.240 nan 0.000 0.517 57 L N 4.071 125.184 121.223 -0.183 0.000 2.264 57 L HA 0.517 4.857 4.340 -0.001 0.000 0.287 57 L C 0.224 176.931 176.870 -0.271 0.000 1.039 57 L CA -1.004 53.478 54.840 -0.596 0.000 0.829 57 L CB 0.966 42.369 42.059 -1.093 0.000 1.211 57 L HN 0.385 nan 8.230 nan 0.000 0.427 58 V N 5.166 125.036 119.914 -0.073 0.000 2.407 58 V HA 0.682 4.801 4.120 -0.001 0.000 0.278 58 V C -0.419 175.760 176.094 0.141 0.000 1.037 58 V CA -0.081 62.240 62.300 0.034 0.000 0.900 58 V CB 1.834 33.668 31.823 0.018 0.000 0.983 58 V HN 0.487 nan 8.190 nan 0.000 0.459 59 V N 6.194 126.132 119.914 0.040 0.000 3.078 59 V HA 0.626 4.746 4.120 -0.001 0.000 0.311 59 V C -0.766 175.262 176.094 -0.110 0.000 1.138 59 V CA -0.704 61.645 62.300 0.082 0.000 1.007 59 V CB 2.570 34.455 31.823 0.103 0.000 1.045 59 V HN 1.010 nan 8.190 nan 0.000 0.432 60 H N 1.386 120.501 119.070 0.076 0.000 2.573 60 H HA 0.363 4.918 4.556 -0.001 0.000 0.351 60 H C -0.325 175.029 175.328 0.043 0.000 1.163 60 H CA -0.561 55.526 56.048 0.063 0.000 1.205 60 H CB 1.955 31.748 29.762 0.053 0.000 1.605 60 H HN 0.714 nan 8.280 nan 0.000 0.525 61 E N 0.541 120.839 120.200 0.163 0.000 2.529 61 E HA 0.018 4.368 4.350 -0.001 0.000 0.259 61 E C 0.705 177.348 176.600 0.072 0.000 0.966 61 E CA 1.049 57.522 56.400 0.120 0.000 0.937 61 E CB 0.175 29.948 29.700 0.120 0.000 0.923 61 E HN 0.954 nan 8.360 nan 0.000 0.468 62 G N 3.723 112.552 108.800 0.048 0.000 2.253 62 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.251 62 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.251 62 G C 0.071 174.936 174.900 -0.058 0.000 0.998 62 G CA 0.323 45.421 45.100 -0.002 0.000 0.621 62 G HN 0.622 nan 8.290 nan 0.000 0.524 63 E N 1.245 121.404 120.200 -0.069 0.000 2.398 63 E HA 0.403 4.752 4.350 -0.001 0.000 0.263 63 E C 0.067 176.561 176.600 -0.177 0.000 1.046 63 E CA 0.390 56.711 56.400 -0.131 0.000 0.908 63 E CB 0.464 30.111 29.700 -0.087 0.000 0.963 63 E HN 0.174 nan 8.360 nan 0.000 0.431 64 T N 2.166 116.607 114.554 -0.189 0.000 2.794 64 T HA 0.235 4.584 4.350 -0.001 0.000 0.296 64 T C -0.282 174.218 174.700 -0.333 0.000 0.949 64 T CA -0.532 61.419 62.100 -0.249 0.000 1.101 64 T CB 0.570 69.337 68.868 -0.169 0.000 0.905 64 T HN 0.086 nan 8.240 nan 0.000 0.516 65 V N 4.430 123.995 119.914 -0.581 0.000 2.417 65 V HA 0.425 4.544 4.120 -0.001 0.000 0.291 65 V C 0.053 175.813 176.094 -0.557 0.000 1.024 65 V CA -0.821 61.122 62.300 -0.596 0.000 0.861 65 V CB 1.597 32.842 31.823 -0.964 0.000 0.985 65 V HN 0.808 nan 8.190 nan 0.000 0.436 66 Q N 3.327 122.907 119.800 -0.368 0.000 2.316 66 Q HA 0.692 5.032 4.340 -0.001 0.000 0.264 66 Q C -1.717 174.083 176.000 -0.334 0.000 0.987 66 Q CA -0.489 55.097 55.803 -0.362 0.000 0.852 66 Q CB 2.174 30.756 28.738 -0.260 0.000 1.287 66 Q HN 0.602 nan 8.270 nan 0.000 0.448 67 V N 4.322 123.911 119.914 -0.541 0.000 2.448 67 V HA 0.393 4.513 4.120 -0.001 0.000 0.295 67 V C -0.722 175.211 176.094 -0.267 0.000 1.025 67 V CA -1.014 61.027 62.300 -0.432 0.000 0.859 67 V CB 1.752 33.194 31.823 -0.635 0.000 0.988 67 V HN 0.755 nan 8.190 nan 0.000 0.431 68 N N 5.033 123.665 118.700 -0.113 0.000 2.444 68 N HA 0.417 5.156 4.740 -0.001 0.000 0.262 68 N C -0.948 174.575 175.510 0.021 0.000 0.974 68 N CA -0.322 52.708 53.050 -0.032 0.000 0.933 68 N CB 2.411 40.870 38.487 -0.046 0.000 1.137 68 N HN 0.567 nan 8.380 nan 0.000 0.498 69 L N 2.931 124.206 121.223 0.087 0.000 2.272 69 L HA 0.486 4.826 4.340 -0.001 0.000 0.289 69 L C -1.046 175.883 176.870 0.099 0.000 1.032 69 L CA -0.688 54.222 54.840 0.117 0.000 0.810 69 L CB 1.132 43.301 42.059 0.184 0.000 1.205 69 L HN 0.117 nan 8.230 nan 0.000 0.422 70 V N 4.599 124.565 119.914 0.087 0.000 2.487 70 V HA 0.291 4.410 4.120 -0.001 0.000 0.298 70 V C 0.179 176.321 176.094 0.079 0.000 1.028 70 V CA -0.963 61.380 62.300 0.071 0.000 0.860 70 V CB 1.697 33.546 31.823 0.044 0.000 0.991 70 V HN 0.698 nan 8.190 nan 0.000 0.427 71 N N 3.271 122.028 118.700 0.095 0.000 2.431 71 N HA 0.133 4.873 4.740 -0.001 0.000 0.265 71 N C 1.012 176.571 175.510 0.082 0.000 1.184 71 N CA 0.842 53.964 53.050 0.121 0.000 0.943 71 N CB 1.955 40.535 38.487 0.155 0.000 1.080 71 N HN 0.838 nan 8.380 nan 0.000 0.477 72 G N 2.884 111.720 108.800 0.059 0.000 2.437 72 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.212 72 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.212 72 G C 0.899 175.832 174.900 0.055 0.000 1.174 72 G CA 0.274 45.400 45.100 0.043 0.000 0.811 72 G HN 0.676 nan 8.290 nan 0.000 0.537 73 E N -0.125 120.121 120.200 0.077 0.000 2.562 73 E HA 0.253 4.603 4.350 -0.001 0.000 0.214 73 E C 1.359 178.006 176.600 0.079 0.000 0.979 73 E CA 0.875 57.317 56.400 0.070 0.000 1.002 73 E CB -0.032 29.701 29.700 0.055 0.000 1.048 73 E HN 0.743 nan 8.360 nan 0.000 0.488 74 G N 0.689 109.554 108.800 0.108 0.000 2.179 74 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.220 74 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.220 74 G C 0.548 175.476 174.900 0.045 0.000 0.990 74 G CA 0.120 45.263 45.100 0.073 0.000 0.646 74 G HN 0.716 nan 8.290 nan 0.000 0.517 75 A N -0.237 122.613 122.820 0.051 0.000 2.296 75 A HA 0.722 5.042 4.320 -0.001 0.000 0.264 75 A C 0.595 177.999 177.584 -0.299 0.000 1.097 75 A CA 0.657 52.641 52.037 -0.089 0.000 0.811 75 A CB 0.425 19.375 19.000 -0.084 0.000 1.072 75 A HN 0.778 nan 8.150 nan 0.000 0.495 76 Q N 0.377 120.001 119.800 -0.294 0.000 2.286 76 Q HA 0.388 4.727 4.340 -0.001 0.000 0.257 76 Q C -1.155 174.549 176.000 -0.493 0.000 0.941 76 Q CA -0.087 55.549 55.803 -0.279 0.000 0.912 76 Q CB 0.316 28.951 28.738 -0.172 0.000 1.192 76 Q HN 0.823 nan 8.270 nan 0.000 0.410 77 H N 2.129 121.233 119.070 0.057 0.000 3.016 77 H HA 0.361 4.917 4.556 -0.001 0.000 0.362 77 H C -1.235 174.128 175.328 0.057 0.000 1.233 77 H CA -0.718 55.380 56.048 0.082 0.000 1.124 77 H CB 1.915 31.751 29.762 0.123 0.000 1.850 77 H HN 0.833 nan 8.280 nan 0.000 0.549 78 D N -0.464 120.066 120.400 0.215 0.000 2.752 78 D HA 0.473 5.112 4.640 -0.001 0.000 0.313 78 D C -1.091 175.315 176.300 0.178 0.000 1.225 78 D CA -0.747 53.324 54.000 0.117 0.000 0.976 78 D CB 1.260 42.048 40.800 -0.021 0.000 1.443 78 D HN 0.193 nan 8.370 nan 0.000 0.515 79 V N 0.036 119.963 119.914 0.022 0.000 2.531 79 V HA 0.553 4.673 4.120 -0.001 0.000 0.301 79 V C -0.574 175.346 176.094 -0.289 0.000 1.034 79 V CA -0.750 61.544 62.300 -0.010 0.000 0.865 79 V CB 1.709 33.560 31.823 0.047 0.000 0.995 79 V HN 0.563 nan 8.190 nan 0.000 0.424 80 V N 5.268 124.951 119.914 -0.386 0.000 2.495 80 V HA 0.480 4.600 4.120 -0.001 0.000 0.298 80 V C -0.231 175.672 176.094 -0.320 0.000 1.031 80 V CA -0.740 61.256 62.300 -0.507 0.000 0.871 80 V CB 2.111 33.452 31.823 -0.803 0.000 0.988 80 V HN 0.580 nan 8.190 nan 0.000 0.432 81 V N 3.636 123.449 119.914 -0.168 0.000 2.348 81 V HA 0.171 4.291 4.120 -0.001 0.000 0.270 81 V C 1.105 177.220 176.094 0.034 0.000 1.037 81 V CA -0.110 62.162 62.300 -0.047 0.000 0.872 81 V CB 0.923 32.592 31.823 -0.258 0.000 1.002 81 V HN 1.026 nan 8.190 nan 0.000 0.464 82 D N 4.216 124.740 120.400 0.207 0.000 2.421 82 D HA -0.277 4.363 4.640 -0.001 0.000 0.195 82 D C 1.782 178.174 176.300 0.153 0.000 1.022 82 D CA 2.353 56.520 54.000 0.278 0.000 0.871 82 D CB 0.261 41.245 40.800 0.307 0.000 1.026 82 D HN 0.739 nan 8.370 nan 0.000 0.462 83 Q N -2.169 117.710 119.800 0.132 0.000 2.356 83 Q HA 0.074 4.413 4.340 -0.001 0.000 0.205 83 Q C 1.346 177.208 176.000 -0.229 0.000 0.901 83 Q CA -0.017 55.772 55.803 -0.023 0.000 0.938 83 Q CB 0.244 29.010 28.738 0.046 0.000 1.081 83 Q HN 0.470 nan 8.270 nan 0.000 0.517 84 Y N -0.182 119.962 120.300 -0.259 0.000 2.546 84 Y HA 0.174 4.723 4.550 -0.001 0.000 0.287 84 Y C 1.216 177.007 175.900 -0.181 0.000 1.158 84 Y CA 0.354 58.276 58.100 -0.296 0.000 1.307 84 Y CB 0.335 38.449 38.460 -0.577 0.000 1.036 84 Y HN 0.096 nan 8.280 nan 0.000 0.532 85 A N -0.062 122.745 122.820 -0.021 0.000 2.826 85 A HA -0.123 4.196 4.320 -0.001 0.000 0.274 85 A C 0.640 178.202 177.584 -0.037 0.000 1.443 85 A CA 0.627 52.648 52.037 -0.026 0.000 0.833 85 A CB -1.929 17.062 19.000 -0.014 0.000 1.023 85 A HN 0.549 nan 8.150 nan 0.000 0.600 86 A N -0.364 122.415 122.820 -0.067 0.000 2.317 86 A HA 0.882 5.202 4.320 -0.001 0.000 0.327 86 A C 0.251 177.672 177.584 -0.273 0.000 1.178 86 A CA 0.096 52.110 52.037 -0.038 0.000 0.817 86 A CB 0.764 19.836 19.000 0.120 0.000 1.189 86 A HN 1.752 nan 8.150 nan 0.000 0.489 87 R N 0.355 120.541 120.500 -0.523 0.000 2.710 87 R HA 0.680 5.020 4.340 -0.001 0.000 0.270 87 R C -0.445 175.116 176.300 -1.232 0.000 1.021 87 R CA -0.137 55.399 56.100 -0.940 0.000 0.889 87 R CB 1.059 31.078 30.300 -0.468 0.000 1.243 87 R HN 0.784 nan 8.270 nan 0.000 0.464 88 S N 1.144 116.110 115.700 -1.224 0.000 2.632 88 S HA 0.647 5.116 4.470 -0.001 0.000 0.267 88 S C 0.569 175.027 174.600 -0.236 0.000 1.276 88 S CA -0.376 57.516 58.200 -0.514 0.000 0.998 88 S CB 1.209 64.317 63.200 -0.152 0.000 0.953 88 S HN 0.873 nan 8.310 nan 0.000 0.547 89 A N 1.374 124.143 122.820 -0.085 0.000 2.386 89 A HA 0.461 4.780 4.320 -0.001 0.000 0.246 89 A C 0.387 177.956 177.584 -0.025 0.000 1.089 89 A CA -0.610 51.399 52.037 -0.047 0.000 0.790 89 A CB -0.433 18.562 19.000 -0.008 0.000 1.042 89 A HN 0.844 nan 8.150 nan 0.000 0.497 90 I N 0.458 121.016 120.570 -0.020 0.000 2.575 90 I HA 0.244 4.414 4.170 -0.001 0.000 0.285 90 I C -0.321 175.809 176.117 0.021 0.000 1.085 90 I CA 0.081 61.381 61.300 -0.001 0.000 1.403 90 I CB 1.208 39.195 38.000 -0.023 0.000 1.409 90 I HN 0.239 nan 8.210 nan 0.000 0.557 91 V N 7.367 127.311 119.914 0.050 0.000 2.444 91 V HA 0.294 4.414 4.120 -0.001 0.000 0.294 91 V C 0.302 176.430 176.094 0.056 0.000 1.022 91 V CA -0.428 61.912 62.300 0.068 0.000 0.850 91 V CB 1.518 33.408 31.823 0.111 0.000 0.992 91 V HN 0.764 nan 8.190 nan 0.000 0.426 92 N N 3.356 122.077 118.700 0.036 0.000 2.513 92 N HA 0.136 4.876 4.740 -0.001 0.000 0.196 92 N C 0.810 176.337 175.510 0.028 0.000 1.041 92 N CA 0.709 53.767 53.050 0.014 0.000 0.916 92 N CB 0.395 38.883 38.487 0.002 0.000 1.172 92 N HN 0.676 nan 8.380 nan 0.000 0.444 93 G N 0.885 109.705 108.800 0.035 0.000 2.502 93 G HA2 0.268 4.228 3.960 -0.001 0.000 0.305 93 G HA3 0.268 4.228 3.960 -0.001 0.000 0.305 93 G C -0.262 174.672 174.900 0.056 0.000 1.190 93 G CA -0.405 44.718 45.100 0.038 0.000 0.933 93 G HN 0.081 nan 8.290 nan 0.000 0.503 94 K N 0.352 120.784 120.400 0.053 0.000 2.524 94 K HA -0.051 4.269 4.320 -0.001 0.000 0.279 94 K C 0.584 177.214 176.600 0.050 0.000 0.993 94 K CA 0.627 56.949 56.287 0.057 0.000 1.030 94 K CB 0.098 32.626 32.500 0.046 0.000 0.891 94 K HN 0.567 nan 8.250 nan 0.000 0.488 95 N N -0.222 118.509 118.700 0.053 0.000 2.946 95 N HA -0.198 4.542 4.740 -0.001 0.000 0.207 95 N C -0.761 174.777 175.510 0.047 0.000 0.906 95 N CA 1.445 54.522 53.050 0.044 0.000 1.035 95 N CB -1.607 36.901 38.487 0.035 0.000 0.998 95 N HN 0.697 nan 8.380 nan 0.000 0.595 96 A N 0.641 123.493 122.820 0.053 0.000 2.511 96 A HA 0.518 4.838 4.320 -0.001 0.000 0.242 96 A C 0.459 178.081 177.584 0.062 0.000 1.069 96 A CA 0.814 52.883 52.037 0.052 0.000 0.763 96 A CB 0.314 19.344 19.000 0.051 0.000 1.001 96 A HN 0.250 nan 8.150 nan 0.000 0.498 97 S N 0.357 116.089 115.700 0.053 0.000 2.599 97 S HA 0.770 5.239 4.470 -0.001 0.000 0.287 97 S C -0.460 174.177 174.600 0.063 0.000 1.105 97 S CA -0.549 57.686 58.200 0.059 0.000 0.899 97 S CB 1.855 65.080 63.200 0.042 0.000 1.100 97 S HN 1.155 nan 8.310 nan 0.000 0.482 98 S N 1.469 117.219 115.700 0.084 0.000 2.572 98 S HA 0.698 5.168 4.470 -0.001 0.000 0.274 98 S C -0.869 173.819 174.600 0.147 0.000 1.150 98 S CA -0.593 57.666 58.200 0.099 0.000 0.944 98 S CB 1.050 64.307 63.200 0.095 0.000 1.071 98 S HN 0.886 nan 8.310 nan 0.000 0.479 99 T N 2.062 116.694 114.554 0.130 0.000 2.895 99 T HA 0.876 5.225 4.350 -0.001 0.000 0.283 99 T C -0.522 174.320 174.700 0.238 0.000 1.014 99 T CA -0.617 61.553 62.100 0.118 0.000 1.037 99 T CB 1.036 69.911 68.868 0.012 0.000 1.006 99 T HN 0.928 nan 8.240 nan 0.000 0.468 100 F N -0.906 119.039 119.950 -0.009 0.000 2.711 100 F HA 0.860 5.387 4.527 -0.001 0.000 0.313 100 F C -0.857 174.952 175.800 0.015 0.000 1.141 100 F CA -1.105 56.900 58.000 0.007 0.000 0.941 100 F CB 1.121 40.133 39.000 0.021 0.000 1.349 100 F HN 0.909 nan 8.300 nan 0.000 0.464 101 S N 0.600 116.311 115.700 0.018 0.000 2.651 101 S HA 0.937 5.407 4.470 -0.001 0.000 0.279 101 S C -1.402 173.283 174.600 0.142 0.000 1.148 101 S CA -0.653 57.465 58.200 -0.137 0.000 0.837 101 S CB 2.402 65.509 63.200 -0.154 0.000 1.138 101 S HN 1.616 nan 8.310 nan 0.000 0.478 102 F N -1.801 118.080 119.950 -0.115 0.000 2.693 102 F HA 0.760 5.287 4.527 -0.001 0.000 0.309 102 F C -1.751 173.970 175.800 -0.132 0.000 1.129 102 F CA -1.390 56.560 58.000 -0.084 0.000 0.948 102 F CB 0.788 39.731 39.000 -0.095 0.000 1.315 102 F HN 0.446 nan 8.300 nan 0.000 0.447 103 V N 2.487 122.427 119.914 0.042 0.000 2.432 103 V HA 0.565 4.684 4.120 -0.001 0.000 0.271 103 V C 0.590 176.734 176.094 0.083 0.000 1.046 103 V CA -0.263 62.020 62.300 -0.027 0.000 0.945 103 V CB 0.857 32.699 31.823 0.032 0.000 0.992 103 V HN 1.048 nan 8.190 nan 0.000 0.471 104 A N 4.016 126.791 122.820 -0.075 0.000 2.981 104 A HA 0.305 4.625 4.320 -0.001 0.000 0.280 104 A C 1.448 179.156 177.584 0.206 0.000 1.743 104 A CA 0.283 52.339 52.037 0.031 0.000 1.430 104 A CB -0.385 18.580 19.000 -0.057 0.000 1.085 104 A HN 1.021 nan 8.150 nan 0.000 0.597 105 S N 0.189 116.093 115.700 0.340 0.000 2.527 105 S HA 0.117 4.587 4.470 -0.001 0.000 0.222 105 S C 0.443 175.152 