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 2r5j_1_A DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVT RTNIYYHAGS SRLLAVGHPY YAIKKQDSNK IAVPKVSGLQ DATA SEQUENCE YRVFRVKLPD PNKFGFPDTS FYDPASQRLV WACTGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENSNKYVGNS GTDNRECISM DYKQTQLCLI GCRPPIGEHW DATA SEQUENCE GKGTPSNANQ VKAGECPPLE LLNTVLQDGD MVDTGFGAMD FTTLQANKSD DATA SEQUENCE VPLDICSSIC KYPDYLKMVS EPYGDMLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE TVPADLYIKG TTGTLPSTSY FPTPSGSMVT SDAQIFNKPY WLQRAQGHNN DATA SEQUENCE GICWSNQLFV TVVDTTRSTN MSVCSAVSSS DSTYKNDNFK EYLRHGEEYD DATA SEQUENCE LQFIFQLCKI TLTADVMTYI HSMNPSILED WNXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX PLKNYTFWEV DLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.602 177.584 0.029 0.000 1.274 20 A CA 0.000 52.040 52.037 0.004 0.000 0.836 20 A CB 0.000 19.009 19.000 0.014 0.000 0.831 21 V N 1.724 121.577 119.914 -0.102 0.000 2.924 21 V HA 0.506 4.626 4.120 -0.000 0.000 0.305 21 V C 0.217 176.181 176.094 -0.216 0.000 1.073 21 V CA 0.078 62.271 62.300 -0.178 0.000 1.098 21 V CB 1.474 32.936 31.823 -0.602 0.000 1.000 21 V HN 0.874 nan 8.190 nan 0.000 0.484 22 V N 2.835 122.752 119.914 0.005 0.000 2.851 22 V HA 0.297 4.417 4.120 -0.000 0.000 0.307 22 V C -0.048 176.244 176.094 0.332 0.000 1.129 22 V CA -0.591 61.770 62.300 0.101 0.000 0.932 22 V CB 2.382 34.213 31.823 0.013 0.000 1.024 22 V HN 0.947 nan 8.190 nan 0.000 0.426 23 S N 2.337 118.285 115.700 0.413 0.000 2.563 23 S HA -0.021 4.449 4.470 -0.000 0.000 0.294 23 S C 1.689 176.390 174.600 0.167 0.000 1.279 23 S CA 0.589 59.001 58.200 0.353 0.000 1.069 23 S CB 0.892 64.231 63.200 0.232 0.000 0.828 23 S HN 1.316 nan 8.310 nan 0.000 0.497 24 T N 1.699 116.288 114.554 0.059 0.000 2.946 24 T HA -0.124 4.226 4.350 -0.000 0.000 0.271 24 T C 0.938 175.411 174.700 -0.377 0.000 1.104 24 T CA 1.483 63.330 62.100 -0.423 0.000 1.114 24 T CB -0.486 68.270 68.868 -0.187 0.000 0.867 24 T HN 0.687 nan 8.240 nan 0.000 0.513 25 D N 1.299 121.634 120.400 -0.108 0.000 2.311 25 D HA -0.065 4.575 4.640 -0.000 0.000 0.212 25 D C 2.068 178.347 176.300 -0.035 0.000 0.972 25 D CA 0.728 54.694 54.000 -0.056 0.000 0.887 25 D CB -0.176 40.626 40.800 0.004 0.000 0.915 25 D HN 0.454 nan 8.370 nan 0.000 0.497 26 E N -0.377 119.814 120.200 -0.016 0.000 2.299 26 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 26 E C 1.040 177.738 176.600 0.163 0.000 0.998 26 E CA 0.439 56.886 56.400 0.079 0.000 0.851 26 E CB 0.093 29.870 29.700 0.129 0.000 0.795 26 E HN 0.635 nan 8.360 nan 0.000 0.492 27 Y N -3.292 117.060 120.300 0.088 0.000 2.767 27 Y HA 0.493 5.043 4.550 -0.000 0.000 0.254 27 Y C -0.111 175.881 175.900 0.153 0.000 1.133 27 Y CA -0.536 57.629 58.100 0.109 0.000 1.225 27 Y CB 0.377 38.907 38.460 0.117 0.000 1.312 27 Y HN -0.304 nan 8.280 nan 0.000 0.560 28 V N 1.861 121.776 119.914 0.001 0.000 2.419 28 V HA 0.325 4.444 4.120 -0.000 0.000 0.287 28 V C -0.109 175.983 176.094 -0.003 0.000 1.017 28 V CA -0.473 61.844 62.300 0.030 0.000 0.844 28 V CB 1.525 33.306 31.823 -0.070 0.000 1.011 28 V HN 0.371 nan 8.190 nan 0.000 0.429 29 T N 5.908 120.474 114.554 0.019 0.000 2.913 29 T HA 0.401 4.751 4.350 -0.000 0.000 0.297 29 T C 0.190 174.866 174.700 -0.039 0.000 1.029 29 T CA -0.390 61.707 62.100 -0.005 0.000 1.104 29 T CB 0.466 69.340 68.868 0.010 0.000 0.964 29 T HN 0.419 nan 8.240 nan 0.000 0.532 30 R N 2.022 122.497 120.500 -0.043 0.000 2.474 30 R HA 0.532 4.871 4.340 -0.000 0.000 0.295 30 R C 0.377 176.638 176.300 -0.066 0.000 0.980 30 R CA -0.544 55.517 56.100 -0.066 0.000 0.934 30 R CB 1.416 31.691 30.300 -0.042 0.000 1.101 30 R HN 0.822 nan 8.270 nan 0.000 0.469 31 T N -2.275 112.217 114.554 -0.104 0.000 2.942 31 T HA 0.257 4.607 4.350 -0.000 0.000 0.289 31 T C 0.532 175.171 174.700 -0.102 0.000 1.044 31 T CA -0.880 61.174 62.100 -0.076 0.000 1.023 31 T CB 1.269 70.085 68.868 -0.086 0.000 1.123 31 T HN 0.514 nan 8.240 nan 0.000 0.512 32 N N 0.605 119.308 118.700 0.004 0.000 2.581 32 N HA 0.140 4.880 4.740 -0.000 0.000 0.230 32 N C -0.485 175.100 175.510 0.123 0.000 1.310 32 N CA -0.121 53.002 53.050 0.121 0.000 0.886 32 N CB -0.197 38.382 38.487 0.154 0.000 1.205 32 N HN 0.440 nan 8.380 nan 0.000 0.488 33 I N 1.439 121.951 120.570 -0.096 0.000 2.382 33 I HA 0.248 4.417 4.170 -0.000 0.000 0.286 33 I C -0.850 175.247 176.117 -0.034 0.000 1.002 33 I CA -0.488 60.827 61.300 0.026 0.000 1.135 33 I CB 0.373 38.379 38.000 0.009 0.000 1.288 33 I HN -0.022 nan 8.210 nan 0.000 0.448 34 Y N 5.480 125.836 120.300 0.094 0.000 2.442 34 Y HA 0.551 5.100 4.550 -0.000 0.000 0.344 34 Y C -0.637 175.192 175.900 -0.119 0.000 0.976 34 Y CA -0.643 57.455 58.100 -0.004 0.000 1.040 34 Y CB 2.310 40.627 38.460 -0.239 0.000 1.228 34 Y HN 0.359 nan 8.280 nan 0.000 0.451 35 Y N 1.253 121.594 120.300 0.069 0.000 2.598 35 Y HA 0.408 4.957 4.550 -0.000 0.000 0.340 35 Y C -0.149 175.637 175.900 -0.190 0.000 1.038 35 Y CA -0.951 57.150 58.100 0.002 0.000 1.100 35 Y CB 1.648 40.107 38.460 -0.002 0.000 1.281 35 Y HN 0.609 nan 8.280 nan 0.000 0.488 36 H N 0.945 119.842 119.070 -0.288 0.000 2.676 36 H HA 0.908 5.464 4.556 -0.000 0.000 0.352 36 H C -1.699 173.264 175.328 -0.609 0.000 1.193 36 H CA -0.537 55.220 56.048 -0.486 0.000 1.243 36 H CB 1.844 31.199 29.762 -0.679 0.000 1.751 36 H HN 0.800 nan 8.280 nan 0.000 0.567 37 A N 0.693 123.017 122.820 -0.828 0.000 2.605 37 A HA 0.650 4.970 4.320 -0.000 0.000 0.294 37 A C -1.022 176.362 177.584 -0.333 0.000 1.062 37 A CA 0.009 51.780 52.037 -0.443 0.000 0.682 37 A CB 1.590 20.230 19.000 -0.601 0.000 1.278 37 A HN 1.034 nan 8.150 nan 0.000 0.410 38 G N -0.276 108.502 108.800 -0.038 0.000 2.547 38 G HA2 0.673 4.633 3.960 -0.000 0.000 0.291 38 G HA3 0.673 4.633 3.960 -0.000 0.000 0.291 38 G C -0.523 174.400 174.900 0.038 0.000 1.471 38 G CA 0.267 45.343 45.100 -0.041 0.000 0.798 38 G HN 1.876 nan 8.290 nan 0.000 0.504 39 S N -0.274 115.413 115.700 -0.022 0.000 2.562 39 S HA 0.657 5.127 4.470 -0.000 0.000 0.275 39 S C 0.919 175.526 174.600 0.012 0.000 1.281 39 S CA 0.382 58.585 58.200 0.005 0.000 1.045 39 S CB 1.287 64.441 63.200 -0.077 0.000 0.962 39 S HN 2.011 nan 8.310 nan 0.000 0.503 40 S N 2.465 118.199 115.700 0.057 0.000 2.580 40 S HA 0.164 4.634 4.470 -0.000 0.000 0.266 40 S C 0.381 175.005 174.600 0.039 0.000 1.354 40 S CA -0.702 57.535 58.200 0.062 0.000 1.008 40 S CB -0.082 63.169 63.200 