174.600 0.182 0.000 0.985 105 S CA 0.315 58.637 58.200 0.203 0.000 0.921 105 S CB 0.004 63.297 63.200 0.154 0.000 0.772 105 S HN 0.490 nan 8.310 nan 0.000 0.529 106 K N 2.255 122.807 120.400 0.253 0.000 2.463 106 K HA 0.508 4.827 4.320 -0.001 0.000 0.255 106 K C -0.420 176.408 176.600 0.380 0.000 0.942 106 K CA -0.610 55.810 56.287 0.222 0.000 0.814 106 K CB 2.244 34.801 32.500 0.095 0.000 1.122 106 K HN 0.177 nan 8.250 nan 0.000 0.425 107 V N 0.484 120.566 119.914 0.280 0.000 3.096 107 V HA 0.851 4.971 4.120 -0.001 0.000 0.306 107 V C 0.531 176.795 176.094 0.283 0.000 1.088 107 V CA 0.775 63.238 62.300 0.272 0.000 1.129 107 V CB 0.387 32.297 31.823 0.146 0.000 1.014 107 V HN 0.885 nan 8.190 nan 0.000 0.486 108 G N 2.572 111.472 108.800 0.167 0.000 2.325 108 G HA2 0.185 4.144 3.960 -0.001 0.000 0.285 108 G HA3 0.185 4.144 3.960 -0.001 0.000 0.285 108 G C -1.118 173.575 174.900 -0.346 0.000 1.303 108 G CA -0.133 44.862 45.100 -0.175 0.000 0.970 108 G HN 1.256 nan 8.290 nan 0.000 0.490 109 E N -0.488 119.291 120.200 -0.703 0.000 2.199 109 E HA 0.689 5.038 4.350 -0.001 0.000 0.265 109 E C -1.536 174.624 176.600 -0.732 0.000 0.882 109 E CA -0.737 55.402 56.400 -0.435 0.000 0.759 109 E CB 1.182 30.747 29.700 -0.224 0.000 1.148 109 E HN 0.341 nan 8.360 nan 0.000 0.412 110 F N 2.065 122.075 119.950 0.099 0.000 2.561 110 F HA 0.352 4.878 4.527 -0.000 0.000 0.313 110 F C 0.029 175.896 175.800 0.111 0.000 1.126 110 F CA -0.922 57.149 58.000 0.119 0.000 0.918 110 F CB 1.618 40.742 39.000 0.207 0.000 1.199 110 F HN 0.344 nan 8.300 nan 0.000 0.444 111 N N 1.506 120.357 118.700 0.252 0.000 2.530 111 N HA 0.324 5.063 4.740 -0.001 0.000 0.273 111 N C -1.344 174.340 175.510 0.290 0.000 1.173 111 N CA -0.538 52.617 53.050 0.176 0.000 0.967 111 N CB 0.767 39.330 38.487 0.127 0.000 1.109 111 N HN 0.614 nan 8.380 nan 0.000 0.453 112 Y N 0.401 120.803 120.300 0.171 0.000 2.446 112 Y HA 0.672 5.222 4.550 -0.001 0.000 0.338 112 Y C -0.828 175.213 175.900 0.234 0.000 1.055 112 Y CA -1.282 56.882 58.100 0.105 0.000 1.101 112 Y CB 0.757 39.194 38.460 -0.039 0.000 1.221 112 Y HN 0.600 nan 8.280 nan 0.000 0.460 113 Y N 0.485 120.939 120.300 0.257 0.000 2.677 113 Y HA 0.560 5.109 4.550 -0.000 0.000 0.334 113 Y C -1.587 174.526 175.900 0.355 0.000 1.196 113 Y CA -2.239 56.026 58.100 0.274 0.000 1.059 113 Y CB 0.503 39.037 38.460 0.123 0.000 1.315 113 Y HN 1.048 nan 8.280 nan 0.000 0.455 114 C N 2.457 122.039 119.300 0.470 0.000 2.369 114 C HA 0.558 5.017 4.460 -0.001 0.000 0.358 114 C C 1.572 176.750 174.990 0.313 0.000 1.274 114 C CA 0.495 59.703 59.018 0.318 0.000 1.935 114 C CB 0.176 28.114 27.740 0.330 0.000 2.431 114 C HN 1.014 nan 8.230 nan 0.000 0.545 115 S N 5.688 121.472 115.700 0.140 0.000 2.558 115 S HA 0.147 4.616 4.470 -0.001 0.000 0.217 115 S C 0.628 175.260 174.600 0.054 0.000 0.975 115 S CA 0.044 58.349 58.200 0.174 0.000 0.912 115 S CB -0.294 62.951 63.200 0.075 0.000 0.776 115 S HN 0.700 nan 8.310 nan 0.000 0.526 116 I N 2.951 123.483 120.570 -0.062 0.000 2.752 116 I HA 0.222 4.392 4.170 -0.001 0.000 0.287 116 I C 1.104 177.079 176.117 -0.236 0.000 1.188 116 I CA -0.586 60.554 61.300 -0.267 0.000 1.427 116 I CB -0.468 37.163 38.000 -0.616 0.000 1.365 116 I HN 0.290 nan 8.210 nan 0.000 0.585 117 A N 4.568 127.287 122.820 -0.169 0.000 2.524 117 A HA 0.430 4.750 4.320 -0.001 0.000 0.250 117 A C 1.312 178.911 177.584 0.026 0.000 1.078 117 A CA 0.546 52.555 52.037 -0.048 0.000 0.761 117 A CB -0.367 18.613 19.000 -0.033 0.000 1.012 117 A HN 1.352 nan 8.150 nan 0.000 0.500 118 G N 1.465 110.312 108.800 0.078 0.000 2.284 118 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.247 118 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.247 118 G C 0.927 175.955 174.900 0.214 0.000 1.012 118 G CA 0.892 46.071 45.100 0.132 0.000 0.618 118 G HN 0.941 nan 8.290 nan 0.000 0.521 119 H N 0.052 119.148 119.070 0.042 0.000 2.389 119 H HA 0.027 4.583 4.556 -0.001 0.000 0.299 119 H C 2.715 178.077 175.328 0.056 0.000 1.081 119 H CA 1.157 57.238 56.048 0.055 0.000 1.345 119 H CB 0.134 29.949 29.762 0.088 0.000 1.393 119 H HN 0.425 nan 8.280 nan 0.000 0.520 120 R N 1.303 121.929 120.500 0.210 0.000 2.081 120 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 120 R C 2.089 178.428 176.300 0.066 0.000 1.131 120 R CA 1.472 57.659 56.100 0.145 0.000 0.960 120 R CB 0.088 30.460 30.300 0.120 0.000 0.856 120 R HN 0.434 nan 8.270 nan 0.000 0.436 121 Q N -0.598 119.233 119.800 0.052 0.000 2.167 121 Q HA -0.057 4.282 4.340 -0.001 0.000 0.202 121 Q C 1.969 177.978 176.000 0.016 0.000 0.970 121 Q CA 1.356 57.172 55.803 0.022 0.000 0.855 121 Q CB 0.018 28.767 28.738 0.019 0.000 0.911 121 Q HN 0.402 nan 8.270 nan 0.000 0.438 122 A N -0.079 122.754 122.820 0.022 0.000 2.121 122 A HA 0.118 4.438 4.320 -0.001 0.000 0.218 122 A C 1.582 179.151 177.584 -0.024 0.000 1.154 122 A CA 1.346 53.376 52.037 -0.011 0.000 0.679 122 A CB -0.114 18.862 19.000 -0.041 0.000 0.795 122 A HN 0.494 nan 8.150 nan 0.000 0.458 123 G N -2.527 106.268 108.800 -0.009 0.000 2.559 123 G HA2 -0.085 3.874 3.960 -0.001 0.000 0.202 123 G HA3 -0.085 3.874 3.960 -0.001 0.000 0.202 123 G C 0.217 175.113 174.900 -0.007 0.000 0.992 123 G CA -0.084 45.009 45.100 -0.012 0.000 0.764 123 G HN 0.216 nan 8.290 nan 0.000 0.525 124 M N 1.803 121.398 119.600 -0.007 0.000 3.011 124 M HA 0.442 4.922 4.480 -0.001 0.000 0.292 124 M C -0.057 176.375 176.300 0.220 0.000 1.440 124 M CA 0.663 55.941 55.300 -0.036 0.000 1.552 124 M CB 0.064 32.565 32.600 -0.165 0.000 1.187 124 M HN 0.340 nan 8.290 nan 0.000 0.520 125 E N 0.828 121.141 120.200 0.188 0.000 2.347 125 E HA 0.647 4.997 4.350 -0.001 0.000 0.285 125 E C -1.296 175.177 176.600 -0.212 0.000 0.925 125 E CA -0.456 55.974 56.400 0.049 0.000 0.779 125 E CB 2.118 31.831 29.700 0.022 0.000 1.233 125 E HN 0.605 nan 8.360 nan 0.000 0.414 126 G N 2.166 110.476 108.800 -0.816 0.000 2.975 126 G HA2 0.461 4.421 3.960 -0.001 0.000 0.291 126 G HA3 0.461 4.421 3.960 -0.001 0.000 0.291 126 G C -1.223 173.278 174.900 -0.665 0.000 1.334 126 G CA -0.614 44.008 45.100 -0.798 0.000 0.843 126 G HN 0.437 nan 8.290 nan 0.000 0.548 127 N N -0.508 118.053 118.700 -0.232 0.000 2.269 127 N HA 0.552 5.291 4.740 -0.001 0.000 0.304 127 N C -1.008 174.626 175.510 0.208 0.000 1.072 127 N CA -0.408 52.650 53.050 0.013 0.000 0.802 127 N CB 2.317 40.806 38.487 0.003 0.000 1.348 127 N HN 0.333 nan 8.380 nan 0.000 0.484 128 I N 1.008 121.732 120.570 0.256 0.000 2.354 128 I HA 0.234 4.403 4.170 -0.001 0.000 0.292 128 I C 0.283 176.531 176.117 0.218 0.000 0.989 128 I CA -0.562 60.867 61.300 0.216 0.000 1.188 128 I CB 1.505 39.672 38.000 0.277 0.000 1.342 128 I HN 0.254 nan 8.210 nan 0.000 0.457 129 Q N 6.519 126.391 119.800 0.121 0.000 2.394 129 Q HA 0.412 4.752 4.340 -0.001 0.000 0.259 129 Q C -1.624 174.436 176.000 0.099 0.000 1.021 129 Q CA -0.608 55.250 55.803 0.093 0.000 0.805 129 Q CB 1.562 30.314 28.738 0.024 0.000 1.226 129 Q HN 0.535 nan 8.270 nan 0.000 0.476 130 V N 6.488 126.523 119.914 0.201 0.000 2.334 130 V HA 0.284 4.403 4.120 -0.001 0.000 0.267 130 V C 0.091 176.238 176.094 0.088 0.000 1.040 130 V CA -0.365 62.045 62.300 0.184 0.000 0.866 130 V CB 0.499 32.554 31.823 0.387 0.000 1.019 130 V HN 0.751 nan 8.190 nan 0.000 0.468 131 L N 7.709 128.894 121.223 -0.063 0.000 2.360 131 L HA 0.568 4.908 4.340 -0.001 0.000 0.271 131 L C -2.001 174.894 176.870 0.043 0.000 1.057 131 L CA -1.913 52.878 54.840 -0.082 0.000 0.803 131 L CB 1.876 43.758 42.059 -0.295 0.000 1.207 131 L HN 0.374 nan 8.230 nan 0.000 0.445 132 P HA 0.280 nan 4.420 nan 0.000 0.274 132 P C 0.070 177.504 177.300 0.223 0.000 1.246 132 P CA 0.280 63.461 63.100 0.136 0.000 0.795 132 P CB 1.159 32.916 31.700 0.095 0.000 1.006 133 G N 0.963 109.863 108.800 0.167 0.000 2.660 133 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.215 133 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.215 133 G C -0.997 173.956 174.900 0.089 0.000 1.345 133 G CA -0.666 44.511 45.100 0.127 0.000 0.877 133 G HN 0.681 nan 8.290 nan 0.000 0.549 134 N N -0.017 118.648 118.700 -0.058 0.000 2.370 134 N HA 0.498 5.238 4.740 -0.001 0.000 0.303 134 N C 0.464 175.678 175.510 -0.494 0.000 1.103 134 N CA -0.719 52.225 53.050 -0.176 0.000 0.848 134 N CB 1.819 40.270 38.487 -0.059 0.000 1.235 134 N HN 0.788 nan 8.380 nan 0.000 0.496 135 R N 0.816 120.977 120.500 -0.565 0.000 2.583 135 R HA 0.122 4.461 4.340 -0.001 0.000 0.274 135 R C 0.251 176.438 176.300 -0.189 0.000 0.998 135 R CA -0.132 55.678 56.100 -0.483 0.000 1.081 135 R CB 0.185 30.468 30.300 -0.027 0.000 0.940 135 R HN 0.674 nan 8.270 nan 0.000 0.413 136 A N 4.116 126.863 122.820 -0.123 0.000 2.536 136 A HA -0.000 4.320 4.320 -0.001 0.000 0.234 136 A C -0.160 177.395 177.584 -0.050 0.000 1.076 136 A CA -0.075 51.932 52.037 -0.050 0.000 0.769 136 A CB 0.160 19.155 19.000 -0.007 0.000 1.020 136 A HN 0.755 nan 8.150 nan 0.000 0.508 137 E N 0.953 121.128 120.200 -0.041 0.000 2.415 137 E HA 0.090 4.440 4.350 -0.001 0.000 0.262 137 E C 0.191 176.760 176.600 -0.052 0.000 1.038 137 E CA 0.174 56.543 56.400 -0.052 0.000 0.921 137 E CB 0.281 29.959 29.700 -0.037 0.000 0.950 137 E HN 0.596 nan 8.360 nan 0.000 0.438 138 M N 2.448 122.005 119.600 -0.072 0.000 2.248 138 M HA -0.062 4.418 4.480 -0.001 0.000 0.343 138 M C 0.628 176.903 176.300 -0.041 0.000 1.243 138 M CA 1.166 56.429 55.300 -0.062 0.000 1.025 138 M CB 0.011 32.565 32.600 -0.076 0.000 1.759 138 M HN 0.324 nan 8.290 nan 0.000 0.452 139 K N 0.989 121.371 120.400 -0.029 0.000 2.533 139 K HA 0.856 5.175 4.320 -0.001 0.000 0.272 139 K C -1.234 175.358 176.600 -0.014 0.000 0.985 139 K CA -0.898 55.378 56.287 -0.018 0.000 0.876 139 K CB 2.139 34.633 32.500 -0.010 0.000 1.452 139 K HN 0.764 nan 8.250 nan 0.000 0.439 140 S N -0.852 114.843 115.700 -0.007 0.000 2.669 140 S HA 0.185 4.655 4.470 -0.001 0.000 0.266 140 S C -0.096 174.506 174.600 0.003 0.000 1.149 140 S CA -0.275 57.925 58.200 -0.002 0.000 0.842 140 S CB 0.604 63.804 63.200 -0.000 0.000 1.160 140 S HN 0.884 nan 8.310 nan 0.000 0.487 141 S N -0.505 115.200 115.700 0.007 0.000 2.671 141 S HA 0.428 4.897 4.470 -0.001 0.000 0.220 141 S C 0.836 175.444 174.600 0.013 0.000 0.951 141 S CA -0.041 58.164 58.200 0.009 0.000 0.932 141 S CB -0.815 62.391 63.200 0.009 0.000 0.777 141 S HN 1.303 nan 8.310 nan 0.000 0.508 142 G N 0.631 109.441 108.800 0.016 0.000 2.412 142 G HA2 0.652 4.611 3.960 -0.001 0.000 0.318 142 G HA3 0.652 4.611 3.960 -0.001 0.000 0.318 142 G C -0.085 174.819 174.900 0.007 0.000 1.146 142 G CA -0.561 44.554 45.100 0.024 0.000 0.882 142 G HN 0.542 nan 8.290 nan 0.000 0.501 143 A N 0.810 123.631 122.820 0.002 0.000 2.366 143 A HA 0.426 4.745 4.320 -0.001 0.000 0.249 143 A C 0.272 177.830 177.584 -0.044 0.000 1.084 143 A CA -0.237 51.790 52.037 -0.017 0.000 0.794 143 A CB 0.419 19.407 19.000 -0.019 0.000 1.034 143 A HN 0.639 nan 8.150 nan 0.000 0.491 144 D N 0.705 121.083 120.400 -0.037 0.000 2.338 144 D HA 0.260 4.900 4.640 -0.001 0.000 0.255 144 D C 0.434 176.689 176.300 -0.075 0.000 1.237 144 D CA -0.230 53.743 54.000 -0.045 0.000 0.883 144 D CB 0.155 40.955 40.800 -0.001 0.000 1.087 144 D HN 0.330 nan 8.370 nan 0.000 0.485 145 I N 0.814 121.285 120.570 -0.166 0.000 3.941 145 I HA 0.215 4.384 4.170 -0.001 0.000 0.335 145 I C 0.553 176.577 176.117 -0.155 0.000 1.402 145 I CA -0.676 60.488 61.300 -0.227 0.000 1.112 145 I CB -0.720 36.975 38.000 -0.509 0.000 1.043 145 I HN 0.185 nan 8.210 nan 0.000 0.395 146 T N -0.684 113.849 114.554 -0.036 0.000 2.910 146 T HA 0.472 4.822 4.350 -0.001 0.000 0.293 146 T C 0.152 174.888 174.700 0.060 0.000 1.015 146 T CA -0.584 61.559 62.100 0.072 0.000 1.094 146 T CB 1.424 70.446 68.868 0.258 0.000 0.968 146 T HN 0.373 nan 8.240 nan 0.000 0.521 147 R N 1.807 122.306 120.500 -0.001 0.000 2.265 147 R HA 0.204 4.543 4.340 -0.001 0.000 0.314 147 R C -0.151 175.975 176.300 -0.290 0.000 1.053 147 R CA -0.480 55.560 56.100 -0.099 0.000 0.931 147 R CB 0.337 30.548 30.300 -0.148 0.000 1.024 147 R HN 0.762 nan 8.270 nan 0.000 0.457 148 D N 5.643 125.757 120.400 -0.477 0.000 2.425 148 D HA 0.010 4.650 4.640 -0.001 0.000 0.247 148 D C -1.495 174.700 176.300 -0.176 0.000 1.147 148 D CA -1.735 51.857 54.000 -0.679 0.000 0.879 148 D CB 1.451 42.047 40.800 -0.340 0.000 1.179 148 D HN 0.400 nan 8.370 nan 0.000 0.456 149 P HA -0.051 nan 4.420 nan 0.000 0.226 149 P C 0.577 178.049 177.300 0.286 0.000 1.153 149 P CA 0.539 63.743 63.100 0.174 0.000 0.777 149 P CB 0.234 32.055 31.700 0.202 0.000 0.794 150 A N -0.354 122.575 122.820 0.182 0.000 2.275 150 A HA 0.030 4.350 4.320 -0.001 0.000 0.212 150 A C 1.017 178.598 177.584 -0.005 0.000 1.201 150 A CA 0.176 52.237 52.037 0.039 0.000 0.843 150 A CB -0.867 18.128 19.000 -0.007 0.000 0.873 150 A HN -0.004 nan 8.150 nan 0.000 0.492 151 D N 1.354 121.784 120.400 0.050 0.000 2.558 151 D HA 0.382 5.022 4.640 -0.001 0.000 0.221 151 D C -0.229 176.117 176.300 0.076 0.000 1.143 151 D CA 0.071 54.102 54.000 0.051 0.000 1.010 151 D CB -0.631 40.203 40.800 0.056 0.000 1.068 151 D HN 0.469 nan 8.370 nan 0.000 0.511 152 L N -0.341 120.838 121.223 -0.074 0.000 2.466 152 L HA 0.782 5.122 4.340 -0.001 0.000 0.258 152 L C -2.670 174.063 176.870 -0.229 0.000 0.973 152 L CA -2.167 52.528 54.840 -0.241 0.000 0.826 152 L CB 1.352 42.965 42.059 -0.743 0.000 1.372 152 L HN -0.204 nan 8.230 nan 0.000 0.409 153 P HA 0.245 nan 4.420 nan 0.000 0.266 153 P C 0.073 177.260 177.300 -0.189 0.000 1.195 153 P CA 0.131 63.156 63.100 -0.125 0.000 0.768 153 P CB 0.767 32.438 31.700 -0.049 0.000 0.838 154 G N 2.687 