0.084 0.000 0.898 40 S HN 0.943 nan 8.310 nan 0.000 0.555 41 R N 0.246 120.770 120.500 0.040 0.000 2.543 41 R HA -0.078 4.262 4.340 -0.000 0.000 0.280 41 R C -0.938 175.426 176.300 0.106 0.000 0.885 41 R CA 0.594 56.724 56.100 0.050 0.000 1.130 41 R CB -0.637 29.699 30.300 0.060 0.000 0.871 41 R HN 0.640 nan 8.270 nan 0.000 0.424 42 L N 7.275 128.571 121.223 0.121 0.000 2.324 42 L HA 0.347 4.686 4.340 -0.000 0.000 0.274 42 L C -0.246 176.845 176.870 0.368 0.000 1.012 42 L CA -0.472 54.526 54.840 0.264 0.000 0.859 42 L CB 1.044 43.126 42.059 0.038 0.000 1.224 42 L HN 0.510 nan 8.230 nan 0.000 0.429 43 L N 2.729 124.186 121.223 0.390 0.000 2.416 43 L HA 0.936 5.276 4.340 -0.000 0.000 0.263 43 L C 0.152 177.282 176.870 0.434 0.000 1.065 43 L CA -0.690 54.360 54.840 0.350 0.000 0.798 43 L CB 1.673 43.854 42.059 0.202 0.000 1.267 43 L HN 0.661 nan 8.230 nan 0.000 0.467 44 A N 0.688 123.692 122.820 0.306 0.000 2.530 44 A HA 0.665 4.985 4.320 -0.000 0.000 0.297 44 A C -1.622 176.042 177.584 0.134 0.000 1.059 44 A CA -0.393 51.770 52.037 0.209 0.000 0.782 44 A CB 1.354 20.552 19.000 0.330 0.000 1.301 44 A HN 0.286 nan 8.150 nan 0.000 0.394 45 V N 1.579 121.538 119.914 0.074 0.000 2.623 45 V HA 0.918 5.038 4.120 -0.000 0.000 0.304 45 V C 0.534 176.657 176.094 0.048 0.000 1.054 45 V CA 0.337 62.678 62.300 0.069 0.000 0.882 45 V CB 1.538 33.399 31.823 0.063 0.000 1.002 45 V HN 1.804 nan 8.190 nan 0.000 0.424 46 G N 1.680 110.513 108.800 0.055 0.000 2.753 46 G HA2 0.396 4.356 3.960 -0.000 0.000 0.303 46 G HA3 0.396 4.356 3.960 -0.000 0.000 0.303 46 G C -1.509 173.434 174.900 0.071 0.000 1.242 46 G CA -0.572 44.566 45.100 0.064 0.000 0.810 46 G HN 0.665 nan 8.290 nan 0.000 0.515 47 H N 1.550 120.607 119.070 -0.021 0.000 2.582 47 H HA 0.329 4.884 4.556 -0.000 0.000 0.345 47 H C -1.476 173.779 175.328 -0.123 0.000 1.104 47 H CA -1.452 54.529 56.048 -0.111 0.000 1.390 47 H CB 2.430 32.109 29.762 -0.138 0.000 1.461 47 H HN 0.104 nan 8.280 nan 0.000 0.551 48 P HA -0.054 nan 4.420 nan 0.000 0.231 48 P C 0.612 178.044 177.300 0.220 0.000 1.168 48 P CA 1.126 64.230 63.100 0.007 0.000 0.779 48 P CB 0.264 31.907 31.700 -0.095 0.000 0.844 49 Y N -0.728 119.716 120.300 0.241 0.000 2.382 49 Y HA 0.106 4.655 4.550 -0.000 0.000 0.292 49 Y C 1.017 176.923 175.900 0.009 0.000 1.151 49 Y CA -0.466 57.648 58.100 0.024 0.000 1.198 49 Y CB 0.164 38.541 38.460 -0.138 0.000 1.195 49 Y HN -0.106 nan 8.280 nan 0.000 0.530 50 Y N -1.724 118.649 120.300 0.123 0.000 2.638 50 Y HA 0.789 5.339 4.550 -0.000 0.000 0.335 50 Y C -0.838 175.019 175.900 -0.071 0.000 1.155 50 Y CA -3.066 55.027 58.100 -0.012 0.000 1.046 50 Y CB 0.364 38.782 38.460 -0.070 0.000 1.303 50 Y HN -0.100 nan 8.280 nan 0.000 0.460 51 A N 2.036 124.983 122.820 0.213 0.000 2.401 51 A HA 0.617 4.937 4.320 -0.000 0.000 0.259 51 A C -0.590 177.070 177.584 0.127 0.000 1.103 51 A CA -0.466 51.652 52.037 0.135 0.000 0.789 51 A CB -0.568 18.482 19.000 0.083 0.000 1.035 51 A HN 0.639 nan 8.150 nan 0.000 0.491 52 I N 3.249 123.887 120.570 0.114 0.000 2.307 52 I HA 0.224 4.393 4.170 -0.000 0.000 0.287 52 I C 0.475 176.624 176.117 0.053 0.000 1.054 52 I CA -0.347 61.007 61.300 0.090 0.000 1.218 52 I CB 0.625 38.702 38.000 0.128 0.000 1.398 52 I HN 0.718 nan 8.210 nan 0.000 0.475 53 K N 4.364 124.779 120.400 0.025 0.000 2.087 53 K HA 0.508 4.827 4.320 -0.000 0.000 0.255 53 K C -0.087 176.520 176.600 0.011 0.000 0.988 53 K CA -1.183 55.112 56.287 0.013 0.000 0.915 53 K CB 1.027 33.526 32.500 -0.002 0.000 1.043 53 K HN 0.147 nan 8.250 nan 0.000 0.457 54 K N 1.040 121.445 120.400 0.008 0.000 2.591 54 K HA -0.188 4.131 4.320 -0.000 0.000 0.280 54 K C 0.873 177.474 176.600 0.003 0.000 0.964 54 K CA 0.747 57.038 56.287 0.007 0.000 1.014 54 K CB 0.485 32.987 32.500 0.003 0.000 0.877 54 K HN 0.739 nan 8.250 nan 0.000 0.502 55 Q N 1.458 121.261 119.800 0.006 0.000 2.181 55 Q HA -0.153 4.187 4.340 -0.000 0.000 0.205 55 Q C 0.374 176.370 176.000 -0.006 0.000 0.980 55 Q CA 2.252 58.055 55.803 0.001 0.000 0.862 55 Q CB 0.184 28.926 28.738 0.006 0.000 0.905 55 Q HN 0.760 nan 8.270 nan 0.000 0.429 56 D N -1.813 118.584 120.400 -0.005 0.000 2.856 56 D HA 0.081 4.721 4.640 -0.000 0.000 0.283 56 D C 0.297 176.592 176.300 -0.008 0.000 1.051 56 D CA 0.248 54.244 54.000 -0.007 0.000 0.965 56 D CB -0.405 40.392 40.800 -0.006 0.000 1.201 56 D HN 0.058 nan 8.370 nan 0.000 0.474 57 S N 1.157 116.854 115.700 -0.006 0.000 2.580 57 S HA 0.022 4.492 4.470 -0.000 0.000 0.266 57 S C 0.925 175.519 174.600 -0.009 0.000 1.354 57 S CA -0.338 57.857 58.200 -0.007 0.000 1.008 57 S CB 0.339 63.535 63.200 -0.006 0.000 0.898 57 S HN 0.254 nan 8.310 nan 0.000 0.555 58 N N 1.741 120.434 118.700 -0.010 0.000 2.238 58 N HA 0.060 4.799 4.740 -0.000 0.000 0.222 58 N C -0.355 175.150 175.510 -0.010 0.000 1.133 58 N CA -0.289 52.754 53.050 -0.012 0.000 0.854 58 N CB 0.098 38.577 38.487 -0.014 0.000 1.041 58 N HN 0.434 nan 8.380 nan 0.000 0.510 59 K N 1.540 121.935 120.400 -0.008 0.000 2.258 59 K HA 0.183 4.502 4.320 -0.000 0.000 0.284 59 K C -0.053 176.545 176.600 -0.003 0.000 1.051 59 K CA -0.644 55.639 56.287 -0.007 0.000 0.923 59 K CB 0.783 33.279 32.500 -0.007 0.000 1.046 59 K HN -0.100 nan 8.250 nan 0.000 0.474 60 I N 4.410 124.978 120.570 -0.004 0.000 2.741 60 I HA -0.110 4.060 4.170 -0.000 0.000 0.288 60 I C 1.116 177.236 176.117 0.004 0.000 1.192 60 I CA 0.624 61.926 61.300 0.003 0.000 1.426 60 I CB 0.232 38.232 38.000 -0.001 0.000 1.367 60 I HN 0.859 nan 8.210 nan 0.000 0.563 61 A N 7.339 130.168 122.820 0.015 0.000 1.909 61 A HA 0.238 4.558 4.320 -0.000 0.000 0.210 61 A C 0.638 178.235 177.584 0.021 0.000 1.273 61 A CA 0.380 52.427 52.037 0.016 0.000 0.654 61 A CB 0.137 19.151 19.000 0.023 0.000 0.945 61 A HN 0.428 nan 8.150 nan 0.000 0.471 62 V N 2.592 122.529 119.914 0.040 0.000 2.409 62 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 62 V C -2.420 173.707 176.094 0.054 0.000 1.020 62 V CA -1.888 60.442 62.300 0.049 0.000 0.848 62 V CB 1.501 33.373 31.823 0.081 0.000 0.990 62 V HN 0.344 nan 8.190 nan 0.000 0.430 63 P HA 0.157 nan 4.420 nan 0.000 0.275 63 P C -0.925 176.417 177.300 0.070 0.000 1.270 63 P CA -0.576 62.545 63.100 0.035 0.000 0.791 63 P CB 0.919 32.619 31.700 0.000 0.000 1.089 64 K N 0.286 120.731 120.400 0.074 0.000 2.357 64 K HA 0.361 4.681 4.320 -0.000 0.000 0.251 64 K C -1.308 175.331 176.600 0.066 0.000 1.069 64 K CA -0.600 55.746 