111.410 108.800 -0.128 0.000 2.543 154 G HA2 0.406 4.366 3.960 -0.001 0.000 0.290 154 G HA3 0.406 4.366 3.960 -0.001 0.000 0.290 154 G C -2.532 172.322 174.900 -0.077 0.000 1.310 154 G CA -1.450 43.579 45.100 -0.117 0.000 1.025 154 G HN 0.317 nan 8.290 nan 0.000 0.502 155 P HA -0.008 nan 4.420 nan 0.000 0.261 155 P C 0.234 177.516 177.300 -0.030 0.000 1.165 155 P CA 0.427 63.510 63.100 -0.027 0.000 0.759 155 P CB 0.338 32.023 31.700 -0.025 0.000 0.772 156 I N 2.029 122.585 120.570 -0.023 0.000 2.892 156 I HA 0.042 4.212 4.170 -0.001 0.000 0.287 156 I C 1.679 177.782 176.117 -0.024 0.000 1.205 156 I CA 0.211 61.496 61.300 -0.026 0.000 1.409 156 I CB 0.250 38.236 38.000 -0.025 0.000 1.367 156 I HN 0.415 nan 8.210 nan 0.000 0.597 157 G N 4.570 113.355 108.800 -0.026 0.000 2.716 157 G HA2 0.085 4.045 3.960 -0.001 0.000 0.251 157 G HA3 0.085 4.045 3.960 -0.001 0.000 0.251 157 G C -1.641 173.248 174.900 -0.019 0.000 1.224 157 G CA -0.689 44.398 45.100 -0.022 0.000 0.891 157 G HN 0.499 nan 8.290 nan 0.000 0.561 158 P HA -0.102 nan 4.420 nan 0.000 0.221 158 P C 0.835 178.125 177.300 -0.017 0.000 1.141 158 P CA 0.394 63.486 63.100 -0.014 0.000 0.794 158 P CB -0.020 31.672 31.700 -0.012 0.000 0.764 159 R N -0.631 119.857 120.500 -0.020 0.000 3.191 159 R HA -0.207 4.133 4.340 -0.001 0.000 0.178 159 R C 0.577 176.863 176.300 -0.024 0.000 0.854 159 R CA 0.557 56.643 56.100 -0.024 0.000 0.839 159 R CB -0.199 30.083 30.300 -0.030 0.000 1.038 159 R HN 0.192 nan 8.270 nan 0.000 0.321 160 Q N 1.524 121.309 119.800 -0.025 0.000 2.382 160 Q HA 0.430 4.769 4.340 -0.001 0.000 0.229 160 Q C -0.577 175.402 176.000 -0.035 0.000 1.006 160 Q CA 0.459 56.246 55.803 -0.027 0.000 0.916 160 Q CB 1.165 29.888 28.738 -0.025 0.000 1.235 160 Q HN 0.625 nan 8.270 nan 0.000 0.512 161 A N 2.611 125.409 122.820 -0.037 0.000 2.561 161 A HA 0.375 4.695 4.320 -0.001 0.000 0.234 161 A C -0.422 177.128 177.584 -0.056 0.000 1.055 161 A CA 0.597 52.605 52.037 -0.049 0.000 0.756 161 A CB -0.252 18.720 19.000 -0.047 0.000 0.986 161 A HN 0.709 nan 8.150 nan 0.000 0.505 162 K N 0.137 120.494 120.400 -0.072 0.000 2.466 162 K HA 0.651 4.971 4.320 -0.001 0.000 0.277 162 K C -0.975 175.564 176.600 -0.101 0.000 1.039 162 K CA -0.815 55.427 56.287 -0.076 0.000 0.904 162 K CB 0.871 33.331 32.500 -0.066 0.000 1.506 162 K HN 0.295 nan 8.250 nan 0.000 0.441 163 T N 1.278 115.773 114.554 -0.099 0.000 2.794 163 T HA 0.318 4.668 4.350 -0.001 0.000 0.296 163 T C -0.616 174.011 174.700 -0.122 0.000 0.949 163 T CA -0.541 61.486 62.100 -0.122 0.000 1.101 163 T CB 0.708 69.514 68.868 -0.104 0.000 0.905 163 T HN 0.302 nan 8.240 nan 0.000 0.516 164 V N 4.624 124.442 119.914 -0.160 0.000 2.459 164 V HA 0.480 4.599 4.120 -0.001 0.000 0.295 164 V C 0.332 176.336 176.094 -0.149 0.000 1.029 164 V CA -0.968 61.242 62.300 -0.150 0.000 0.874 164 V CB 1.776 33.491 31.823 -0.180 0.000 0.985 164 V HN 0.687 nan 8.190 nan 0.000 0.438 165 R N 4.727 125.167 120.500 -0.101 0.000 2.312 165 R HA 0.655 4.994 4.340 -0.001 0.000 0.311 165 R C -1.392 174.867 176.300 -0.067 0.000 1.004 165 R CA -0.394 55.670 56.100 -0.060 0.000 0.902 165 R CB 0.966 31.242 30.300 -0.040 0.000 1.073 165 R HN 0.681 nan 8.270 nan 0.000 0.457 166 I N 3.402 123.947 120.570 -0.043 0.000 2.498 166 I HA 0.231 4.401 4.170 -0.001 0.000 0.290 166 I C -0.766 175.372 176.117 0.034 0.000 1.032 166 I CA -0.808 60.466 61.300 -0.043 0.000 1.073 166 I CB 2.358 40.291 38.000 -0.112 0.000 1.251 166 I HN 0.401 nan 8.210 nan 0.000 0.426 167 D N 7.667 128.081 120.400 0.023 0.000 2.344 167 D HA 0.529 5.169 4.640 -0.001 0.000 0.239 167 D C -0.640 175.710 176.300 0.083 0.000 1.064 167 D CA -0.162 53.874 54.000 0.060 0.000 0.829 167 D CB 2.295 43.099 40.800 0.006 0.000 1.129 167 D HN 0.236 nan 8.370 nan 0.000 0.506 168 L N 1.413 122.713 121.223 0.128 0.000 2.334 168 L HA 0.428 4.767 4.340 -0.001 0.000 0.276 168 L C 0.353 177.346 176.870 0.205 0.000 1.014 168 L CA -0.677 54.268 54.840 0.176 0.000 0.815 168 L CB 2.297 44.466 42.059 0.183 0.000 1.268 168 L HN 0.142 nan 8.230 nan 0.000 0.428 169 E N 1.402 121.735 120.200 0.221 0.000 2.210 169 E HA 0.332 4.682 4.350 -0.001 0.000 0.266 169 E C -1.103 175.597 176.600 0.165 0.000 0.883 169 E CA -0.468 56.038 56.400 0.177 0.000 0.761 169 E CB 2.381 32.164 29.700 0.139 0.000 1.156 169 E HN 0.622 nan 8.360 nan 0.000 0.412 170 T N -0.267 114.335 114.554 0.080 0.000 2.749 170 T HA 0.557 4.907 4.350 -0.001 0.000 0.287 170 T C -0.324 174.287 174.700 -0.149 0.000 0.970 170 T CA -0.651 61.365 62.100 -0.140 0.000 0.980 170 T CB 0.881 69.586 68.868 -0.271 0.000 0.924 170 T HN 0.063 nan 8.240 nan 0.000 0.456 171 V N 3.598 123.395 119.914 -0.195 0.000 2.569 171 V HA 0.383 4.502 4.120 -0.001 0.000 0.301 171 V C -0.357 175.665 176.094 -0.120 0.000 1.044 171 V CA -0.942 61.287 62.300 -0.119 0.000 0.874 171 V CB 1.858 33.650 31.823 -0.053 0.000 1.002 171 V HN 0.965 nan 8.190 nan 0.000 0.424 172 E N 3.112 123.249 120.200 -0.105 0.000 2.200 172 E HA 0.657 5.007 4.350 -0.001 0.000 0.283 172 E C -0.938 175.683 176.600 0.034 0.000 1.015 172 E CA -0.373 56.039 56.400 0.020 0.000 0.819 172 E CB 2.521 32.191 29.700 -0.049 0.000 1.081 172 E HN 0.385 nan 8.360 nan 0.000 0.397 173 V N 3.198 123.182 119.914 0.117 0.000 2.851 173 V HA 0.197 4.316 4.120 -0.001 0.000 0.307 173 V C -1.201 174.971 176.094 0.130 0.000 1.129 173 V CA -0.964 61.379 62.300 0.073 0.000 0.932 173 V CB 1.993 33.834 31.823 0.030 0.000 1.024 173 V HN 0.673 nan 8.190 nan 0.000 0.426 174 K N 4.710 125.158 120.400 0.079 0.000 2.351 174 K HA 0.519 4.838 4.320 -0.001 0.000 0.287 174 K C 0.126 176.800 176.600 0.122 0.000 1.068 174 K CA 0.591 56.935 56.287 0.095 0.000 0.998 174 K CB 0.140 32.666 32.500 0.043 0.000 0.968 174 K HN 0.939 nan 8.250 nan 0.000 0.464 175 G N 2.774 111.731 108.800 0.261 0.000 2.471 175 G HA2 0.148 4.107 3.960 -0.001 0.000 0.332 175 G HA3 0.148 4.107 3.960 -0.001 0.000 0.332 175 G C -1.301 173.712 174.900 0.188 0.000 1.176 175 G CA -0.679 44.502 45.100 0.133 0.000 0.949 175 G HN 0.693 nan 8.290 nan 0.000 0.488 176 Q N 0.083 119.910 119.800 0.045 0.000 2.293 176 Q HA 0.198 4.538 4.340 -0.001 0.000 0.263 176 Q C 0.614 176.666 176.000 0.086 0.000 1.002 176 Q CA -0.509 55.324 55.803 0.050 0.000 0.910 176 Q CB 1.008 29.742 28.738 -0.007 0.000 1.185 176 Q HN 0.445 nan 8.270 nan 0.000 0.401 177 L N 4.110 125.392 121.223 0.097 0.000 2.357 177 L HA 0.374 4.714 4.340 -0.001 0.000 0.211 177 L C -0.332 176.509 176.870 -0.049 0.000 1.075 177 L CA 1.429 56.280 54.840 0.018 0.000 0.830 177 L CB 0.506 42.446 42.059 -0.198 0.000 0.996 177 L HN 0.729 nan 8.230 nan 0.000 0.467 178 D N -2.073 118.300 120.400 -0.045 0.000 2.713 178 D HA 0.139 4.779 4.640 -0.001 0.000 0.306 178 D C -1.552 174.722 176.300 -0.043 0.000 1.299 178 D CA -0.567 53.412 54.000 -0.035 0.000 0.823 178 D CB 1.145 41.923 40.800 -0.037 0.000 1.353 178 D HN -0.076 nan 8.370 nan 0.000 0.447 179 D N 0.385 120.752 120.400 -0.054 0.000 2.531 179 D HA 0.089 4.729 4.640 -0.001 0.000 0.239 179 D C 0.595 176.871 176.300 -0.040 0.000 1.144 179 D CA 0.978 54.949 54.000 -0.049 0.000 0.869 179 D CB 0.074 40.840 40.800 -0.058 0.000 1.160 179 D HN 0.508 nan 8.370 nan 0.000 0.484 180 N N 1.622 120.308 118.700 -0.024 0.000 2.714 180 N HA -0.236 4.503 4.740 -0.001 0.000 0.250 180 N C -1.290 174.210 175.510 -0.017 0.000 1.117 180 N CA 1.542 54.583 53.050 -0.015 0.000 0.719 180 N CB -1.069 37.412 38.487 -0.011 0.000 1.081 180 N HN 0.459 nan 8.380 nan 0.000 0.557 181 T N -1.534 113.007 114.554 -0.022 0.000 2.991 181 T HA 0.653 5.003 4.350 -0.001 0.000 0.303 181 T C -0.246 174.450 174.700 -0.006 0.000 1.015 181 T CA 0.283 62.369 62.100 -0.024 0.000 1.007 181 T CB 1.423 70.262 68.868 -0.049 0.000 1.034 181 T HN 0.374 nan 8.240 nan 0.000 0.446 182 T N 1.824 116.390 114.554 0.019 0.000 2.907 182 T HA 0.799 5.149 4.350 -0.001 0.000 0.290 182 T C -1.440 173.328 174.700 0.114 0.000 1.066 182 T CA -0.845 61.300 62.100 0.075 0.000 1.012 182 T CB 1.870 70.774 68.868 0.060 0.000 1.184 182 T HN 0.818 nan 8.240 nan 0.000 0.522 183 Y N -0.678 119.606 120.300 -0.027 0.000 2.592 183 Y HA 0.465 5.015 4.550 -0.000 0.000 0.334 183 Y C -0.989 174.853 175.900 -0.097 0.000 1.136 183 Y CA -0.669 57.326 58.100 -0.176 0.000 1.042 183 Y CB 1.897 40.086 38.460 -0.453 0.000 1.325 183 Y HN 0.886 nan 8.280 nan 0.000 0.457 184 T N 5.444 119.589 114.554 -0.683 0.000 2.782 184 T HA 0.280 4.630 4.350 -0.001 0.000 0.298 184 T C -0.986 173.477 174.700 -0.394 0.000 0.944 184 T CA 0.125 62.013 62.100 -0.354 0.000 1.001 184 T CB -0.776 67.943 68.868 -0.247 0.000 0.932 184 T HN 0.323 nan 8.240 nan 0.000 0.524 185 Y N 1.598 121.891 120.300 -0.011 0.000 2.301 185 Y HA 0.410 4.959 4.550 -0.001 0.000 0.325 185 Y C -0.034 176.000 175.900 0.224 0.000 1.203 185 Y CA -0.880 57.265 58.100 0.075 0.000 1.255 185 Y CB 0.907 39.422 38.460 0.091 0.000 1.232 185 Y HN 0.530 nan 8.280 nan 0.000 0.501 186 W N 1.999 123.349 121.300 0.084 0.000 2.475 186 W HA 0.538 5.198 4.660 -0.000 0.000 0.317 186 W C -0.459 175.983 176.519 -0.129 0.000 1.046 186 W CA -1.502 55.803 57.345 -0.067 0.000 1.215 186 W CB 1.347 30.770 29.460 -0.061 0.000 1.335 186 W HN 0.456 nan 8.180 nan 0.000 0.471 187 T N -0.602 113.932 114.554 -0.033 0.000 2.896 187 T HA 0.708 5.058 4.350 -0.001 0.000 0.297 187 T C -1.139 173.416 174.700 -0.242 0.000 1.108 187 T CA -0.728 61.315 62.100 -0.095 0.000 1.004 187 T CB 1.518 70.384 68.868 -0.003 0.000 1.159 187 T HN -0.018 nan 8.240 nan 0.000 0.499 188 F N 2.110 122.087 119.950 0.047 0.000 2.404 188 F HA 0.414 4.941 4.527 -0.001 0.000 0.358 188 F C 0.876 176.722 175.800 0.077 0.000 1.120 188 F CA -0.490 57.562 58.000 0.086 0.000 1.144 188 F CB 0.262 39.376 39.000 0.190 0.000 1.133 188 F HN 0.746 nan 8.300 nan 0.000 0.495 189 N N 1.781 120.616 118.700 0.225 0.000 2.747 189 N HA -0.189 4.551 4.740 -0.001 0.000 0.249 189 N C 0.982 176.551 175.510 0.098 0.000 1.107 189 N CA 1.158 54.300 53.050 0.154 0.000 0.707 189 N CB -1.393 37.198 38.487 0.172 0.000 1.054 189 N HN 1.091 nan 8.380 nan 0.000 0.555 190 G N -2.012 106.824 108.800 0.061 0.000 2.184 190 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.264 190 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.264 190 G C 0.074 174.969 174.900 -0.009 0.000 0.975 190 G CA 1.051 46.162 45.100 0.018 0.000 0.642 190 G HN 0.600 nan 8.290 nan 0.000 0.536 191 K N -1.100 119.306 120.400 0.011 0.000 2.444 191 K HA 0.750 5.070 4.320 -0.001 0.000 0.252 191 K C -0.934 175.638 176.600 -0.047 0.000 0.993 191 K CA -0.910 55.360 56.287 -0.029 0.000 0.847 191 K CB 3.041 35.544 32.500 0.004 0.000 1.340 191 K HN 0.112 nan 8.250 nan 0.000 0.446 192 V N 2.846 122.698 119.914 -0.104 0.000 2.483 192 V HA 0.332 4.451 4.120 -0.001 0.000 0.297 192 V C -2.238 173.775 176.094 -0.135 0.000 1.027 192 V CA -1.951 60.249 62.300 -0.167 0.000 0.855 192 V CB 1.449 33.173 31.823 -0.165 0.000 0.995 192 V HN 0.702 nan 8.190 nan 0.000 0.424 193 P HA 0.134 nan 4.420 nan 0.000 0.272 193 P C 0.411 177.696 177.300 -0.024 0.000 1.254 193 P CA 0.239 63.213 63.100 -0.210 0.000 0.795 193 P CB 0.749 32.349 31.700 -0.167 0.000 1.022 194 G N -0.077 108.780 108.800 0.095 0.000 2.611 194 G HA2 0.310 4.270 3.960 -0.001 0.000 0.273 194 G HA3 0.310 4.270 3.960 -0.001 0.000 0.273 194 G C -2.459 172.680 174.900 0.400 0.000 1.305 194 G CA -1.215 44.056 45.100 0.286 0.000 1.010 194 G HN 0.347 nan 8.290 nan 0.000 0.509 195 P HA 0.046 nan 4.420 nan 0.000 0.264 195 P C -0.508 177.004 177.300 0.354 0.000 1.193 195 P CA 0.047 63.356 63.100 0.349 0.000 0.763 195 P CB 0.293 32.126 31.700 0.222 0.000 0.810 196 F N 4.747 124.712 119.950 0.024 0.000 2.533 196 F HA 0.152 4.678 4.527 -0.001 0.000 0.378 196 F C -0.106 175.584 175.800 -0.183 0.000 1.070 196 F CA 0.096 57.873 58.000 -0.372 0.000 1.172 196 F CB 0.038 38.524 39.000 -0.857 0.000 1.085 196 F HN 0.102 nan 8.300 nan 0.000 0.552 197 L N 7.109 128.174 121.223 -0.265 0.000 2.309 197 L HA 0.565 4.905 4.340 -0.001 0.000 0.282 197 L C -0.285 176.450 176.870 -0.225 0.000 1.036 197 L CA -0.852 53.888 54.840 -0.166 0.000 0.806 197 L CB 1.734 43.677 42.059 -0.194 0.000 1.220 197 L HN 0.556 nan 8.230 nan 0.000 0.429 198 R N 2.865 123.318 120.500 -0.078 0.000 2.500 198 R HA 0.663 5.003 4.340 -0.001 0.000 0.299 198 R C -1.272 174.988 176.300 -0.068 0.000 1.038 198 R CA -0.444 55.633 56.100 -0.038 0.000 0.903 198 R CB 1.769 32.116 30.300 0.080 0.000 1.177 198 R HN 0.556 nan 8.270 nan 0.000 0.455 199 V N 0.084 119.949 119.914 -0.082 0.000 3.156 199 V HA 0.704 4.824 4.120 -0.001 0.000 0.311 199 V C -1.010 175.051 176.094 -0.055 0.000 1.208 199 V CA -1.205 61.041 62.300 -0.090 0.000 1.063 199 V CB 1.968 33.703 31.823 -0.147 0.000 1.098 199 V HN 0.728 nan 8.190 nan 0.000 0.452 200 R N 0.536 121.001 120.500 -0.058 0.000 2.589 200 R HA 0.662 5.002 4.340 -0.001 0.000 0.293 200 R C -0.687 175.594 176.300 -0.032 0.000 0.963 200 R CA -0.538 55.542 56.100 -0.033 0.000 0.905 200 R CB 2.000 32.277 30.300 -0.037 0.000 1.144 200 R HN 0.907 nan 8.270 nan 0.000 0.459 201 V N 4.089 124.000 119.914 -0.004 0.000 2.953 201 V HA 0.079 4.198 4.120 -0.001 0.000 0.304 201 V C 1.230 177.311 176.094 -0.022 0.000 1.138 201 V CA 2.502 64.802 62.300 0.001 0.000 1.266 201 V CB 0.745 32.584 31.823 0.026 0.000 0.923 201 V HN 1.115 nan 8.190 nan 0.000 0.505 202 G N 4.124 112.905 108.800 -0.031 0.000 2.284 202 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.247 202 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.247 202 G C 0.069 174.925 174.900 -0.073 0.000 1.012 202 G CA 0.297 45.371 45.100 -0.043 0.000 0.618 202 G HN 0.846 nan 8.290 nan 0.000 0.521 203 D N 1.453 121.797 120.400 -0.093 0.000 2.449 203 D HA 0.432 5.071 4.640 -0.001 0.000 0.236 203 D C 0.574 176.760 176.300 -0.190 0.000 1.149 203 D CA 0.952 54.870 54.000 -0.137 0.000 0.878 203 D CB 0.718 41.424 40.800 -0.156 0.000 1.198 203 D HN 0.141 nan 8.370 nan 0.000 0.446 204 T N 1.474 115.903 114.554 -0.208 0.000 2.749 204 T HA 0.372 4.722 4.350 -0.001 0.000 0.287 204 T C -0.122 174.352 174.700 -0.377 0.000 0.970 204 T CA -0.632 61.305 62.100 -0.272 0.000 0.980 204 T CB 0.989 69.743 68.868 -0.191 0.000 0.924 204 T HN -0.038 nan 8.240 nan 0.000 0.456 205 V N 4.003 123.532 119.914 -0.641 0.000 2.370 205 V HA 0.329 4.448 4.120 -0.001 0.000 0.279 205 V C 0.411 176.136 176.094 -0.616 0.000 1.029 205 V CA -0.749 61.096 62.300 -0.759 0.000 0.870 205 V CB 1.329 32.360 31.823 -1.320 0.000 0.984 205 V HN 0.840 nan 8.190 nan 0.000 0.451 206 E N 5.212 125.206 120.200 -0.344 0.000 2.046 206 E HA 0.281 4.630 4.350 -0.001 0.000 0.279 206 E C -1.168 175.362 176.600 -0.117 0.000 0.989 206 E CA -0.562 55.712 56.400 -0.210 0.000 0.798 206 E CB 0.982 30.622 29.700 -0.099 0.000 1.086 206 E HN 0.498 nan 8.360 nan 0.000 0.399 207 L N 6.938 128.090 121.223 -0.119 0.000 2.265 207 L HA 0.299 4.639 4.340 -0.001 0.000 0.289 207 L C -0.985 175.881 176.870 -0.006 0.000 1.033 207 L CA -0.390 54.456 54.840 0.010 0.000 0.814 207 L CB 0.798 42.945 42.059 0.147 0.000 1.203 207 L HN 0.717 nan 8.230 nan 0.000 0.423 208 H N 6.524 125.608 119.070 0.025 0.000 2.556 208 H HA 0.274 4.829 4.556 -0.001 0.000 0.310 208 H C -0.599 174.775 175.328 0.075 0.000 1.057 208 H CA -0.553 55.520 56.048 0.042 0.000 1.264 208 H CB 2.524 32.299 29.762 0.021 0.000 1.404 208 H HN 0.516 nan 8.280 nan 0.000 0.462 209 L N 4.720 126.044 121.223 0.168 0.000 2.294 209 L HA 0.316 4.656 4.340 -0.001 0.000 0.283 209 L C -0.680 176.279 176.870 0.148 0.000 1.015 209 L CA -0.677 54.267 54.840 0.173 0.000 0.831 209 L CB 0.529 42.695 42.059 0.178 0.000 1.217 209 L HN 0.443 nan 8.230 nan 0.000 0.420 210 K N 3.578 124.065 120.400 0.145 0.000 2.235 210 K HA 0.323 4.643 4.320 -0.001 0.000 0.266 210 K C -0.755 175.911 176.600 0.110 0.000 0.980 210 K CA -0.729 55.623 56.287 0.107 0.000 0.849 210 K CB 1.330 33.879 32.500 0.083 0.000 1.098 210 K HN 0.354 nan 8.250 nan 0.000 0.445 211 N N 2.198 120.955 118.700 0.094 0.000 2.422 211 N HA 0.041 4.781 4.740 -0.001 0.000 0.266 211 N C -0.991 174.574 175.510 0.093 0.000 1.007 211 N CA -0.422 52.694 53.050 0.109 0.000 0.941 211 N CB 0.468 39.026 38.487 0.118 0.000 1.115 211 N HN 0.516 nan 8.380 nan 0.000 0.492 212 H N 1.969 121.054 119.070 0.025 0.000 2.972 212 H HA -0.036 4.520 4.556 -0.001 0.000 0.343 212 H C 1.456 176.789 175.328 0.009 0.000 1.054 212 H CA 0.754 56.810 56.048 0.013 0.000 1.412 212 H CB 0.996 30.759 29.762 0.000 0.000 1.385 212 H HN 0.610 nan 8.280 nan 0.000 0.600 213 K N 2.476 122.797 120.400 -0.131 0.000 2.209 213 K HA -0.158 4.161 4.320 -0.001 0.000 0.204 213 K C 0.579 177.254 176.600 0.125 0.000 1.048 213 K CA 1.804 58.084 56.287 -0.011 0.000 0.940 213 K CB 0.232 32.676 32.500 -0.093 0.000 0.729 213 K HN 0.533 nan 8.250 nan 0.000 0.451 214 D N 1.249 121.869 120.400 0.368 0.000 2.363 214 D HA 0.030 4.670 4.640 -0.001 0.000 0.220 214 D C -0.040 176.312 176.300 0.087 0.000 0.994 214 D CA 0.339 54.460 54.000 0.201 0.000 0.890 214 D CB 0.135 41.031 40.800 0.160 0.000 0.906 214 D HN 0.114 nan 8.370 nan 0.000 0.530 215 S N 0.240 115.999 115.700 0.098 0.000 2.560 215 S HA 0.089 4.558 4.470 -0.001 0.000 0.284 215 S C 1.699 176.272 174.600 -0.045 0.000 1.327 215 S CA -0.270 57.935 58.200 0.010 0.000 1.055 215 S CB 1.013 64.253 63.200 0.067 0.000 0.868 215 S HN 0.145 nan 8.310 nan 0.000 0.506 216 L N 1.263 122.418 121.223 -0.113 0.000 2.209 216 L HA 0.076 4.416 4.340 -0.001 0.000 0.207 216 L C 0.516 177.272 176.870 -0.192 0.000 1.094 216 L CA 0.692 55.459 54.840 -0.122 0.000 0.790 216 L CB -0.154 41.847 42.059 -0.097 0.000 0.932 216 L HN 0.473 nan 8.230 nan 0.000 0.447 217 M N -0.106 119.282 119.600 -0.353 0.000 2.528 217 M HA 0.270 4.750 4.480 -0.001 0.000 0.318 217 M C -0.145 175.854 176.300 -0.502 0.000 1.195 217 M CA -0.786 54.222 55.300 -0.487 0.000 1.000 217 M CB 2.029 34.112 32.600 -0.862 0.000 1.615 217 M HN -0.222 nan 8.290 nan 0.000 0.469 218 V N 3.117 122.812 119.914 -0.365 0.000 2.740 218 V HA 0.209 4.329 4.120 -0.001 0.000 0.303 218 V C -0.544 175.235 176.094 -0.526 0.000 1.054 218 V CA 0.321 62.434 62.300 -0.311 0.000 1.106 218 V CB 0.231 31.962 31.823 -0.153 0.000 0.957 218 V HN 0.797 nan 8.190 nan 0.000 0.486 219 H N 3.944 122.970 119.070 -0.073 0.000 2.894 219 H HA 0.810 5.365 4.556 -0.001 0.000 0.368 219 H C -0.146 175.166 175.328 -0.025 0.000 1.181 219 H CA 0.067 56.068 56.048 -0.077 0.000 1.146 219 H CB 2.171 31.892 29.762 -0.068 0.000 1.839 219 H HN 1.042 nan 8.280 nan 0.000 0.557 220 S N -0.192 115.601 115.700 0.154 0.000 2.755 220 S HA 0.592 5.062 4.470 -0.001 0.000 0.286 220 S C -1.328 173.398 174.600 0.210 0.000 1.207 220 S CA -0.738 57.543 58.200 0.135 0.000 0.892 220 S CB 1.888 65.111 63.200 0.039 0.000 1.240 220 S HN 0.448 nan 8.310 nan 0.000 0.525 221 V N 1.068 121.016 119.914 0.056 0.000 2.924 221 V HA 0.682 4.801 4.120 -0.001 0.000 0.300 221 V C -2.386 173.488 176.094 -0.366 0.000 1.227 221 V CA -0.245 61.962 62.300 -0.154 0.000 0.954 221 V CB 1.975 33.552 31.823 -0.410 0.000 1.055 221 V HN 1.176 nan 8.190 nan 0.000 0.429 222 D N 5.189 125.275 120.400 -0.523 0.000 2.593 222 D HA 0.470 5.109 4.640 -0.001 0.000 0.251 222 D C -1.367 174.586 176.300 -0.578 0.000 1.140 222 D CA -0.161 53.565 54.000 -0.457 0.000 0.855 222 D CB 1.324 41.920 40.800 -0.340 0.000 1.267 222 D HN 0.262 nan 8.370 nan 0.000 0.532 223 F N 2.281 122.092 119.950 -0.231 0.000 2.427 223 F HA 0.325 4.852 4.527 -0.001 0.000 0.346 223 F C 1.789 177.542 175.800 -0.078 0.000 1.120 223 F CA -0.681 57.201 58.000 -0.197 0.000 1.033 223 F CB 1.547 40.308 39.000 -0.398 0.000 1.126 223 F HN 0.497 nan 8.300 nan 0.000 0.462 224 H N 1.804 120.915 119.070 0.067 0.000 2.521 224 H HA -0.040 4.515 4.556 -0.001 0.000 0.286 224 H C 1.895 177.046 175.328 -0.295 0.000 1.034 224 H CA 0.506 56.580 56.048 0.043 0.000 1.278 224 H CB 0.395 30.314 29.762 0.262 0.000 1.386 224 H HN 0.915 nan 8.280 nan 0.000 0.567 225 G N 0.090 108.591 108.800 -0.499 0.000 2.985 225 G HA2 0.271 4.231 3.960 -0.001 0.000 0.209 225 G HA3 0.271 4.231 3.960 -0.001 0.000 0.209 225 G C 0.400 174.996 174.900 -0.506 0.000 1.165 225 G CA 0.257 44.630 45.100 -1.211 0.000 0.776 225 G HN 0.298 nan 8.290 nan 0.000 0.541 226 A N -0.216 122.380 122.820 -0.373 0.000 2.295 226 A HA 0.721 5.040 4.320 -0.001 0.000 0.318 226 A C -0.163 177.286 177.584 -0.225 0.000 1.134 226 A CA -0.224 51.557 52.037 -0.426 0.000 0.827 226 A CB 0.986 19.429 19.000 -0.929 0.000 1.136 226 A HN 0.044 nan 8.150 nan 0.000 0.493 227 T N 0.915 115.386 114.554 -0.138 0.000 2.833 227 T HA 0.693 5.043 4.350 -0.001 0.000 0.297 227 T C 0.089 174.767 174.700 -0.037 0.000 1.015 227 T CA 0.421 62.481 62.100 -0.066 0.000 0.963 227 T CB 0.915 69.763 68.868 -0.033 0.000 0.955 227 T HN 1.930 nan 8.240 nan 0.000 0.449 228 G N 4.224 113.017 108.800 -0.012 0.000 2.359 228 G HA2 0.271 4.231 3.960 -0.001 0.000 0.314 228 G HA3 0.271 4.231 3.960 -0.001 0.000 0.314 228 G C -3.234 171.716 174.900 0.083 0.000 1.364 228 G CA -1.245 43.884 45.100 0.048 0.000 0.978 228 G HN 0.455 nan 8.290 nan 0.000 0.615 229 P HA 0.318 nan 4.420 nan 0.000 0.256 229 P C 1.129 178.486 177.300 0.096 0.000 1.173 229 P CA 2.085 65.250 63.100 0.109 0.000 0.768 229 P CB 0.405 32.156 31.700 0.085 0.000 0.758 230 G N 3.582 112.404 108.800 0.036 0.000 2.233 230 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.270 230 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.270 230 G C 0.929 175.831 174.900 0.003 0.000 1.011 230 G CA 0.636 45.748 45.100 0.020 0.000 0.762 230 G HN 1.065 nan 8.290 nan 0.000 0.511 231 G N -1.320 107.476 108.800 -0.006 0.000 2.258 231 G HA2 0.276 4.235 3.960 -0.001 0.000 0.274 231 G HA3 0.276 4.235 3.960 -0.001 0.000 0.274 231 G C 1.075 175.919 174.900 -0.092 0.000 1.021 231 G CA 1.330 46.390 45.100 -0.067 0.000 0.798 231 G HN 2.615 nan 8.290 nan 0.000 0.507 232 A N -3.302 119.530 122.820 0.020 0.000 3.629 232 A HA 0.230 4.550 4.320 -0.001 0.000 0.224 232 A C 2.335 180.031 177.584 0.188 0.000 1.104 232 A CA 1.513 53.630 52.037 0.132 0.000 1.660 232 A CB -1.754 17.269 19.000 0.038 0.000 0.911 232 A HN 2.283 nan 8.150 nan 0.000 0.805 233 A N 0.028 122.888 122.820 0.066 0.000 1.972 233 A HA 0.323 4.643 4.320 -0.001 0.000 0.219 233 A C 2.357 179.955 177.584 0.023 0.000 1.169 233 A CA 2.086 54.139 52.037 0.026 0.000 0.635 233 A CB -0.902 18.091 19.000 -0.011 0.000 0.810 233 A HN 2.150 nan 8.150 nan 0.000 0.446 234 A N -1.852 120.965 122.820 -0.005 0.000 2.172 234 A HA 0.171 4.491 4.320 -0.001 0.000 0.216 234 A C 1.468 178.845 177.584 -0.345 0.000 1.154 234 A CA 0.989 52.906 52.037 -0.200 0.000 0.701 234 A CB -0.590 18.213 19.000 -0.329 0.000 0.789 234 A HN 0.493 nan 8.150 nan 0.000 0.465 235 F N -0.825 119.121 119.950 -0.006 0.000 2.678 235 F HA 0.116 4.643 4.527 -0.001 0.000 0.305 235 F C 1.707 177.513 175.800 0.010 0.000 1.090 235 F CA 1.017 59.019 58.000 0.004 0.000 1.272 235 F CB 0.560 39.569 39.000 0.016 0.000 1.060 235 F HN 0.210 nan 8.300 nan 0.000 0.576 236 T N -3.697 110.949 114.554 0.152 0.000 3.231 236 T HA 0.145 4.495 4.350 -0.001 0.000 0.292 236 T C 0.325 175.066 174.700 0.068 0.000 1.001 236 T CA -0.290 61.881 62.100 0.118 0.000 0.920 236 T CB -0.103 68.842 68.868 0.129 0.000 1.140 236 T HN -0.219 nan 8.240 nan 0.000 0.525 237 Q N 2.680 122.496 119.800 0.027 0.000 2.244 237 Q HA 0.263 4.603 4.340 -0.001 0.000 0.276 237 Q C -0.484 175.521 176.000 0.008 0.000 1.122 237 Q CA 0.604 56.406 55.803 -0.003 0.000 0.920 237 Q CB 0.317 29.035 28.738 -0.033 0.000 1.186 237 Q HN 0.351 nan 8.270 nan 0.000 0.393 238 T N 3.135 117.700 114.554 0.018 0.000 2.815 238 T HA 0.215 4.565 4.350 -0.001 0.000 0.289 238 T C -0.350 174.354 174.700 0.007 0.000 1.000 238 T CA -0.896 61.223 62.100 0.031 0.000 0.958 238 T CB 1.027 69.939 68.868 0.073 0.000 0.944 238 T HN 0.252 nan 8.240 nan 0.000 0.442 239 D N 4.026 124.423 120.400 -0.005 0.000 2.382 239 D HA 0.199 4.839 4.640 -0.001 0.000 0.240 239 D C -2.227 174.072 176.300 -0.002 0.000 1.146 239 D CA -1.660 52.328 54.000 -0.020 0.000 0.897 239 D CB 0.389 41.177 40.800 -0.021 0.000 1.197 239 D HN 0.180 nan 8.370 nan 0.000 0.432 240 P HA 0.057 nan 4.420 nan 0.000 0.264 240 P C 0.922 178.223 177.300 0.001 0.000 1.183 240 P CA 0.822 63.929 63.100 0.011 0.000 0.763 240 P CB 0.495 32.194 31.700 -0.002 0.000 0.807 241 G N 0.983 109.779 108.800 -0.006 0.000 2.212 241 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.266 241 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.266 241 G C 0.248 175.137 174.900 -0.018 0.000 0.978 241 G CA -0.019 45.061 45.100 -0.035 0.000 0.632 241 G HN 0.512 nan 8.290 nan 0.000 0.537 242 E N 0.311 120.512 120.200 0.002 0.000 2.267 242 E HA 0.669 5.019 4.350 -0.001 0.000 0.258 242 E C 0.100 176.719 176.600 0.032 0.000 1.074 242 E CA -0.568 55.840 56.400 0.013 0.000 0.915 242 E CB 1.444 31.151 29.700 0.013 0.000 1.186 242 E HN 0.534 nan 8.360 nan 0.000 0.439 243 E N -0.275 119.948 120.200 0.040 0.000 2.312 243 E HA 0.477 4.827 4.350 -0.001 0.000 0.267 243 E C -1.311 175.322 176.600 0.055 0.000 0.894 243 E CA -0.445 55.991 56.400 0.061 0.000 0.773 243 E CB 2.050 31.795 29.700 0.075 0.000 1.241 243 E HN 0.257 nan 8.360 nan 0.000 0.432 244 T N 1.594 116.186 114.554 0.063 0.000 2.912 244 T HA 0.498 4.848 4.350 -0.001 0.000 0.299 244 T C -1.616 173.093 174.700 0.016 0.000 1.052 244 T CA -0.454 61.677 62.100 0.052 0.000 0.996 244 T CB 1.345 70.257 68.868 0.075 0.000 1.070 244 T HN 0.221 nan 8.240 nan 0.000 0.465 245 V N 3.813 123.710 119.914 -0.029 0.000 2.638 245 V HA 0.821 4.941 4.120 -0.001 0.000 0.306 245 V C -0.618 175.433 176.094 -0.072 0.000 1.052 245 V CA -0.760 61.448 62.300 -0.153 0.000 0.885 245 V CB 1.771 33.402 31.823 -0.320 0.000 0.999 245 V HN 0.662 nan 8.190 nan 0.000 0.424 246 V N 3.982 123.851 119.914 -0.075 0.000 2.841 246 V HA 0.858 4.977 4.120 -0.001 0.000 0.310 246 V C -0.328 175.707 176.094 -0.098 0.000 1.090 246 V CA 0.102 62.356 62.300 -0.077 0.000 0.930 246 V CB 2.657 34.477 31.823 -0.006 0.000 1.014 246 V HN 1.090 nan 8.190 nan 0.000 0.425 247 T N 5.077 119.536 114.554 -0.157 0.000 2.829 247 T HA 0.828 5.178 4.350 -0.001 0.000 0.280 247 T C -1.017 173.611 174.700 -0.120 0.000 0.999 247 T CA -0.448 61.545 62.100 -0.178 0.000 0.983 247 T CB 1.179 69.931 68.868 -0.193 0.000 0.968 247 T HN 1.237 nan 8.240 nan 0.000 0.446 248 F N 0.374 120.181 119.950 -0.238 0.000 2.591 248 F HA 0.715 5.241 4.527 -0.001 0.000 0.309 248 F C -0.698 174.982 175.800 -0.199 0.000 1.098 248 F CA -1.350 56.513 58.000 -0.228 0.000 0.937 248 F CB 1.453 40.312 39.000 -0.235 0.000 1.250 248 F HN 0.485 nan 8.300 nan 0.000 0.447 249 K N 2.080 122.483 120.400 0.005 0.000 2.249 249 K HA 0.621 4.941 4.320 -0.001 0.000 0.280 249 K C -0.372 176.256 176.600 0.048 0.000 1.033 249 K CA -0.561 55.695 56.287 -0.052 0.000 0.946 249 K CB 1.542 34.019 32.500 -0.039 0.000 1.005 249 K HN 0.857 nan 8.250 nan 0.000 0.469 250 A N 4.856 127.652 122.820 -0.041 0.000 2.527 250 A HA 0.181 4.500 4.320 -0.001 0.000 0.313 250 A C 0.843 178.420 177.584 -0.010 0.000 1.410 250 A CA -0.332 51.698 52.037 -0.011 0.000 1.060 250 A CB -0.365 18.600 19.000 -0.059 0.000 1.137 250 A HN 0.811 nan 8.150 nan 0.000 0.542 251 L N 2.107 123.329 121.223 -0.001 0.000 2.307 