56.287 0.097 0.000 0.994 64 K CB -0.084 32.489 32.500 0.121 0.000 1.411 64 K HN 0.045 nan 8.250 nan 0.000 0.450 65 V N 3.245 123.185 119.914 0.044 0.000 2.368 65 V HA 0.257 4.377 4.120 -0.000 0.000 0.266 65 V C -0.273 175.771 176.094 -0.084 0.000 1.045 65 V CA -0.373 61.922 62.300 -0.008 0.000 0.899 65 V CB 0.873 32.681 31.823 -0.024 0.000 1.006 65 V HN 0.804 nan 8.190 nan 0.000 0.470 66 S N 3.496 119.152 115.700 -0.074 0.000 2.548 66 S HA 0.612 5.082 4.470 -0.000 0.000 0.286 66 S C 1.105 175.673 174.600 -0.055 0.000 1.098 66 S CA 0.069 58.246 58.200 -0.038 0.000 0.930 66 S CB 1.948 65.232 63.200 0.140 0.000 1.070 66 S HN 0.862 nan 8.310 nan 0.000 0.480 67 G N 1.907 110.770 108.800 0.105 0.000 2.776 67 G HA2 0.103 4.063 3.960 -0.000 0.000 0.209 67 G HA3 0.103 4.063 3.960 -0.000 0.000 0.209 67 G C 0.455 175.468 174.900 0.189 0.000 1.145 67 G CA 0.312 45.538 45.100 0.210 0.000 0.791 67 G HN 0.631 nan 8.290 nan 0.000 0.530 68 L N 0.241 121.578 121.223 0.189 0.000 2.978 68 L HA 0.396 4.736 4.340 -0.000 0.000 0.239 68 L C 0.502 177.455 176.870 0.137 0.000 1.293 68 L CA 0.013 54.964 54.840 0.185 0.000 1.085 68 L CB 0.226 42.459 42.059 0.290 0.000 1.432 68 L HN 0.093 nan 8.230 nan 0.000 0.512 69 Q N -1.362 118.497 119.800 0.098 0.000 2.528 69 Q HA 0.476 4.816 4.340 -0.000 0.000 0.289 69 Q C -1.463 174.588 176.000 0.084 0.000 1.091 69 Q CA -0.886 54.991 55.803 0.123 0.000 0.797 69 Q CB 2.622 31.432 28.738 0.120 0.000 1.466 69 Q HN 0.009 nan 8.270 nan 0.000 0.436 70 Y N 0.272 120.596 120.300 0.039 0.000 2.376 70 Y HA 0.385 4.935 4.550 -0.000 0.000 0.325 70 Y C 0.029 175.892 175.900 -0.062 0.000 1.199 70 Y CA -0.399 57.708 58.100 0.012 0.000 1.206 70 Y CB 1.060 39.524 38.460 0.007 0.000 1.229 70 Y HN 0.165 nan 8.280 nan 0.000 0.480 71 R N 2.437 122.949 120.500 0.020 0.000 2.352 71 R HA 0.377 4.716 4.340 -0.000 0.000 0.304 71 R C -1.751 174.331 176.300 -0.364 0.000 1.104 71 R CA -0.662 55.217 56.100 -0.367 0.000 0.991 71 R CB 0.726 30.636 30.300 -0.651 0.000 1.140 71 R HN 0.408 nan 8.270 nan 0.000 0.540 72 V N 5.062 124.825 119.914 -0.252 0.000 2.294 72 V HA 0.401 4.521 4.120 -0.000 0.000 0.272 72 V C -0.020 175.962 176.094 -0.187 0.000 1.027 72 V CA -0.615 61.637 62.300 -0.081 0.000 0.823 72 V CB 0.377 32.295 31.823 0.158 0.000 1.030 72 V HN 0.393 nan 8.190 nan 0.000 0.457 73 F N 3.626 123.581 119.950 0.008 0.000 2.411 73 F HA 0.515 5.042 4.527 -0.000 0.000 0.350 73 F C 0.843 176.494 175.800 -0.248 0.000 1.114 73 F CA -0.391 57.575 58.000 -0.057 0.000 1.135 73 F CB 1.059 39.983 39.000 -0.126 0.000 1.120 73 F HN 0.302 nan 8.300 nan 0.000 0.495 74 R N 3.191 123.610 120.500 -0.135 0.000 2.207 74 R HA 0.495 4.834 4.340 -0.000 0.000 0.334 74 R C -1.389 174.749 176.300 -0.269 0.000 1.013 74 R CA -0.471 55.264 56.100 -0.609 0.000 0.858 74 R CB 0.999 31.026 30.300 -0.455 0.000 1.094 74 R HN 0.497 nan 8.270 nan 0.000 0.457 75 V N 5.885 125.606 119.914 -0.322 0.000 2.385 75 V HA 0.198 4.318 4.120 -0.000 0.000 0.269 75 V C 0.197 176.184 176.094 -0.178 0.000 1.043 75 V CA -0.441 61.756 62.300 -0.170 0.000 0.906 75 V CB 1.265 32.947 31.823 -0.234 0.000 0.995 75 V HN 0.547 nan 8.190 nan 0.000 0.467 76 K N 5.661 126.001 120.400 -0.099 0.000 