251 L HA 0.242 4.582 4.340 -0.001 0.000 0.211 251 L C 0.011 176.902 176.870 0.034 0.000 1.099 251 L CA 0.877 55.722 54.840 0.009 0.000 0.816 251 L CB -0.102 41.961 42.059 0.006 0.000 0.952 251 L HN 0.586 nan 8.230 nan 0.000 0.455 252 I N 0.547 121.153 120.570 0.061 0.000 2.512 252 I HA 0.290 4.459 4.170 -0.001 0.000 0.287 252 I C -2.384 173.861 176.117 0.213 0.000 1.069 252 I CA -1.999 59.376 61.300 0.124 0.000 1.056 252 I CB 2.390 40.478 38.000 0.147 0.000 1.229 252 I HN -0.241 nan 8.210 nan 0.000 0.429 253 P HA 0.369 nan 4.420 nan 0.000 0.269 253 P C -0.083 177.320 177.300 0.172 0.000 1.215 253 P CA 0.235 63.435 63.100 0.166 0.000 0.780 253 P CB 1.066 32.821 31.700 0.093 0.000 0.898 254 G N 0.638 109.484 108.800 0.077 0.000 2.321 254 G HA2 0.344 4.304 3.960 -0.001 0.000 0.298 254 G HA3 0.344 4.304 3.960 -0.001 0.000 0.298 254 G C -2.159 172.486 174.900 -0.425 0.000 1.385 254 G CA -0.611 44.306 45.100 -0.305 0.000 0.856 254 G HN 0.551 nan 8.290 nan 0.000 0.584 255 I N 0.703 120.975 120.570 -0.497 0.000 2.354 255 I HA 0.726 4.896 4.170 -0.001 0.000 0.286 255 I C -1.382 174.515 176.117 -0.367 0.000 1.007 255 I CA -1.310 59.825 61.300 -0.274 0.000 1.167 255 I CB 0.408 38.409 38.000 0.001 0.000 1.320 255 I HN 0.428 nan 8.210 nan 0.000 0.458 256 Y N 5.912 126.219 120.300 0.012 0.000 2.352 256 Y HA 0.526 5.076 4.550 -0.001 0.000 0.339 256 Y C 0.109 176.011 175.900 0.003 0.000 0.992 256 Y CA -0.935 57.203 58.100 0.064 0.000 1.100 256 Y CB 1.802 40.330 38.460 0.112 0.000 1.192 256 Y HN 0.435 nan 8.280 nan 0.000 0.458 257 V N 5.529 125.495 119.914 0.085 0.000 2.775 257 V HA 0.360 4.480 4.120 -0.001 0.000 0.299 257 V C -1.145 174.833 176.094 -0.194 0.000 1.062 257 V CA -0.317 61.911 62.300 -0.120 0.000 1.063 257 V CB 0.306 32.039 31.823 -0.150 0.000 0.994 257 V HN 0.689 nan 8.190 nan 0.000 0.483 258 Y N 4.335 124.547 120.300 -0.148 0.000 2.570 258 Y HA 0.945 5.495 4.550 -0.001 0.000 0.345 258 Y C -0.579 175.261 175.900 -0.100 0.000 1.014 258 Y CA -0.781 57.153 58.100 -0.277 0.000 1.063 258 Y CB 1.420 39.691 38.460 -0.315 0.000 1.272 258 Y HN 1.072 nan 8.280 nan 0.000 0.477 259 H N -0.469 118.641 119.070 0.068 0.000 3.003 259 H HA 0.428 4.983 4.556 -0.001 0.000 0.327 259 H C -1.499 174.040 175.328 0.351 0.000 1.353 259 H CA -1.558 54.645 56.048 0.259 0.000 1.142 259 H CB 0.547 30.423 29.762 0.189 0.000 1.864 259 H HN 1.118 nan 8.280 nan 0.000 0.529 260 C N 1.297 120.982 119.300 0.642 0.000 2.657 260 C HA 0.630 5.089 4.460 -0.001 0.000 0.420 260 C C 1.332 176.530 174.990 0.347 0.000 1.323 260 C CA 0.649 59.928 59.018 0.435 0.000 1.894 260 C CB -1.266 26.674 27.740 0.333 0.000 2.681 260 C HN 0.896 nan 8.230 nan 0.000 0.613 261 A N 4.654 127.558 122.820 0.140 0.000 2.643 261 A HA 0.398 4.718 4.320 -0.001 0.000 0.295 261 A C 0.401 177.978 177.584 -0.010 0.000 1.065 261 A CA -0.105 51.997 52.037 0.108 0.000 0.986 261 A CB -0.044 18.980 19.000 0.039 0.000 1.212 261 A HN 0.845 nan 8.150 nan 0.000 0.516 262 T N 2.952 117.405 114.554 -0.168 0.000 2.799 262 T HA 0.457 4.807 4.350 -0.001 0.000 0.286 262 T C -2.846 171.742 174.700 -0.187 0.000 0.973 262 T CA -1.100 60.837 62.100 -0.271 0.000 1.035 262 T CB 1.251 69.814 68.868 -0.508 0.000 0.932 262 T HN 0.099 nan 8.240 nan 0.000 0.469 263 P HA 0.094 nan 4.420 nan 0.000 0.264 263 P C -0.432 176.978 177.300 0.183 0.000 1.193 263 P CA -0.173 62.972 63.100 0.076 0.000 0.763 263 P CB 0.391 32.118 31.700 0.046 0.000 0.810 264 S N 3.109 118.986 115.700 0.296 0.000 2.465 264 S HA 0.116 4.586 4.470 -0.001 0.000 0.279 264 S C 1.295 176.088 174.600 0.321 0.000 1.201 264 S CA -0.626 57.717 58.200 0.240 0.000 1.053 264 S CB -0.105 63.213 63.200 0.197 0.000 0.953 264 S HN 0.132 nan 8.310 nan 0.000 0.488 265 V N 7.224 127.259 119.914 0.201 0.000 2.295 265 V HA -0.049 4.071 4.120 -0.001 0.000 0.246 265 V C -0.452 175.762 176.094 0.199 0.000 1.049 265 V CA 1.712 64.136 62.300 0.207 0.000 1.024 265 V CB -1.534 30.380 31.823 0.151 0.000 0.648 265 V HN 0.755 nan 8.190 nan 0.000 0.447 266 P HA -0.126 nan 4.420 nan 0.000 0.219 266 P C 1.629 178.969 177.300 0.067 0.000 1.146 266 P CA 1.542 64.674 63.100 0.053 0.000 0.808 266 P CB -0.221 31.468 31.700 -0.018 0.000 0.779 267 T N -0.730 113.884 114.554 0.100 0.000 2.674 267 T HA -0.152 4.197 4.350 -0.001 0.000 0.265 267 T C 1.769 176.454 174.700 -0.025 0.000 1.039 267 T CA 1.203 63.307 62.100 0.005 0.000 1.150 267 T CB -0.992 67.892 68.868 0.027 0.000 0.864 267 T HN 0.313 nan 8.240 nan 0.000 0.427 268 H N 0.524 119.728 119.070 0.224 0.000 2.387 268 H HA 0.004 4.560 4.556 -0.001 0.000 0.299 268 H C 2.364 177.857 175.328 0.276 0.000 1.099 268 H CA 1.273 57.568 56.048 0.410 0.000 1.315 268 H CB -0.243 29.803 29.762 0.474 0.000 1.380 268 H HN 0.335 nan 8.280 nan 0.000 0.513 269 I N 0.008 120.779 120.570 0.335 0.000 2.163 269 I HA -0.233 3.936 4.170 -0.001 0.000 0.240 269 I C 2.842 179.148 176.117 0.316 0.000 1.081 269 I CA 1.392 62.891 61.300 0.331 0.000 1.353 269 I CB -0.338 37.761 38.000 0.165 0.000 1.054 269 I HN 0.174 nan 8.210 nan 0.000 0.407 270 T N 0.745 115.399 114.554 0.167 0.000 2.803 270 T HA -0.153 4.196 4.350 -0.001 0.000 0.269 270 T C 1.626 176.376 174.700 0.085 0.000 1.052 270 T CA 1.683 63.871 62.100 0.147 0.000 1.136 270 T CB -0.292 68.665 68.868 0.147 0.000 0.864 270 T HN 0.244 nan 8.240 nan 0.000 0.467 271 N N 0.474 119.154 118.700 -0.032 0.000 2.512 271 N HA 0.100 4.840 4.740 -0.001 0.000 0.183 271 N C 1.402 176.957 175.510 0.075 0.000 1.073 271 N CA 1.085 54.051 53.050 -0.140 0.000 0.911 271 N CB 0.113 38.147 38.487 -0.755 0.000 0.964 271 N HN 0.643 nan 8.380 nan 0.000 0.447 272 G N -0.577 108.311 108.800 0.147 0.000 2.321 272 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.174 272 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.174 272 G C -0.045 174.711 174.900 -0.241 0.000 1.008 272 G CA -0.491 44.599 45.100 -0.017 0.000 0.739 272 G HN 0.146 nan 8.290 nan 0.000 0.502 273 M N 1.717 121.350 119.600 0.055 0.000 3.422 273 M HA 0.492 4.972 4.480 -0.001 0.000 0.248 273 M C -0.323 176.249 176.300 0.453 0.000 1.433 273 M CA -0.249 55.115 55.300 0.107 0.000 1.592 273 M CB -0.607 31.997 32.600 0.007 0.000 1.078 273 M HN 0.396 nan 8.290 nan 0.000 0.578 274 Y N -1.570 118.917 120.300 0.310 0.000 2.552 274 Y HA 0.941 5.491 4.550 -0.000 0.000 0.337 274 Y C -0.332 175.451 175.900 -0.197 0.000 1.094 274 Y CA -1.302 56.838 58.100 0.067 0.000 1.028 274 Y CB 1.037 39.516 38.460 0.031 0.000 1.321 274 Y HN 0.322 nan 8.280 nan 0.000 0.456 275 G N 1.240 109.693 108.800 -0.577 0.000 2.682 275 G HA2 0.626 4.585 3.960 -0.001 0.000 0.303 275 G HA3 0.626 4.585 3.960 -0.001 0.000 0.303 275 G C -2.351 172.246 174.900 -0.505 0.000 1.341 275 G CA -1.267 43.477 45.100 -0.593 0.000 0.784 275 G HN 0.726 nan 8.290 nan 0.000 0.497 276 L N 0.453 121.591 121.223 -0.142 0.000 2.346 276 L HA 0.645 4.984 4.340 -0.001 0.000 0.274 276 L C -0.709 175.987 176.870 -0.289 0.000 1.007 276 L CA -0.917 53.796 54.840 -0.212 0.000 0.818 276 L CB 2.147 43.996 42.059 -0.349 0.000 1.284 276 L HN 0.332 nan 8.230 nan 0.000 0.424 277 L N 4.511 125.645 121.223 -0.147 0.000 2.343 277 L HA 0.456 4.795 4.340 -0.001 0.000 0.278 277 L C -1.322 175.407 176.870 -0.235 0.000 0.996 277 L CA -0.792 53.934 54.840 -0.189 0.000 0.831 277 L CB 1.846 43.976 42.059 0.119 0.000 1.232 277 L HN 0.474 nan 8.230 nan 0.000 0.413 278 L N 6.456 127.406 121.223 -0.454 0.000 2.265 278 L HA 0.366 4.705 4.340 -0.001 0.000 0.288 278 L C -0.707 176.140 176.870 -0.038 0.000 1.058 278 L CA -0.019 54.696 54.840 -0.209 0.000 0.809 278 L CB 1.501 43.428 42.059 -0.221 0.000 1.179 278 L HN 0.369 nan 8.230 nan 0.000 0.429 279 V N 5.695 125.666 119.914 0.095 0.000 2.320 279 V HA 0.282 4.401 4.120 -0.001 0.000 0.265 279 V C 0.391 176.527 176.094 0.070 0.000 1.048 279 V CA -0.689 61.670 62.300 0.099 0.000 0.865 279 V CB 0.295 32.240 31.823 0.204 0.000 1.043 279 V HN 0.741 nan 8.190 nan 0.000 0.474 280 E N 7.086 127.306 120.200 0.033 0.000 2.392 280 E HA 0.178 4.527 4.350 -0.001 0.000 0.264 280 E C -2.187 174.433 176.600 0.033 0.000 1.024 280 E CA -1.392 55.027 56.400 0.032 0.000 0.903 280 E CB 0.771 30.483 29.700 0.020 0.000 0.963 280 E HN 0.449 nan 8.360 nan 0.000 0.432 281 P HA -0.010 nan 4.420 nan 0.000 0.274 281 P C 0.258 177.571 177.300 0.022 0.000 1.246 281 P CA 0.003 63.124 63.100 0.035 0.000 0.795 281 P CB 0.860 32.585 31.700 0.042 0.000 1.006 282 E N 1.505 121.716 120.200 0.018 0.000 2.108 282 E HA -0.203 4.146 4.350 -0.001 0.000 0.203 282 E C 1.910 178.514 176.600 0.007 0.000 1.022 282 E CA 2.351 58.757 56.400 0.009 0.000 0.823 282 E CB -0.914 28.791 29.700 0.009 0.000 0.744 282 E HN 0.728 nan 8.360 nan 0.000 0.456 283 G N -1.126 107.681 108.800 0.011 0.000 3.141 283 G HA2 0.389 4.349 3.960 -0.001 0.000 0.218 283 G HA3 0.389 4.349 3.960 -0.001 0.000 0.218 283 G C 0.360 175.264 174.900 0.007 0.000 1.170 283 G CA 0.182 45.286 45.100 0.007 0.000 0.769 283 G HN 0.579 nan 8.290 nan 0.000 0.546 284 G N -0.585 108.221 108.800 0.010 0.000 2.758 284 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.686 284 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.686 284 G C -0.140 174.768 174.900 0.013 0.000 1.389 284 G CA -0.654 44.453 45.100 0.011 0.000 0.845 284 G HN 0.464 nan 8.290 nan 0.000 0.572 285 L N 1.240 122.470 121.223 0.013 0.000 2.472 285 L HA 0.356 4.696 4.340 -0.001 0.000 0.260 285 L C -1.316 175.549 176.870 -0.007 0.000 1.209 285 L CA -1.551 53.285 54.840 -0.006 0.000 0.817 285 L CB 0.263 42.304 42.059 -0.030 0.000 1.106 285 L HN 0.425 nan 8.230 nan 0.000 0.479 286 P HA -0.008 nan 4.420 nan 0.000 0.266 286 P C -1.148 176.136 177.300 -0.027 0.000 1.195 286 P CA -0.325 62.767 63.100 -0.013 0.000 0.768 286 P CB 0.253 31.942 31.700 -0.017 0.000 0.838 287 Q N 1.642 121.427 119.800 -0.025 0.000 2.332 287 Q HA 0.331 4.670 4.340 -0.001 0.000 0.263 287 Q C -0.356 175.618 176.000 -0.044 0.000 0.979 287 Q CA -0.145 55.639 55.803 -0.033 0.000 0.885 287 Q CB 0.545 29.267 28.738 -0.026 0.000 1.218 287 Q HN 0.213 nan 8.270 nan 0.000 0.405 288 V N 1.432 121.308 119.914 -0.064 0.000 3.160 288 V HA 0.133 4.253 4.120 -0.001 0.000 0.310 288 V C 0.209 176.248 176.094 -0.091 0.000 1.181 288 V CA -0.544 61.707 62.300 -0.082 0.000 1.047 288 V CB 2.406 34.160 31.823 -0.116 0.000 1.068 288 V HN 0.845 nan 8.190 nan 0.000 0.441 289 D N 1.356 121.697 120.400 -0.098 0.000 2.137 289 D HA 0.067 4.707 4.640 -0.001 0.000 0.202 289 D C 0.331 176.541 176.300 -0.151 0.000 0.970 289 D CA 0.987 54.929 54.000 -0.097 0.000 0.837 289 D CB 0.346 41.106 40.800 -0.067 0.000 0.981 289 D HN 0.439 nan 8.370 nan 0.000 0.475 290 R N 0.448 120.819 120.500 -0.216 0.000 2.651 290 R HA 0.518 4.858 4.340 -0.001 0.000 0.278 290 R C -0.663 175.345 176.300 -0.486 0.000 1.010 290 R CA -0.612 55.256 56.100 -0.386 0.000 0.896 290 R CB 2.209 32.216 30.300 -0.488 0.000 1.211 290 R HN -0.102 nan 8.270 nan 0.000 0.456 291 E N 1.716 121.564 120.200 -0.586 0.000 2.244 291 E HA 0.528 4.878 4.350 -0.001 0.000 0.266 291 E C -1.113 175.074 176.600 -0.689 0.000 0.914 291 E CA -0.645 55.483 56.400 -0.453 0.000 0.794 291 E CB 1.898 31.506 29.700 -0.153 0.000 1.210 291 E HN 0.248 nan 8.360 nan 0.000 0.414 292 F N 0.810 120.768 119.950 0.013 0.000 2.613 292 F HA 0.336 4.863 4.527 -0.001 0.000 0.314 292 F C -0.984 174.968 175.800 0.253 0.000 1.075 292 F CA -1.087 56.961 58.000 0.079 0.000 0.945 292 F CB 1.492 40.524 39.000 0.053 0.000 1.310 292 F HN 0.374 nan 8.300 nan 0.000 0.467 293 Y N 3.045 123.518 120.300 0.289 0.000 2.338 293 Y HA 0.679 5.229 4.550 -0.001 0.000 0.328 293 Y C -1.529 174.517 175.900 0.244 0.000 0.965 293 Y CA -1.958 56.298 58.100 0.260 0.000 1.208 293 Y CB 1.173 39.719 38.460 0.144 0.000 1.132 293 Y HN 0.440 nan 8.280 nan 0.000 0.469 294 V N 7.836 127.970 119.914 0.366 0.000 2.760 294 V HA 0.729 4.848 4.120 -0.001 0.000 0.309 294 V C -1.603 174.544 176.094 0.088 0.000 1.077 294 V CA -0.760 61.623 62.300 0.139 0.000 0.910 294 V CB 1.936 33.819 31.823 0.100 0.000 1.008 294 V HN 0.804 nan 8.190 nan 0.000 0.424 295 M N 5.085 124.712 119.600 0.044 0.000 2.530 295 M HA 0.547 5.027 4.480 -0.001 0.000 0.307 295 M C -0.924 175.525 176.300 0.249 0.000 1.161 295 M CA -0.509 54.793 55.300 0.003 0.000 0.903 295 M CB 2.397 35.057 32.600 0.100 0.000 1.711 295 M HN 0.838 nan 8.290 nan 0.000 0.451 296 Q N 0.909 120.780 119.800 0.119 0.000 2.282 296 Q HA 0.768 5.108 4.340 -0.001 0.000 0.260 296 Q C -1.016 174.983 176.000 -0.001 0.000 0.964 296 Q CA -0.496 55.452 55.803 0.241 0.000 0.880 296 Q CB 2.104 31.074 28.738 0.386 0.000 1.286 296 Q HN 0.921 nan 8.270 nan 0.000 0.445 297 G N 2.376 111.203 108.800 0.045 0.000 2.682 297 G HA2 0.511 4.470 3.960 -0.001 0.000 0.290 297 G HA3 0.511 4.470 3.960 -0.001 0.000 0.290 297 G C -1.649 173.213 174.900 -0.063 0.000 1.425 297 G CA -0.706 44.349 45.100 -0.075 0.000 0.807 297 G HN 0.617 nan 8.290 nan 0.000 0.482 298 E N -0.904 119.204 120.200 -0.153 0.000 2.244 298 E HA 0.713 5.062 4.350 -0.001 0.000 0.266 298 E C -0.768 175.621 176.600 -0.351 0.000 0.914 298 E CA -0.580 55.544 56.400 -0.461 0.000 0.794 298 E CB 2.941 32.187 29.700 -0.756 0.000 1.210 298 E HN 0.363 nan 8.360 nan 0.000 0.414 299 I N 1.718 121.978 120.570 -0.517 0.000 2.608 299 I HA 0.318 4.488 4.170 -0.001 0.000 0.295 299 I C -1.307 174.520 176.117 -0.483 0.000 1.049 299 I CA -0.934 60.111 61.300 -0.425 0.000 1.063 299 I CB 1.328 38.970 38.000 -0.598 0.000 1.248 299 I HN 0.507 nan 8.210 nan 0.000 0.424 300 Y N 3.564 123.759 120.300 -0.175 0.000 2.575 300 Y HA 0.372 4.922 4.550 -0.001 0.000 0.326 300 Y C 0.348 176.240 175.900 -0.014 0.000 0.979 300 Y CA -0.526 57.524 58.100 -0.083 0.000 1.286 300 Y CB 1.618 40.032 38.460 -0.078 0.000 1.093 300 Y HN 0.344 nan 8.280 nan 0.000 0.501 301 T N 1.859 116.489 114.554 0.127 0.000 2.895 301 T HA 0.282 4.632 4.350 -0.001 0.000 0.283 301 T C 1.180 175.960 174.700 0.133 0.000 1.014 301 T CA -0.443 61.741 62.100 0.141 0.000 1.037 301 T CB 1.499 70.462 68.868 0.159 0.000 1.006 301 T HN 0.416 nan 8.240 nan 0.000 0.468 302 V N 2.990 122.975 119.914 0.118 0.000 2.287 302 V HA -0.064 4.056 4.120 -0.001 0.000 0.248 302 V C 1.331 177.479 176.094 0.090 0.000 1.053 302 V CA 1.592 63.948 62.300 0.093 0.000 1.027 302 V CB -0.369 31.499 31.823 0.075 0.000 0.646 302 V HN 0.698 nan 8.190 nan 0.000 0.447 303 K N 0.311 120.769 120.400 0.096 0.000 2.126 303 K HA 0.329 4.649 4.320 -0.001 0.000 0.257 303 K C 0.238 176.899 176.600 0.102 0.000 1.007 303 K CA -0.235 56.105 56.287 0.089 0.000 0.928 303 K CB 0.957 33.505 32.500 0.080 0.000 1.013 303 K HN 0.192 nan 8.250 nan 0.000 0.473 304 S N 1.337 117.081 115.700 0.074 0.000 2.572 304 S HA 0.017 4.487 4.470 -0.001 0.000 0.279 304 S C -0.038 174.581 174.600 0.032 0.000 1.341 304 S CA -0.553 57.685 58.200 0.063 0.000 1.043 304 S CB 0.050 63.276 63.200 0.044 0.000 0.887 304 S HN 0.437 nan 8.310 nan 0.000 0.516 305 F N 2.068 121.897 119.950 -0.200 0.000 2.635 305 F HA 0.291 4.818 4.527 -0.000 0.000 0.379 305 F C 1.437 177.094 175.800 -0.237 0.000 1.094 305 F CA 1.662 59.371 58.000 -0.484 0.000 1.300 305 F CB -0.116 38.516 39.000 -0.615 0.000 1.035 305 F HN 0.788 nan 8.300 nan 0.000 0.581 306 G N 2.761 110.981 108.800 -0.966 0.000 2.213 306 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.236 306 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.236 306 G C 0.301 175.035 174.900 -0.278 0.000 0.991 306 G CA 0.057 44.762 45.100 -0.659 0.000 0.629 306 G HN 0.876 nan 8.290 nan 0.000 0.517 307 T N 2.471 116.934 114.554 -0.151 0.000 2.761 307 T HA 0.550 4.900 4.350 -0.001 0.000 0.296 307 T C 0.907 175.590 174.700 -0.028 0.000 0.934 307 T CA 0.538 62.609 62.100 -0.047 0.000 1.091 307 T CB 1.347 70.221 68.868 0.010 0.000 0.896 307 T HN 1.099 nan 8.240 nan 0.000 0.515 308 S N 3.136 118.821 115.700 -0.025 0.000 2.634 308 S HA 0.771 5.240 4.470 -0.001 0.000 0.261 308 S C 0.735 175.336 174.600 0.002 0.000 1.271 308 S CA 0.129 58.318 58.200 -0.019 0.000 0.985 308 S CB 0.528 63.718 63.200 -0.016 0.000 0.968 308 S HN 1.456 nan 8.310 nan 0.000 0.568 309 G N 0.280 109.081 108.800 0.001 0.000 2.549 309 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.404 309 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.404 309 G C -1.205 173.701 174.900 0.010 0.000 1.292 309 G CA -0.661 44.444 45.100 0.008 0.000 0.935 309 G HN 0.891 nan 8.290 nan 0.000 0.512 310 E N 1.298 121.505 120.200 0.012 0.000 2.166 310 E HA 0.232 4.582 4.350 -0.001 0.000 0.279 310 E C 0.205 176.817 176.600 0.019 0.000 1.095 310 E CA -0.096 56.310 56.400 0.010 0.000 0.888 310 E CB 0.640 30.340 29.700 -0.000 0.000 1.041 310 E HN 0.363 nan 8.360 nan 0.000 0.414 311 Q N 2.412 122.236 119.800 0.040 0.000 2.230 311 Q HA 0.306 4.646 4.340 -0.001 0.000 0.248 311 Q C -0.205 175.840 176.000 0.076 0.000 0.915 311 Q CA -0.060 55.795 55.803 0.087 0.000 0.900 311 Q CB 1.773 30.574 28.738 0.105 0.000 1.229 311 Q HN 0.509 nan 8.270 nan 0.000 0.439 312 E N 1.053 121.304 120.200 0.086 0.000 2.343 312 E HA 0.365 4.715 4.350 -0.001 0.000 0.270 312 E C -0.699 175.974 176.600 0.122 0.000 0.895 312 E CA -0.756 55.652 56.400 0.013 0.000 0.767 312 E CB 2.551 32.250 29.700 -0.002 0.000 1.248 312 E HN 0.433 nan 8.360 nan 0.000 0.440 313 M N 2.092 121.735 119.600 0.073 0.000 2.245 313 M HA 0.029 4.508 4.480 -0.001 0.000 0.344 313 M C -0.628 175.734 176.300 0.103 0.000 1.170 313 M CA 0.474 55.851 55.300 0.128 0.000 1.135 313 M CB 0.502 33.123 32.600 0.034 0.000 1.574 313 M HN 0.373 nan 8.290 nan 0.000 0.452 314 D N 3.592 124.068 120.400 0.127 0.000 2.440 314 D HA 0.059 4.698 4.640 -0.001 0.000 0.239 314 D C -0.175 176.181 176.300 0.093 0.000 1.084 314 D CA -0.241 53.827 54.000 0.113 0.000 0.843 314 D CB 0.771 41.637 40.800 0.109 0.000 1.097 314 D HN 0.686 nan 8.370 nan 0.000 0.531 315 Y N 4.282 124.574 120.300 -0.014 0.000 2.263 315 Y HA -0.079 4.471 4.550 -0.000 0.000 0.292 315 Y C 1.830 177.696 175.900 -0.056 0.000 1.130 315 Y CA 1.432 59.501 58.100 -0.051 0.000 1.179 315 Y CB 0.290 38.726 38.460 -0.040 0.000 0.998 315 Y HN 0.414 nan 8.280 nan 0.000 0.532 316 E N 1.300 121.422 120.200 -0.130 0.000 2.085 316 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 316 E C 1.830 178.317 176.600 -0.189 0.000 0.994 316 E CA 1.744 58.029 56.400 -0.191 0.000 0.801 316 E CB -0.103 29.588 29.700 -0.015 0.000 0.743 316 E HN 0.594 nan 8.360 nan 0.000 0.453 317 K N 0.404 120.754 120.400 -0.083 0.000 2.057 317 K HA -0.057 4.263 4.320 -0.001 0.000 0.206 317 K C 2.390 178.913 176.600 -0.128 0.000 1.050 317 K CA 0.795 57.092 56.287 0.017 0.000 0.935 317 K CB -0.170 32.429 32.500 0.165 0.000 0.715 317 K HN 0.174 nan 8.250 nan 0.000 0.439 318 L N 0.845 121.805 121.223 -0.439 0.000 1.994 318 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 318 L C 2.262 178.722 176.870 -0.683 0.000 1.071 318 L CA 1.321 55.545 54.840 -1.028 0.000 0.745 318 L CB -0.169 41.484 42.059 -0.677 0.000 0.892 318 L HN 0.142 nan 8.230 nan 0.000 0.431 319 I N 0.541 120.756 120.570 -0.592 0.000 2.493 319 I HA -0.218 3.951 4.170 -0.001 0.000 0.254 319 I C 1.679 177.621 176.117 -0.290 0.000 1.160 319 I CA 1.197 62.212 61.300 -0.476 0.000 1.445 319 I CB -0.417 37.151 38.000 -0.720 0.000 1.086 319 I HN 0.316 nan 8.210 nan 0.000 0.433 320 N N 1.195 119.754 118.700 -0.235 0.000 2.268 320 N HA 0.051 4.791 4.740 -0.001 0.000 0.204 320 N C -0.470 175.026 175.510 -0.024 0.000 1.124 320 N CA 0.122 53.106 53.050 -0.110 0.000 0.838 320 N CB 0.034 38.476 38.487 -0.074 0.000 0.994 320 N HN 0.323 nan 8.380 nan 0.000 0.489 321 E N 0.452 120.643 120.200 -0.014 0.000 2.246 321 E HA -0.207 4.142 4.350 -0.001 0.000 0.211 321 E C -0.807 176.040 176.600 0.412 0.000 1.278 321 E CA 0.560 57.091 56.400 0.218 0.000 0.694 321 E CB -1.516 28.189 29.700 0.008 0.000 1.166 321 E HN 0.337 nan 8.360 nan 0.000 0.370 322 K N 0.529 121.168 120.400 0.398 0.000 2.762 322 K HA 0.260 4.579 4.320 -0.001 0.000 0.180 322 K C -2.568 174.097 176.600 0.108 0.000 1.067 322 K CA -1.750 54.675 56.287 0.230 0.000 0.973 322 K CB 1.247 33.829 32.500 0.137 0.000 1.290 322 K HN 0.002 nan 8.250 nan 0.000 0.604 323 P HA 0.067 nan 4.420 nan 0.000 0.274 323 P C 0.164 177.098 177.300 -0.610 0.000 1.237 323 P CA -0.155 62.383 63.100 -0.937 0.000 0.793 323 P CB 1.062 31.832 31.700 -1.550 0.000 0.977 324 E N 0.028 119.929 120.200 -0.497 0.000 2.290 324 E HA 0.062 4.411 4.350 -0.001 0.000 0.199 324 E C -0.099 176.324 176.600 -0.295 0.000 0.912 324 E CA 0.939 57.205 56.400 -0.225 0.000 0.924 324 E CB 0.045 29.750 29.700 0.008 0.000 0.901 324 E HN 0.491 nan 8.360 nan 0.000 0.487 325 Y N -0.479 119.627 120.300 -0.323 0.000 2.393 325 Y HA 0.404 4.954 4.550 -0.000 0.000 0.341 325 Y C -0.496 175.097 175.900 -0.510 0.000 0.988 325 Y CA -0.806 57.185 58.100 -0.181 0.000 1.078 325 Y CB 1.166 39.569 38.460 -0.095 0.000 1.203 325 Y HN -0.230 nan 8.280 nan 0.000 0.453 326 F N 3.774 123.612 119.950 -0.186 0.000 2.507 326 F HA 0.621 5.148 4.527 -0.000 0.000 0.325 326 F C -1.123 174.565 175.800 -0.187 0.000 1.116 326 F CA -0.824 57.023 58.000 -0.255 0.000 0.930 326 F CB 1.346 40.124 39.000 -0.370 0.000 1.146 326 F HN 0.135 nan 8.300 nan 0.000 0.447 327 L N 3.912 125.144 121.223 0.015 0.000 2.422 327 L HA 0.515 4.854 4.340 -0.001 0.000 0.264 327 L C -1.141 175.754 176.870 0.042 0.000 0.984 327 L CA -1.095 53.762 54.840 0.027 0.000 0.819 327 L CB 1.688 43.814 42.059 0.111 0.000 1.330 327 L HN 0.292 nan 8.230 nan 0.000 0.410 328 F N 2.297 122.352 119.950 0.174 0.000 2.421 328 F HA 0.390 4.916 4.527 -0.001 0.000 0.337 328 F C 0.954 176.837 175.800 0.139 0.000 1.105 328 F CA -0.936 57.173 58.000 0.183 0.000 1.049 328 F CB 0.769 39.882 39.000 0.189 0.000 1.139 328 F HN 0.544 nan 8.300 nan 0.000 0.479 329 N N 2.027 120.924 118.700 0.328 0.000 2.707 329 N HA -0.194 4.545 4.740 -0.001 0.000 0.253 329 N C 0.962 176.556 175.510 0.139 0.000 0.998 329 N CA 1.409 54.558 53.050 0.165 0.000 0.751 329 N CB -1.077 37.486 38.487 0.127 0.000 0.920 329 N HN 1.079 nan 8.380 nan 0.000 0.539 330 G N -3.077 105.817 108.800 0.156 0.000 2.234 330 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.235 330 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.235 330 G C 0.104 175.073 174.900 0.115 0.000 0.997 330 G CA 0.508 45.671 45.100 0.106 0.000 0.623 330 G HN 1.035 nan 8.290 nan 0.000 0.514 331 S N -1.748 114.016 115.700 0.106 0.000 2.588 331 S HA 0.579 5.049 4.470 -0.001 0.000 0.269 331 S C -0.295 174.360 174.600 0.092 0.000 1.157 331 S CA 0.128 58.378 58.200 0.082 0.000 0.824 331 S CB 1.772 64.980 63.200 0.013 0.000 1.126 331 S HN 1.059 nan 8.310 nan 0.000 0.464 332 V N 3.012 122.987 119.914 0.100 0.000 2.529 332 V HA 0.457 4.577 4.120 -0.001 0.000 0.292 332 V C 1.609 177.715 176.094 0.020 0.000 1.028 332 V CA 1.490 63.859 62.300 0.115 0.000 1.074 332 V CB 0.125 32.063 31.823 0.192 0.000 0.958 332 V HN 1.530 nan 8.190 nan 0.000 0.481 333 G N 3.928 112.720 108.800 -0.013 0.000 2.159 333 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.256 333 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.256 333 G C 1.202 176.040 174.900 -0.103 0.000 0.977 333 G CA 0.792 45.836 45.100 -0.094 0.000 0.652 333 G HN 0.877 nan 8.290 nan 0.000 0.531 334 S N -0.673 115.006 115.700 -0.035 0.000 2.365 334 S HA 0.026 4.495 4.470 -0.001 0.000 0.225 334 S C 2.061 176.641 174.600 -0.032 0.000 1.039 334 S CA 1.664 59.840 58.200 -0.040 0.000 1.033 334 S CB -0.176 63.093 63.200 0.114 0.000 0.887 334 S HN 0.620 nan 8.310 nan 0.000 0.447 335 L N 0.848 122.099 121.223 0.046 0.000 2.728 335 L HA 0.197 4.537 4.340 -0.001 0.000 0.238 335 L C 1.949 178.779 176.870 -0.066 0.000 1.143 335 L CA 0.560 55.443 54.840 0.071 0.000 0.937 335 L CB -0.009 42.119 42.059 0.115 0.000 1.225 335 L HN 0.487 nan 8.230 nan 0.000 0.507 336 T N -3.654 110.775 114.554 -0.208 0.000 3.111 336 T HA 0.077 4.427 4.350 -0.001 0.000 0.236 336 T C 1.931 176.602 174.700 -0.047 0.000 0.984 336 T CA -0.009 61.854 62.100 -0.395 0.000 1.195 336 T CB 0.175 68.581 68.868 -0.770 0.000 0.929 336 T HN 0.110 nan 8.240 nan 0.000 0.431 337 R N 0.669 121.107 120.500 -0.103 0.000 2.191 337 R HA 0.385 4.725 4.340 -0.001 0.000 0.196 337 R C 2.786 179.026 176.300 -0.100 0.000 0.991 337 R CA 0.706 56.765 56.100 -0.067 0.000 1.075 337 R CB 0.087 30.308 30.300 -0.131 0.000 1.040 337 R HN 0.272 nan 8.270 nan 0.000 0.526 338 S N 0.443 116.011 115.700 -0.220 0.000 2.335 338 S HA -0.039 4.431 4.470 -0.001 0.000 0.217 338 S C 0.468 174.844 174.600 -0.375 0.000 1.032 338 S CA 0.822 58.789 58.200 -0.389 0.000 0.985 338 S CB -0.076 62.718 63.200 -0.677 0.000 0.896 338 S HN 0.500 nan 8.310 nan 0.000 0.445 339 H N -0.538 118.578 119.070 0.076 0.000 3.093 339 H HA 0.338 4.894 4.556 -0.001 0.000 0.311 339 H C -3.527 171.886 175.328 0.142 0.000 1.294 339 H CA -1.845 54.278 56.048 0.124 0.000 1.628 339 H CB 0.385 30.224 29.762 0.127 0.000 1.874 339 H HN 0.169 nan 8.280 nan 0.000 0.574 340 P HA 0.065 nan 4.420 nan 0.000 0.272 340 P C 0.254 177.705 177.300 0.251 0.000 1.240 340 P CA -0.682 62.567 63.100 0.249 0.000 0.791 340 P CB 1.536 33.411 31.700 0.292 0.000 0.978 341 L N 1.633 122.895 121.223 0.065 0.000 2.426 341 L HA 0.207 4.546 4.340 -0.001 0.000 0.271 341 L C 0.387 177.296 176.870 0.065 0.000 1.169 341 L CA 0.356 55.068 54.840 -0.213 0.000 0.836 341 L CB -0.812 40.795 42.059 -0.752 0.000 1.112 341 L HN 0.417 nan 8.230 nan 0.000 0.465 342 Y N 0.692 121.063 120.300 0.118 0.000 2.534 342 Y HA 0.930 5.480 4.550 -0.001 0.000 0.345 342 Y C -0.632 175.436 175.900 0.280 0.000 1.031 342 Y CA -1.221 56.982 58.100 0.171 0.000 1.022 342 Y CB 1.386 39.941 38.460 0.158 0.000 1.292 342 Y HN 0.716 nan 8.280 nan 0.000 0.459 343 A N 1.147 124.163 122.820 0.327 0.000 2.567 343 A HA 0.888 5.207 4.320 -0.001 0.000 0.289 343 A C -1.355 176.367 177.584 0.229 0.000 1.177 343 A CA -0.903 51.283 52.037 0.249 0.000 0.694 343 A CB 1.302 20.418 19.000 0.193 0.000 1.292 343 A HN 0.758 nan 8.150 nan 0.000 0.425 344 S N -0.735 115.060 115.700 0.159 0.000 2.607 344 S HA 0.589 5.059 4.470 -0.001 0.000 0.303 344 S C -0.024 174.636 174.600 0.100 0.000 1.086 344 S CA -0.204 58.073 58.200 0.127 0.000 0.995 344 S CB 1.652 64.913 63.200 0.102 0.000 1.084 344 S HN 1.802 nan 8.310 nan 0.000 0.507 345 V N 2.043 122.013 119.914 0.094 0.000 2.763 345 V HA 0.508 4.628 4.120 -0.001 0.000 0.306 345 V C 1.150 177.278 176.094 0.057 0.000 1.059 345 V CA 1.410 63.760 62.300 0.082 0.000 1.138 345 V CB 0.029 31.902 31.823 0.084 0.000 0.940 345 V HN 1.421 nan 8.190 nan 0.000 0.489 346 G N 3.476 112.305 108.800 0.047 0.000 2.225 346 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.254 346 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.254 346 G C 0.117 175.027 174.900 0.018 0.000 0.988 346 G CA 0.408 45.528 45.100 0.032 0.000 0.625 346 G HN 0.961 nan 8.290 nan 0.000 0.527 347 E N 1.360 121.569 120.200 0.015 0.000 2.360 347 E HA 0.415 4.764 4.350 -0.001 0.000 0.269 347 E C -0.085 176.485 176.600 -0.049 0.000 1.022 347 E CA 0.281 56.674 56.400 -0.012 0.000 0.887 347 E CB 0.578 30.276 29.700 -0.005 0.000 0.990 347 E HN 0.174 nan 8.360 nan 0.000 0.426 348 T N 2.443 116.957 114.554 -0.066 0.000 2.743 348 T HA 0.308 4.657 4.350 -0.001 0.000 0.293 348 T C -0.058 174.534 174.700 -0.181 