2.234 76 K HA 0.546 4.866 4.320 -0.000 0.000 0.277 76 K C -0.693 175.840 176.600 -0.110 0.000 1.038 76 K CA -0.256 55.977 56.287 -0.090 0.000 0.888 76 K CB 1.509 33.985 32.500 -0.040 0.000 1.091 76 K HN 0.529 nan 8.250 nan 0.000 0.467 77 L N 5.200 126.329 121.223 -0.156 0.000 2.344 77 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 77 L C -1.783 174.918 176.870 -0.282 0.000 1.035 77 L CA -2.176 52.508 54.840 -0.261 0.000 0.807 77 L CB 1.397 43.250 42.059 -0.343 0.000 1.237 77 L HN 0.394 nan 8.230 nan 0.000 0.442 78 P HA -0.088 nan 4.420 nan 0.000 0.266 78 P C -1.024 176.086 177.300 -0.316 0.000 1.195 78 P CA -0.144 62.648 63.100 -0.514 0.000 0.768 78 P CB 0.937 32.018 31.700 -1.031 0.000 0.838 79 D N 5.018 125.287 120.400 -0.219 0.000 2.338 79 D HA 0.043 4.683 4.640 -0.000 0.000 0.255 79 D C -1.127 175.020 176.300 -0.255 0.000 1.237 79 D CA -1.993 51.916 54.000 -0.153 0.000 0.883 79 D CB 0.681 41.456 40.800 -0.041 0.000 1.087 79 D HN 0.249 nan 8.370 nan 0.000 0.485 80 P HA -0.103 nan 4.420 nan 0.000 0.234 80 P C 0.528 177.760 177.300 -0.114 0.000 1.162 80 P CA 0.496 63.365 63.100 -0.385 0.000 0.759 80 P CB 0.470 31.683 31.700 -0.813 0.000 0.813 81 N N 0.486 119.125 118.700 -0.100 0.000 2.368 81 N HA -0.009 4.731 4.740 -0.000 0.000 0.176 81 N C 1.596 177.109 175.510 0.006 0.000 1.021 81 N CA 0.766 53.796 53.050 -0.034 0.000 0.888 81 N CB -0.005 38.453 38.487 -0.049 0.000 0.995 81 N HN 0.331 nan 8.380 nan 0.000 0.437 82 K N 0.351 120.754 120.400 0.006 0.000 2.001 82 K HA -0.025 4.295 4.320 -0.000 0.000 0.208 82 K C 0.648 177.275 176.600 0.045 0.000 1.048 82 K CA 0.412 56.715 56.287 0.026 0.000 0.932 82 K CB -0.335 32.186 32.500 0.035 0.000 0.715 82 K HN -0.065 nan 8.250 nan 0.000 0.437 83 F N 1.537 121.352 119.950 -0.225 0.000 2.650 83 F HA 0.031 4.558 4.527 -0.000 0.000 0.355 83 F C 1.237 176.723 175.800 -0.524 0.000 1.163 83 F CA 0.292 58.038 58.000 -0.424 0.000 1.374 83 F CB 0.238 38.874 39.000 -0.607 0.000 1.065 83 F HN 0.046 nan 8.300 nan 0.000 0.616 84 G N 2.836 111.320 108.800 -0.528 0.000 2.461 84 G HA2 0.590 4.550 3.960 -0.000 0.000 0.323 84 G HA3 0.590 4.550 3.960 -0.000 0.000 0.323 84 G C -1.810 172.708 174.900 -0.637 0.000 1.229 84 G CA -0.470 44.391 45.100 -0.397 0.000 0.941 84 G HN 0.371 nan 8.290 nan 0.000 0.477 85 F N 1.512 121.461 119.950 -0.003 0.000 2.579 85 F HA 0.518 5.044 4.527 -0.000 0.000 0.324 85 F C -1.167 174.630 175.800 -0.004 0.000 1.058 85 F CA -1.953 56.055 58.000 0.014 0.000 0.944 85 F CB 2.815 41.824 39.000 0.014 0.000 1.245 85 F HN 0.328 nan 8.300 nan 0.000 0.477 86 P HA -0.033 nan 4.420 nan 0.000 0.220 86 P C 0.750 178.074 177.300 0.040 0.000 1.154 86 P CA 1.062 64.224 63.100 0.104 0.000 0.837 86 P CB 0.380 32.146 31.700 0.109 0.000 0.815 87 D N 0.639 121.076 120.400 0.062 0.000 2.371 87 D HA -0.053 4.587 4.640 -0.000 0.000 0.221 87 D C 0.415 176.543 176.300 -0.287 0.000 0.986 87 D CA 0.730 54.716 54.000 -0.023 0.000 0.899 87 D CB -0.496 40.361 40.800 0.094 0.000 0.902 87 D HN 0.152 nan 8.370 nan 0.000 0.530 88 T N -1.586 112.863 114.554 -0.175 0.000 3.783 88 T HA 0.238 4.588 4.350 -0.000 0.000 0.262 88 T C 1.092 175.701 174.700 -0.151 0.000 1.381 88 T CA -0.157 61.831 62.100 -0.187 