0.000 0.945 348 T CA -0.694 61.340 62.100 -0.110 0.000 1.030 348 T CB 0.557 69.393 68.868 -0.054 0.000 0.912 348 T HN 0.315 nan 8.240 nan 0.000 0.483 349 V N 2.025 121.734 119.914 -0.342 0.000 2.919 349 V HA 0.840 4.960 4.120 -0.001 0.000 0.316 349 V C -0.420 175.450 176.094 -0.374 0.000 1.077 349 V CA -1.497 60.604 62.300 -0.331 0.000 0.977 349 V CB 1.895 33.575 31.823 -0.239 0.000 1.039 349 V HN 0.831 nan 8.190 nan 0.000 0.441 350 R N 2.511 122.869 120.500 -0.236 0.000 2.534 350 R HA 0.766 5.106 4.340 -0.001 0.000 0.301 350 R C -1.441 174.798 176.300 -0.102 0.000 0.961 350 R CA -0.688 55.267 56.100 -0.241 0.000 0.871 350 R CB 1.742 31.806 30.300 -0.392 0.000 1.170 350 R HN 0.896 nan 8.270 nan 0.000 0.446 351 I N 4.995 125.553 120.570 -0.021 0.000 2.362 351 I HA 0.301 4.471 4.170 -0.001 0.000 0.289 351 I C -0.732 175.368 176.117 -0.027 0.000 0.994 351 I CA -0.766 60.608 61.300 0.122 0.000 1.158 351 I CB 1.430 39.602 38.000 0.287 0.000 1.315 351 I HN 0.542 nan 8.210 nan 0.000 0.451 352 F N 6.499 126.564 119.950 0.192 0.000 2.413 352 F HA 0.285 4.812 4.527 -0.001 0.000 0.359 352 F C -0.132 175.827 175.800 0.265 0.000 1.122 352 F CA -0.254 57.878 58.000 0.221 0.000 1.160 352 F CB 0.430 39.638 39.000 0.346 0.000 1.146 352 F HN 0.300 nan 8.300 nan 0.000 0.514 353 F N 3.133 123.164 119.950 0.135 0.000 2.477 353 F HA 0.773 5.300 4.527 -0.001 0.000 0.335 353 F C -0.164 175.639 175.800 0.005 0.000 1.130 353 F CA -0.839 57.114 58.000 -0.079 0.000 0.948 353 F CB 1.235 39.893 39.000 -0.569 0.000 1.154 353 F HN 0.433 nan 8.300 nan 0.000 0.439 354 G N 4.108 112.461 108.800 -0.744 0.000 2.519 354 G HA2 0.580 4.540 3.960 -0.001 0.000 0.307 354 G HA3 0.580 4.540 3.960 -0.001 0.000 0.307 354 G C -2.103 172.390 174.900 -0.677 0.000 1.266 354 G CA -0.865 43.930 45.100 -0.508 0.000 0.970 354 G HN 0.510 nan 8.290 nan 0.000 0.481 355 V N 1.946 121.630 119.914 -0.382 0.000 2.311 355 V HA 0.417 4.537 4.120 -0.001 0.000 0.275 355 V C 1.376 177.303 176.094 -0.278 0.000 1.022 355 V CA 0.329 62.462 62.300 -0.279 0.000 0.830 355 V CB 0.857 32.624 31.823 -0.092 0.000 1.012 355 V HN 0.977 nan 8.190 nan 0.000 0.452 356 G N 3.119 111.607 108.800 -0.521 0.000 2.404 356 G HA2 0.317 4.276 3.960 -0.001 0.000 0.215 356 G HA3 0.317 4.276 3.960 -0.001 0.000 0.215 356 G C 0.981 175.567 174.900 -0.523 0.000 1.174 356 G CA 1.191 45.787 45.100 -0.840 0.000 0.780 356 G HN 1.428 nan 8.290 nan 0.000 0.537 357 G N 0.284 108.842 108.800 -0.403 0.000 2.603 357 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.245 357 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.245 357 G C -1.189 173.665 174.900 -0.076 0.000 1.195 357 G CA 0.459 45.481 45.100 -0.129 0.000 0.953 357 G HN 0.344 nan 8.290 nan 0.000 0.566 358 P HA 0.072 nan 4.420 nan 0.000 0.229 358 P C 0.873 178.172 177.300 -0.002 0.000 1.160 358 P CA 1.476 64.567 63.100 -0.015 0.000 0.777 358 P CB 0.010 31.705 31.700 -0.007 0.000 0.814 359 N N -1.554 117.195 118.700 0.082 0.000 2.360 359 N HA 0.122 4.862 4.740 -0.001 0.000 0.211 359 N C -0.023 175.370 175.510 -0.195 0.000 1.147 359 N CA 0.138 53.147 53.050 -0.070 0.000 0.866 359 N CB 0.264 38.667 38.487 -0.140 0.000 1.206 359 N HN 0.114 nan 8.380 nan 0.000 0.478 360 F N 1.501 121.509 119.950 0.097 0.000 2.420 360 F HA 0.323 4.849 4.527 -0.001 0.000 0.342 360 F C 0.783 176.652 175.800 0.114 0.000 1.113 360 F CA -0.521 57.561 58.000 0.136 0.000 1.059 360 F CB 1.360 40.525 39.000 0.276 0.000 1.128 360 F HN -0.372 nan 8.300 nan 0.000 0.475 361 T N 2.113 116.803 114.554 0.227 0.000 2.870 361 T HA 0.114 4.464 4.350 -0.001 0.000 0.300 361 T C 0.096 174.941 174.700 0.243 0.000 0.989 361 T CA -0.155 62.061 62.100 0.194 0.000 1.139 361 T CB 0.883 69.830 68.868 0.132 0.000 0.920 361 T HN 0.546 nan 8.240 nan 0.000 0.537 362 S N 2.059 117.926 115.700 0.278 0.000 2.554 362 S HA 0.369 4.838 4.470 -0.001 0.000 0.278 362 S C 0.124 174.911 174.600 0.311 0.000 1.242 362 S CA -0.808 57.593 58.200 0.334 0.000 1.051 362 S CB 0.500 64.030 63.200 0.550 0.000 0.986 362 S HN 0.584 nan 8.310 nan 0.000 0.502 363 S N 4.480 120.339 115.700 0.265 0.000 2.790 363 S HA 0.311 4.781 4.470 -0.001 0.000 0.202 363 S C -0.682 174.095 174.600 0.296 0.000 1.383 363 S CA -0.488 57.857 58.200 0.242 0.000 1.026 363 S CB -0.490 62.809 63.200 0.165 0.000 1.253 363 S HN 0.632 nan 8.310 nan 0.000 0.489 364 F N 3.717 123.761 119.950 0.157 0.000 2.456 364 F HA 0.479 5.005 4.527 -0.001 0.000 0.358 364 F C 0.134 176.096 175.800 0.269 0.000 1.095 364 F CA -0.171 57.858 58.000 0.048 0.000 1.216 364 F CB 0.354 39.136 39.000 -0.363 0.000 1.125 364 F HN 0.560 nan 8.300 nan 0.000 0.549 365 H N 3.600 122.323 119.070 -0.578 0.000 3.038 365 H HA 0.584 5.139 4.556 -0.000 0.000 0.362 365 H C -1.965 172.987 175.328 -0.626 0.000 1.167 365 H CA -0.822 54.963 56.048 -0.438 0.000 1.197 365 H CB 1.656 31.340 29.762 -0.130 0.000 1.840 365 H HN 0.391 nan 8.280 nan 0.000 0.540 366 V N 6.611 125.775 119.914 -1.252 0.000 2.313 366 V HA 0.242 4.361 4.120 -0.001 0.000 0.278 366 V C 0.428 175.927 176.094 -0.992 0.000 1.017 366 V CA -0.619 61.147 62.300 -0.890 0.000 0.823 366 V CB 0.658 32.044 31.823 -0.728 0.000 1.010 366 V HN 0.680 nan 8.190 nan 0.000 0.443 367 I N 4.899 125.159 120.570 -0.518 0.000 2.741 367 I HA 0.253 4.423 4.170 -0.001 0.000 0.288 367 I C 1.502 177.588 176.117 -0.052 0.000 1.192 367 I CA 1.475 62.679 61.300 -0.160 0.000 1.426 367 I CB 0.177 38.189 38.000 0.019 0.000 1.367 367 I HN 0.918 nan 8.210 nan 0.000 0.563 368 G N 3.910 112.697 108.800 -0.021 0.000 2.195 368 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.246 368 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.246 368 G C 0.140 175.071 174.900 0.050 0.000 0.984 368 G CA -0.289 44.885 45.100 0.122 0.000 0.633 368 G HN 0.566 nan 8.290 nan 0.000 0.525 369 E N -0.769 119.258 120.200 -0.289 0.000 2.423 369 E HA 0.805 5.155 4.350 -0.001 0.000 0.269 369 E C -0.522 175.686 176.600 -0.655 0.000 0.948 369 E CA -0.664 55.420 56.400 -0.527 0.000 0.802 369 E CB 1.995 31.183 29.700 -0.853 0.000 1.339 369 E HN 0.280 nan 8.360 nan 0.000 0.445 370 I N 1.172 121.379 120.570 -0.605 0.000 2.569 370 I HA 0.295 4.464 4.170 -0.001 0.000 0.290 370 I C -0.572 175.302 176.117 -0.406 0.000 1.088 370 I CA -0.701 60.289 61.300 -0.516 0.000 1.047 370 I CB 1.553 39.406 38.000 -0.245 0.000 1.237 370 I HN 0.323 nan 8.210 nan 0.000 0.421 371 F N 4.466 124.289 119.950 -0.211 0.000 2.506 371 F HA 0.066 4.593 4.527 -0.001 0.000 0.371 371 F C 1.298 177.080 175.800 -0.031 0.000 1.078 371 F CA -0.406 57.555 58.000 -0.065 0.000 1.195 371 F CB 0.529 39.528 39.000 -0.002 0.000 1.099 371 F HN 0.546 nan 8.300 nan 0.000 0.548 372 D N 0.820 121.340 120.400 0.200 0.000 2.123 372 D HA -0.091 4.549 4.640 -0.001 0.000 0.200 372 D C 0.483 176.560 176.300 -0.372 0.000 0.976 372 D CA 1.579 55.530 54.000 -0.081 0.000 0.831 372 D CB 0.110 40.886 40.800 -0.042 0.000 0.974 372 D HN 0.451 nan 8.370 nan 0.000 0.469 373 H N -0.854 118.308 119.070 0.153 0.000 2.759 373 H HA 0.434 4.990 4.556 -0.000 0.000 0.354 373 H C -0.873 174.496 175.328 0.068 0.000 1.074 373 H CA -0.538 55.538 56.048 0.046 0.000 1.226 373 H CB 2.145 31.903 29.762 -0.007 0.000 1.648 373 H HN -0.283 nan 8.280 nan 0.000 0.529 374 V N 4.112 124.081 119.914 0.091 0.000 2.407 374 V HA 0.110 4.230 4.120 -0.001 0.000 0.291 374 V C -0.682 175.409 176.094 -0.005 0.000 1.018 374 V CA -0.792 61.556 62.300 0.080 0.000 0.842 374 V CB 1.034 32.908 31.823 0.085 0.000 0.996 374 V HN 0.613 nan 8.190 nan 0.000 0.426 375 Y N 2.766 123.094 120.300 0.047 0.000 2.573 375 Y HA 0.183 4.733 4.550 -0.000 0.000 0.346 375 Y C 1.403 177.329 175.900 0.043 0.000 1.198 375 Y CA -0.249 57.876 58.100 0.041 0.000 1.627 375 Y CB -0.122 38.352 38.460 0.024 0.000 1.457 375 Y HN 0.663 nan 8.280 nan 0.000 0.483 376 S N 4.070 119.828 115.700 0.097 0.000 2.626 376 S HA -0.025 4.444 4.470 -0.001 0.000 0.303 376 S C 0.934 175.595 174.600 0.101 0.000 1.256 376 S CA -0.218 58.037 58.200 0.091 0.000 1.069 376 S CB 0.098 63.334 63.200 0.059 0.000 0.807 376 S HN 0.820 nan 8.310 nan 0.000 0.500 377 L N 1.094 122.378 121.223 0.102 0.000 4.367 377 L HA -0.318 4.021 4.340 -0.001 0.000 0.424 377 L C 1.384 178.300 176.870 0.076 0.000 1.152 377 L CA 0.483 55.376 54.840 0.089 0.000 0.974 377 L CB -2.372 39.732 42.059 0.075 0.000 2.012 377 L HN 1.207 nan 8.230 nan 0.000 0.922 378 G N -0.666 108.190 108.800 0.093 0.000 2.159 378 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.256 378 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.256 378 G C 0.276 175.196 174.900 0.033 0.000 0.977 378 G CA 0.605 45.735 45.100 0.050 0.000 0.652 378 G HN 0.648 nan 8.290 nan 0.000 0.531 379 S N -0.674 115.081 115.700 0.091 0.000 2.516 379 S HA 0.408 4.877 4.470 -0.001 0.000 0.282 379 S C 1.426 176.144 174.600 0.197 0.000 1.286 379 S CA 0.346 58.604 58.200 0.098 0.000 1.066 379 S CB 1.369 64.625 63.200 0.094 0.000 0.884 379 S HN 0.740 nan 8.310 nan 0.000 0.491 380 V N 5.548 125.546 119.914 0.140 0.000 3.644 380 V HA 0.034 4.154 4.120 -0.001 0.000 0.267 380 V C 1.659 177.861 176.094 0.179 0.000 1.277 380 V CA 0.600 63.015 62.300 0.190 0.000 1.096 380 V CB 0.564 32.414 31.823 0.045 0.000 0.828 380 V HN 0.825 nan 8.190 nan 0.000 0.446 381 V N -0.963 119.024 119.914 0.123 0.000 2.379 381 V HA 0.016 4.136 4.120 -0.001 0.000 0.243 381 V C 1.276 177.416 176.094 0.078 0.000 1.035 381 V CA 0.763 63.118 62.300 0.091 0.000 1.035 381 V CB -0.147 31.719 31.823 0.073 0.000 0.673 381 V HN 0.447 nan 8.190 nan 0.000 0.457 382 S N 0.873 116.616 115.700 0.072 0.000 2.579 382 S HA 0.244 4.714 4.470 -0.001 0.000 0.275 382 S C -2.189 172.416 174.600 0.009 0.000 1.345 382 S CA -0.524 57.700 58.200 0.040 0.000 1.031 382 S CB 0.473 63.694 63.200 0.036 0.000 0.892 382 S HN 0.263 nan 8.310 nan 0.000 0.529 383 P HA 0.185 nan 4.420 nan 0.000 0.267 383 P C -2.204 175.019 177.300 -0.128 0.000 1.205 383 P CA -0.910 62.153 63.100 -0.061 0.000 0.765 383 P CB -0.254 31.431 31.700 -0.026 0.000 0.828 384 P HA 0.080 nan 4.420 nan 0.000 0.272 384 P C -0.242 176.998 177.300 -0.099 0.000 1.230 384 P CA 0.006 62.893 63.100 -0.356 0.000 0.788 384 P CB 0.756 31.994 31.700 -0.769 0.000 0.949 385 L N 1.510 122.696 121.223 -0.062 0.000 2.464 385 L HA 0.301 4.641 4.340 -0.001 0.000 0.264 385 L C 0.719 177.588 176.870 -0.003 0.000 1.199 385 L CA -0.347 54.488 54.840 -0.009 0.000 0.818 385 L CB 0.016 42.083 42.059 0.013 0.000 1.102 385 L HN 0.261 nan 8.230 nan 0.000 0.473 386 I N 0.823 121.380 120.570 -0.021 0.000 2.436 386 I HA 0.382 4.551 4.170 -0.001 0.000 0.289 386 I C 0.406 176.484 176.117 -0.064 0.000 1.010 386 I CA -0.460 60.785 61.300 -0.092 0.000 1.098 386 I CB 1.778 39.727 38.000 -0.086 0.000 1.266 386 I HN 0.751 nan 8.210 nan 0.000 0.434 387 G N 4.699 113.454 108.800 -0.075 0.000 2.462 387 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.283 387 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.283 387 G C -0.789 174.106 174.900 -0.009 0.000 1.043 387 G CA -0.538 44.536 45.100 -0.043 0.000 1.300 387 G HN 0.439 nan 8.290 nan 0.000 0.518 388 V N 2.669 122.608 119.914 0.042 0.000 2.588 388 V HA 0.452 4.572 4.120 -0.001 0.000 0.304 388 V C 1.256 177.363 176.094 0.022 0.000 1.042 388 V CA 0.065 62.414 62.300 0.081 0.000 0.877 388 V CB 1.834 33.765 31.823 0.180 0.000 0.996 388 V HN 0.792 nan 8.190 nan 0.000 0.425 389 Q N 2.515 122.294 119.800 -0.035 0.000 2.163 389 Q HA 0.105 4.444 4.340 -0.001 0.000 0.198 389 Q C 0.056 176.024 176.000 -0.052 0.000 0.954 389 Q CA 0.838 56.562 55.803 -0.133 0.000 0.851 389 Q CB 0.500 29.185 28.738 -0.089 0.000 0.928 389 Q HN 0.619 nan 8.270 nan 0.000 0.459 390 T N 1.017 115.640 114.554 0.115 0.000 3.032 390 T HA 0.430 4.780 4.350 -0.001 0.000 0.312 390 T C -1.833 173.033 174.700 0.277 0.000 1.078 390 T CA -0.631 61.596 62.100 0.211 0.000 1.028 390 T CB 2.317 71.193 68.868 0.014 0.000 1.091 390 T HN 0.143 nan 8.240 nan 0.000 0.457 391 V N 2.978 123.116 119.914 0.373 0.000 2.448 391 V HA 0.735 4.855 4.120 -0.001 0.000 0.295 391 V C -0.020 176.235 176.094 0.269 0.000 1.025 391 V CA -0.444 62.027 62.300 0.284 0.000 0.859 391 V CB 1.782 33.755 31.823 0.249 0.000 0.988 391 V HN 0.918 nan 8.190 nan 0.000 0.431 392 S N 5.515 121.336 115.700 0.201 0.000 2.481 392 S HA 0.540 5.010 4.470 -0.001 0.000 0.276 392 S C -0.590 174.134 174.600 0.207 0.000 1.247 392 S CA -0.359 57.956 58.200 0.192 0.000 1.053 392 S CB 0.457 63.737 63.200 0.133 0.000 0.925 392 S HN 0.787 nan 8.310 nan 0.000 0.491 393 V N 9.088 129.154 119.914 0.253 0.000 2.376 393 V HA 0.462 4.582 4.120 -0.001 0.000 0.287 393 V C -2.068 174.134 176.094 0.180 0.000 1.015 393 V CA -1.793 60.651 62.300 0.239 0.000 0.834 393 V CB 1.517 33.554 31.823 0.356 0.000 1.001 393 V HN 0.736 nan 8.190 nan 0.000 0.428 394 P HA 0.320 nan 4.420 nan 0.000 0.276 394 P C -2.763 174.582 177.300 0.075 0.000 1.252 394 P CA -2.057 61.101 63.100 0.097 0.000 0.802 394 P CB 0.145 31.891 31.700 0.078 0.000 1.035 395 P HA -0.006 nan 4.420 nan 0.000 0.268 395 P C 0.857 178.180 177.300 0.038 0.000 1.205 395 P CA 1.032 64.140 63.100 0.014 0.000 0.771 395 P CB -0.162 31.535 31.700 -0.005 0.000 0.858 396 G N 1.182 110.002 108.800 0.033 0.000 2.153 396 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.252 396 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.252 396 G C 0.383 175.428 174.900 0.242 0.000 0.994 396 G CA -0.066 45.147 45.100 0.188 0.000 0.698 396 G HN 0.939 nan 8.290 nan 0.000 0.521 397 G N -1.390 107.479 108.800 0.115 0.000 2.569 397 G HA2 1.024 4.983 3.960 -0.001 0.000 0.300 397 G HA3 1.024 4.983 3.960 -0.001 0.000 0.300 397 G C -0.446 174.480 174.900 0.045 0.000 1.269 397 G CA 0.174 45.342 45.100 0.113 0.000 0.959 397 G HN 1.598 nan 8.290 nan 0.000 0.478 398 A N -0.471 122.380 122.820 0.052 0.000 2.566 398 A HA 0.937 5.257 4.320 -0.001 0.000 0.292 398 A C -0.498 177.134 177.584 0.080 0.000 1.112 398 A CA -0.404 51.650 52.037 0.028 0.000 0.707 398 A CB 1.956 20.968 19.000 0.020 0.000 1.302 398 A HN 1.276 nan 8.150 nan 0.000 0.409 399 T N -0.443 114.183 114.554 0.121 0.000 2.787 399 T HA 0.696 5.045 4.350 -0.001 0.000 0.297 399 T C -1.675 173.108 174.700 0.138 0.000 1.221 399 T CA -0.321 61.865 62.100 0.145 0.000 1.006 399 T CB 0.829 69.799 68.868 0.168 0.000 1.328 399 T HN 0.604 nan 8.240 nan 0.000 0.509 400 I N 2.433 123.072 120.570 0.115 0.000 2.498 400 I HA 0.596 4.765 4.170 -0.001 0.000 0.290 400 I C -0.521 175.652 176.117 0.094 0.000 1.032 400 I CA -1.160 60.130 61.300 -0.017 0.000 1.073 400 I CB 2.099 39.905 38.000 -0.323 0.000 1.251 400 I HN 0.484 nan 8.210 nan 0.000 0.426 401 V N 1.271 121.177 119.914 -0.014 0.000 2.680 401 V HA 0.713 4.833 4.120 -0.001 0.000 0.309 401 V C -1.225 174.949 176.094 0.133 0.000 1.052 401 V CA -0.439 61.856 62.300 -0.008 0.000 0.908 401 V CB 2.091 33.584 31.823 -0.550 0.000 1.001 401 V HN 0.541 nan 8.190 nan 0.000 0.431 402 D N 4.024 124.588 120.400 0.274 0.000 2.481 402 D HA 0.805 5.445 4.640 -0.001 0.000 0.244 402 D C -0.794 175.744 176.300 0.397 0.000 1.057 402 D CA 0.194 54.320 54.000 0.209 0.000 0.848 402 D CB 2.118 43.050 40.800 0.220 0.000 1.388 402 D HN 0.756 nan 8.370 nan 0.000 0.475 403 F N -1.388 118.637 119.950 0.125 0.000 2.654 403 F HA 0.508 5.035 4.527 -0.000 0.000 0.308 403 F C -0.520 175.301 175.800 0.036 0.000 1.108 403 F CA -1.415 56.635 58.000 0.083 0.000 0.957 403 F CB 1.523 40.568 39.000 0.075 0.000 1.309 403 F HN -0.043 nan 8.300 nan 0.000 0.446 404 K N 2.556 123.042 120.400 0.144 0.000 2.205 404 K HA 0.592 4.912 4.320 -0.001 0.000 0.279 404 K C -1.034 175.623 176.600 0.094 0.000 1.027 404 K CA -0.433 55.885 56.287 0.052 0.000 0.932 404 K CB 0.823 33.355 32.500 0.052 0.000 1.032 404 K HN 0.776 nan 8.250 nan 0.000 0.466 405 I N 5.234 125.822 120.570 0.031 0.000 2.291 405 I HA 0.022 4.192 4.170 -0.001 0.000 0.292 405 I C 0.484 176.623 176.117 0.037 0.000 1.064 405 I CA -0.351 60.962 61.300 0.023 0.000 1.269 405 I CB 1.054 39.056 38.000 0.002 0.000 1.418 405 I HN 0.767 nan 8.210 nan 0.000 0.485 406 D N 6.259 126.682 120.400 0.038 0.000 2.194 406 D HA -0.037 4.603 4.640 -0.001 0.000 0.204 406 D C 0.782 177.127 176.300 0.075 0.000 0.964 406 D CA 1.032 55.063 54.000 0.052 0.000 0.846 406 D CB 0.387 41.213 40.800 0.044 0.000 0.962 406 D HN 0.610 nan 8.370 nan 0.000 0.490 407 R N -0.781 119.789 120.500 0.116 0.000 2.752 407 R HA 0.652 4.992 4.340 -0.001 0.000 0.271 407 R C -1.168 175.262 176.300 0.217 0.000 1.026 407 R CA -0.920 55.263 56.100 0.139 0.000 0.901 407 R CB 1.050 31.420 30.300 0.118 0.000 1.243 407 R HN -0.153 nan 8.270 nan 0.000 0.463 408 A N 0.194 123.105 122.820 0.150 0.000 2.327 408 A HA 0.782 5.102 4.320 -0.001 0.000 0.255 408 A C 0.481 178.100 177.584 0.059 0.000 1.099 408 A CA 0.297 52.414 52.037 0.134 0.000 0.801 408 A CB -0.107 18.931 19.000 0.065 0.000 1.062 408 A HN 1.393 nan 8.150 nan 0.000 0.496 409 G N -0.854 107.909 108.800 -0.062 0.000 2.353 409 G HA2 0.397 4.356 3.960 -0.001 0.000 0.308 409 G HA3 0.397 4.356 3.960 -0.001 0.000 0.308 409 G C -0.813 173.806 174.900 -0.468 0.000 1.418 409 G CA -0.419 44.461 45.100 -0.368 0.000 0.966 409 G HN 1.116 nan 8.290 nan 0.000 0.638 410 R N 0.448 120.642 120.500 -0.511 0.000 2.204 410 R HA 0.622 4.961 4.340 -0.001 0.000 0.341 410 R C -0.864 175.131 176.300 -0.507 0.000 1.035 410 R CA -0.595 55.256 56.100 -0.416 0.000 0.887 410 R CB -0.044 29.996 30.300 -0.433 0.000 1.114 410 R HN 0.474 nan 8.270 nan 0.000 0.473 411 Y N 4.220 124.492 120.300 -0.047 0.000 2.307 411 Y HA 0.363 4.913 4.550 -0.001 0.000 0.324 411 Y C 0.438 176.346 175.900 0.012 0.000 1.238 411 Y CA -0.611 57.461 58.100 -0.046 0.000 1.280 411 Y CB 1.211 39.648 38.460 -0.039 0.000 1.248 411 Y HN 0.374 nan 8.280 nan 0.000 0.508 412 I N 3.910 124.553 120.570 0.122 0.000 2.439 412 I HA 0.197 4.367 4.170 -0.001 0.000 0.285 412 I C -1.344 174.795 176.117 0.037 0.000 1.021 412 I CA -0.803 60.593 61.300 0.161 0.000 1.091 412 I CB 1.194 39.294 38.000 0.167 0.000 1.242 412 I HN 0.260 nan 8.210 nan 0.000 0.439 413 L N 7.696 128.948 121.223 0.047 0.000 2.360 413 L HA 0.463 4.803 4.340 -0.001 0.000 0.276 413 L C 0.168 177.145 176.870 0.178 0.000 1.121 413 L CA 0.014 54.817 54.840 -0.061 0.000 0.845 413 L CB 1.095 43.076 42.059 -0.131 0.000 1.143 413 L HN 0.450 nan 8.230 nan 0.000 0.452 414 V N -0.834 119.147 119.914 0.111 0.000 3.078 414 V HA 0.629 4.749 4.120 -0.001 0.000 0.311 414 V C -0.878 175.384 176.094 0.280 0.000 1.138 414 V CA -0.975 61.465 62.300 0.233 0.000 1.007 414 V CB 2.170 34.009 31.823 0.027 0.000 1.045 414 V HN 0.610 nan 8.190 nan 0.000 0.432 415 D N 0.865 121.391 120.400 0.210 0.000 2.316 415 D HA 0.213 4.853 4.640 -0.001 0.000 0.245 415 D C 0.676 176.985 176.300 0.016 0.000 1.171 415 D CA 0.108 54.193 54.000 0.142 0.000 0.856 415 D CB 0.751 41.553 40.800 0.004 0.000 1.090 415 D HN 0.786 nan 8.370 nan 0.000 0.476 416 H N 2.898 121.972 119.070 0.007 0.000 2.562 416 H HA 0.076 4.632 4.556 -0.000 0.000 0.272 416 H C -0.228 175.048 175.328 -0.087 0.000 1.019 416 H CA 0.316 56.328 56.048 -0.060 0.000 1.160 416 H CB 0.143 29.843 29.762 -0.104 0.000 1.334 416 H HN 0.428 nan 8.280 nan 0.000 0.611 417 A N 1.447 124.260 122.820 -0.012 0.000 2.666 417 A HA 0.095 4.415 4.320 -0.001 0.000 0.301 417 A C 0.997 178.463 177.584 -0.197 0.000 1.470 417 A CA -0.277 51.705 52.037 -0.092 0.000 1.159 417 A CB -0.376 18.539 19.000 -0.142 0.000 1.116 417 A HN 0.228 nan 8.150 nan 0.000 0.548 418 L N 1.922 123.045 121.223 -0.167 0.000 2.478 418 L HA 0.009 4.349 4.340 -0.001 0.000 0.223 418 L C 2.326 179.073 176.870 -0.205 0.000 1.140 418 L CA 1.403 56.108 54.840 -0.224 0.000 0.842 418 L CB -0.945 40.966 42.059 -0.246 0.000 0.953 418 L HN 0.614 nan 8.230 nan 0.000 0.452 419 S N -0.480 115.112 115.700 -0.180 0.000 2.440 419 S HA -0.178 4.292 4.470 -0.001 0.000 0.238 419 S C 1.976 176.468 174.600 -0.180 0.000 1.010 419 S CA 0.931 59.037 58.200 -0.157 0.000 0.972 419 S CB -0.183 62.953 63.200 -0.106 0.000 0.774 419 S HN 0.453 nan 8.310 nan 0.000 0.501 420 R N 0.631 120.940 120.500 -0.318 0.000 2.189 420 R HA 0.115 4.455 4.340 -0.001 0.000 0.223 420 R C 1.951 178.065 176.300 -0.310 0.000 1.092 420 R CA 0.529 56.369 56.100 -0.434 0.000 0.989 420 R CB -0.389 29.383 30.300 -0.880 0.000 0.876 420 R HN 0.365 nan 8.270 nan 0.000 0.457 421 L N 0.907 121.969 121.223 -0.267 0.000 2.081 421 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 421 L C 1.505 178.212 176.870 -0.272 0.000 1.080 421 L CA 1.561 56.267 54.840 -0.223 0.000 0.754 421 L CB -0.252 41.699 42.059 -0.180 0.000 0.893 421 L HN 0.279 nan 8.230 nan 0.000 0.433 422 E N -1.761 118.230 120.200 -0.349 0.000 2.465 422 E HA -0.022 4.327 4.350 -0.001 0.000 0.191 422 E C 0.747 176.708 176.600 -1.064 0.000 1.053 422 E CA -0.002 56.108 56.400 -0.484 0.000 0.869 422 E CB 0.226 29.699 29.700 -0.379 0.000 0.977 422 E HN 0.520 nan 8.360 nan 0.000 0.483 423 H N -0.702 117.791 119.070 -0.963 0.000 2.528 423 H HA 0.203 4.759 4.556 -0.001 0.000 0.282 423 H C 1.082 175.821 175.328 -0.981 0.000 1.097 423 H CA 0.621 55.775 56.048 -1.490 0.000 1.121 423 H CB 1.334 30.732 29.762 -0.606 0.000 1.590 423 H HN 0.350 nan 8.280 nan 0.000 0.553 424 G N 0.911 109.436 108.800 -0.459 0.000 2.201 424 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.212 424 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.212 424 G C 0.184 175.047 174.900 -0.062 0.000 0.994 424 G CA -0.342 44.759 45.100 0.001 0.000 0.644 424 G HN 0.330 nan 8.290 nan 0.000 0.508 425 L N 1.597 122.715 121.223 -0.176 0.000 2.352 425 L HA 0.722 5.062 4.340 -0.001 0.000 0.272 425 L C -0.359 176.392 176.870 -0.200 0.000 1.109 425 L CA -0.545 54.103 54.840 -0.320 0.000 0.952 425 L CB 0.974 42.785 42.059 -0.413 0.000 1.314 425 L HN 0.161 nan 8.230 nan 0.000 0.427 426 V N 2.822 122.723 119.914 -0.021 0.000 3.000 426 V HA 0.869 4.989 4.120 -0.001 0.000 0.300 426 V C -0.635 175.577 176.094 0.196 0.000 1.251 426 V CA -0.168 62.211 62.300 0.132 0.000 0.972 426 V CB 2.301 34.112 31.823 -0.019 0.000 1.065 426 V HN 0.602 nan 8.190 nan 0.000 0.431 427 G N 4.094 113.012 108.800 0.198 0.000 2.619 427 G HA2 0.784 4.743 3.960 -0.001 0.000 0.296 427 G HA3 0.784 4.743 3.960 -0.001 0.000 0.296 427 G C -1.715 173.227 174.900 0.070 0.000 1.334 427 G CA -0.661 44.461 45.100 0.037 0.000 0.934 427 G HN 0.648 nan 8.290 nan 0.000 0.476 428 F N -0.080 119.908 119.950 0.064 0.000 2.532 428 F HA 0.579 5.106 4.527 -0.001 0.000 0.321 428 F C -0.389 175.424 175.800 0.022 0.000 1.089 428 F CA -1.156 56.871 58.000 0.045 0.000 0.926 428 F CB 2.749 41.782 39.000 0.055 0.000 1.168 428 F HN 0.355 nan 8.300 nan 0.000 0.459 429 L N 4.131 125.499 121.223 0.242 0.000 2.342 429 L HA 0.498 4.838 4.340 -0.001 0.000 0.276 429 L C -1.282 175.715 176.870 0.212 0.000 0.997 429 L CA -0.593 54.334 54.840 0.146 0.000 0.838 429 L CB 0.874 42.996 42.059 0.105 0.000 1.224 429 L HN 0.399 nan 8.230 nan 0.000 0.416 430 N N 4.635 123.459 118.700 0.206 0.000 2.426 430 N HA 0.421 5.160 4.740 -0.001 0.000 0.257 430 N C -1.152 174.483 175.510 0.209 0.000 1.002 430 N CA -0.190 52.958 53.050 0.164 0.000 0.942 430 N CB 2.133 40.712 38.487 0.154 0.000 1.112 430 N HN 0.416 nan 8.380 nan 0.000 0.499 431 V N 1.886 121.910 119.914 0.183 0.000 2.376 431 V HA 0.157 4.276 4.120 -0.001 0.000 0.287 431 V C 0.063 176.228 176.094 0.118 0.000 1.015 431 V CA -0.936 61.486 62.300 0.203 0.000 0.834 431 V CB 1.556 33.564 31.823 0.309 0.000 1.001 431 V HN 0.487 nan 8.190 nan 0.000 0.428 432 D N 3.081 123.541 120.400 0.101 0.000 2.372 432 D HA 0.632 5.271 4.640 -0.001 0.000 0.243 432 D C 0.492 176.825 176.300 0.054 0.000 1.121 432 D CA 1.685 55.719 54.000 0.057 0.000 0.898 432 D CB 1.358 42.188 40.800 0.050 0.000 1.202 432 D HN 0.942 nan 8.370 nan 0.000 0.428 433 G N 1.921 110.740 108.800 0.031 0.000 2.350 433 G HA2 0.195 4.155 3.960 -0.001 0.000 0.282 433 G HA3 0.195 4.155 3.960 -0.001 0.000 0.282 433 G C -2.718 172.192 174.900 0.017 0.000 1.314 433 G CA -0.981 44.137 45.100 0.030 0.000 0.915 433 G HN 0.524 nan 8.290 nan 0.000 0.499 434 P HA 0.390 nan 4.420 nan 0.000 0.278 434 P C 0.642 177.947 177.300 0.008 0.000 1.238 434 P CA -0.453 62.654 63.100 0.010 0.000 0.794 434 P CB 1.667 33.374 31.700 0.012 0.000 0.955 435 K N 1.985 122.385 120.400 -0.000 0.000 2.057 435 K HA -0.036 4.284 4.320 -0.001 0.000 0.206 435 K C 0.282 176.893 176.600 0.018 0.000 1.050 435 K CA 1.057 57.341 56.287 -0.005 0.000 0.935 435 K CB 0.024 32.515 32.500 -0.014 0.000 0.715 435 K HN 0.340 nan 8.250 nan 0.000 0.439 436 N N 1.847 120.565 118.700 0.029 0.000 2.419 436 N HA 0.119 4.859 4.740 -0.001 0.000 0.277 436 N C -1.302 174.238 175.510 0.050 0.000 1.006 436 N CA -0.330 52.757 53.050 0.062 0.000 0.923 436 N CB 1.728 40.245 38.487 0.049 0.000 1.140 436 N HN 0.395 nan 8.380 nan 0.000 0.488 437 D N -1.782 118.673 120.400 0.092 0.000 2.825 437 D HA 0.142 4.782 4.640 -0.001 0.000 0.327 437 D C 0.581 176.963 176.300 0.136 0.000 1.277 437 D CA -0.554 53.487 54.000 0.068 0.000 0.950 437 D CB -0.077 40.757 40.800 0.056 0.000 1.438 437 D HN 0.205 nan 8.370 nan 0.000 0.526 438 S N -0.756 115.003 115.700 0.098 0.000 2.453 438 S HA -0.040 4.430 4.470 -0.001 0.000 0.231 438 S C 1.848 176.527 174.600 0.132 0.000 1.005 438 S CA 0.500 58.779 58.200 0.132 0.000 0.949 438 S CB -0.695 62.544 63.200 0.066 0.000 0.774 438 S HN 0.503 nan 8.310 nan 0.000 0.510 439 I N 0.285 120.912 120.570 0.095 0.000 2.500 439 I HA 0.241 4.411 4.170 -0.001 0.000 0.252 439 I C 1.074 177.217 176.117 0.043 0.000 1.142 439 I CA 0.753 62.090 61.300 0.062 0.000 1.451 439 I CB 0.103 38.136 38.000 0.055 0.000 1.093 439 I HN 0.383 nan 8.210 nan 0.000 0.430 440 M N 0.174 119.811 119.600 0.063 0.000 2.333 440 M HA 0.264 4.744 4.480 -0.001 0.000 0.286 440 M C -1.982 174.359 176.300 0.068 0.000 1.113 440 M CA -0.495 54.805 55.300 -0.000 0.000 0.959 440 M CB 1.499 34.096 32.600 -0.006 0.000 1.776 440 M HN 0.215 nan 8.290 nan 0.000 0.492 441 H N 1.063 120.130 119.070 -0.004 0.000 3.064 441 H HA 0.492 5.048 4.556 -0.000 0.000 0.352 441 H C -1.596 173.727 175.328 -0.009 0.000 1.260 441 H CA -1.006 55.038 56.048 -0.007 0.000 1.160 441 H CB 0.768 30.528 29.762 -0.003 0.000 1.879 441 H HN 0.653 nan 8.280 nan 0.000 0.544 442 E N 1.787 122.062 120.200 0.126 0.000 2.413 442 E HA 0.385 4.734 4.350 -0.001 0.000 0.263 442 E C 0.385 177.079 176.600 0.155 0.000 1.015 442 E CA 0.013 56.459 56.400 0.078 0.000 0.916 442 E CB 0.470 30.205 29.700 0.059 0.000 0.947 442 E HN 1.279 nan 8.360 nan 0.000 0.440 443 G N 2.669 111.506 108.800 0.063 0.000 2.757 443 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.638 443 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.638 443 G C -2.419 172.525 174.900 0.073 0.000 1.344 443 G CA -0.463 44.683 45.100 0.077 0.000 0.855 443 G HN 0.721 nan 8.290 nan 0.000 0.537 444 P HA 0.545 nan 4.420 nan 0.000 0.272 444 P C 0.615 178.001 177.300 0.143 0.000 1.240 444 P CA 0.481 63.617 63.100 0.061 0.000 0.791 444 P CB 0.571 32.296 31.700 0.043 0.000 0.978 445 A N 0.000 122.877 122.820 0.095 0.000 2.254 445 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 445 A CA 0.000 52.118 52.037 0.135 0.000 0.836 445 A CB 0.000 19.038 19.000 0.063 0.000 0.831 445 A HN 0.000 nan 8.150 nan 0.000 0.486