0.000 1.155 88 T CB 0.134 68.961 68.868 -0.068 0.000 1.256 88 T HN -0.060 nan 8.240 nan 0.000 0.807 89 S N 0.744 116.162 115.700 -0.470 0.000 2.514 89 S HA 0.155 4.625 4.470 -0.000 0.000 0.223 89 S C 0.793 175.252 174.600 -0.235 0.000 1.046 89 S CA -0.670 57.357 58.200 -0.288 0.000 0.914 89 S CB -0.590 62.475 63.200 -0.225 0.000 0.807 89 S HN 0.646 nan 8.310 nan 0.000 0.497 90 F N 1.724 121.735 119.950 0.102 0.000 2.954 90 F HA 0.659 5.186 4.527 -0.000 0.000 0.300 90 F C -0.236 175.654 175.800 0.150 0.000 1.206 90 F CA -2.079 55.974 58.000 0.089 0.000 1.345 90 F CB -1.110 37.927 39.000 0.061 0.000 1.206 90 F HN 0.218 nan 8.300 nan 0.000 0.537 91 Y N 0.745 121.050 120.300 0.009 0.000 2.441 91 Y HA 0.531 5.081 4.550 -0.000 0.000 0.334 91 Y C -1.966 173.924 175.900 -0.018 0.000 1.061 91 Y CA -2.331 55.776 58.100 0.012 0.000 1.032 91 Y CB 1.559 39.997 38.460 -0.037 0.000 1.266 91 Y HN 0.133 nan 8.280 nan 0.000 0.441 92 D N 8.320 128.394 120.400 -0.544 0.000 2.414 92 D HA 0.419 5.059 4.640 -0.000 0.000 0.232 92 D C -2.218 173.540 176.300 -0.904 0.000 1.070 92 D CA -2.688 50.957 54.000 -0.591 0.000 0.839 92 D CB 2.195 42.846 40.800 -0.248 0.000 1.079 92 D HN 0.369 nan 8.370 nan 0.000 0.521 93 P HA -0.010 nan 4.420 nan 0.000 0.227 93 P C 1.109 178.238 177.300 -0.286 0.000 1.161 93 P CA 0.426 63.135 63.100 -0.652 0.000 0.788 93 P CB 0.291 31.779 31.700 -0.354 0.000 0.822 94 A N 1.757 124.434 122.820 -0.238 0.000 1.842 94 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 94 A C 2.495 180.017 177.584 -0.104 0.000 1.206 94 A CA 3.315 55.272 52.037 -0.134 0.000 0.630 94 A CB -1.605 17.325 19.000 -0.116 0.000 0.839 94 A HN 0.406 nan 8.150 nan 0.000 0.447 95 S N -0.928 114.705 115.700 -0.111 0.000 2.478 95 S HA 0.120 4.590 4.470 -0.000 0.000 0.222 95 S C 0.851 175.423 174.600 -0.046 0.000 1.008 95 S CA 0.231 58.396 58.200 -0.058 0.000 0.928 95 S CB -0.192 62.985 63.200 -0.037 0.000 0.781 95 S HN 0.686 nan 8.310 nan 0.000 0.518 96 Q N 0.495 120.247 119.800 -0.080 0.000 2.204 96 Q HA 0.676 5.016 4.340 -0.000 0.000 0.254 96 Q C -0.350 175.639 176.000 -0.018 0.000 0.981 96 Q CA -1.020 54.793 55.803 0.017 0.000 0.897 96 Q CB 0.967 29.807 28.738 0.169 0.000 1.273 96 Q HN 0.101 nan 8.270 nan 0.000 0.464 97 R N 0.128 120.530 120.500 -0.163 0.000 2.885 97 R HA 0.628 4.967 4.340 -0.000 0.000 0.260 97 R C -1.061 174.988 176.300 -0.418 0.000 1.107 97 R CA -0.915 54.919 56.100 -0.444 0.000 0.978 97 R CB 0.914 30.453 30.300 -1.269 0.000 1.227 97 R HN 0.535 nan 8.270 nan 0.000 0.473 98 L N 0.772 121.691 121.223 -0.506 0.000 2.362 98 L HA 0.691 5.030 4.340 -0.000 0.000 0.271 98 L C -0.704 176.021 176.870 -0.241 0.000 1.002 98 L CA -1.022 53.580 54.840 -0.398 0.000 0.818 98 L CB 2.287 44.076 42.059 -0.450 0.000 1.298 98 L HN 0.197 nan 8.230 nan 0.000 0.420 99 V N -0.307 119.488 119.914 -0.199 0.000 3.078 99 V HA 0.419 4.539 4.120 -0.000 0.000 0.311 99 V C -1.297 174.663 176.094 -0.224 0.000 1.138 99 V CA -0.922 61.315 62.300 -0.104 0.000 1.007 99 V CB 2.209 34.020 31.823 -0.021 0.000 1.045 99 V HN 0.651 nan 8.190 nan 0.000 0.432 100 W N 1.190 122.401 121.300 -0.148 0.000 2.390 100 W HA 0.708 5.368 4.660 -0.000 0.000 0.312 100 W C 0.150 176.611 176.519 -0.098 0.000 1.123 100 W CA -0.433 56.814 57.345 -0.163 0.000 1.202 100 W CB 1.603 30.857 29.460 -0.343 0.000 1.251 100 W HN 0.729 nan 8.180 nan 0.000 0.511 101 A N 3.874 126.854 122.820 0.265 0.000 2.273 101 A HA 0.412 4.732 4.320 -0.000 0.000 0.315 101 A C -0.551 177.137 177.584 0.173 0.000 1.256 101 A CA -0.641 51.449 52.037 0.088 0.000 0.851 101 A CB 0.350 19.341 19.000 -0.015 0.000 1.172 101 A HN 0.763 nan 8.150 nan 0.000 0.508 102 C N 2.548 121.917 119.300 0.116 0.000 2.611 102 C HA 0.346 4.806 4.460 -0.000 0.000 0.416 102 C C 1.577 176.517 174.990 -0.084 0.000 1.366 102 C CA 1.152 60.156 59.018 -0.023 0.000 1.761 102 C CB -0.613 27.076 27.740 -0.085 0.000 2.619 102 C HN 0.899 nan 8.230 nan 0.000 0.606 103 T N 2.970 117.462 114.554 -0.104 0.000 3.075 103 T HA 0.338 4.688 4.350 -0.000 0.000 0.251 103 T C 0.479 175.299 174.700 0.199 0.000 0.979 103 T CA 0.637 62.784 62.100 0.078 0.000 1.033 103 T CB 0.470 69.430 68.868 0.154 0.000 1.104 103 T HN 0.942 nan 8.240 nan 0.000 0.473 104 G N 1.184 110.014 108.800 0.051 0.000 2.753 104 G HA2 0.574 4.534 3.960 -0.000 0.000 0.295 104 G HA3 0.574 4.534 3.960 -0.000 0.000 0.295 104 G C -1.171 173.527 174.900 -0.337 0.000 1.437 104 G CA -0.416 44.639 45.100 -0.076 0.000 1.094 104 G HN 0.164 nan 8.290 nan 0.000 0.540 105 V N 1.113 120.815 119.914 -0.353 0.000 3.109 105 V HA 0.742 4.862 4.120 -0.000 0.000 0.317 105 V C -0.117 175.603 176.094 -0.624 0.000 1.074 105 V CA -0.785 61.278 62.300 -0.395 0.000 1.033 105 V CB 1.982 33.729 31.823 -0.127 0.000 1.111 105 V HN 0.702 nan 8.190 nan 0.000 0.458 106 E N 0.826 120.613 120.200 -0.689 0.000 2.367 106 E HA 0.307 4.657 4.350 -0.000 0.000 0.292 106 E C -1.966 174.287 176.600 -0.578 0.000 0.900 106 E CA -0.207 55.774 56.400 -0.698 0.000 0.807 106 E CB 2.188 31.538 29.700 -0.583 0.000 1.337 106 E HN 0.407 nan 8.360 nan 0.000 0.394 107 V N 2.970 122.588 119.914 -0.493 0.000 2.240 107 V HA 0.339 4.459 4.120 -0.000 0.000 0.265 107 V C 0.915 176.821 176.094 -0.315 0.000 1.073 107 V CA -0.614 61.477 62.300 -0.349 0.000 0.857 107 V CB 0.918 32.619 31.823 -0.203 0.000 1.114 107 V HN 0.656 nan 8.190 nan 0.000 0.469 108 G N 4.613 113.231 108.800 -0.304 0.000 2.225 108 G HA2 0.205 4.165 3.960 -0.000 0.000 0.245 108 G HA3 0.205 4.165 3.960 -0.000 0.000 0.245 108 G C 0.069 174.784 174.900 -0.309 0.000 1.249 108 G CA -0.225 44.725 45.100 -0.250 0.000 0.919 108 G HN 0.471 nan 8.290 nan 0.000 0.486 109 R N 1.741 122.084 120.500 -0.262 0.000 2.437 109 R HA 0.507 4.846 4.340 -0.000 0.000 0.310 109 R C 0.507 176.691 176.300 -0.193 0.000 0.955 109 R CA -0.466 55.438 56.100 -0.327 0.000 0.851 109 R CB 1.757 31.921 30.300 -0.227 0.000 1.161 109 R HN 0.609 nan 8.270 nan 0.000 0.446 110 G N 0.986 109.673 108.800 -0.189 0.000 2.552 110 G HA2 0.512 4.472 3.960 -0.000 0.000 0.318 110 G HA3 0.512 4.472 3.960 -0.000 0.000 0.318 110 G C -0.918 173.943 174.900 -0.065 0.000 1.240 110 G CA -0.156 44.885 45.100 -0.099 0.000 1.002 110 G HN 0.385 nan 8.290 nan 0.000 0.493 111 Q N -1.757 118.030 119.800 -0.022 0.000 2.196 111 Q HA -0.126 4.214 4.340 -0.000 0.000 0.040 111 Q C -2.713 173.289 176.000 0.003 0.000 1.413 111 Q CA 0.134 55.939 55.803 0.004 0.000 0.207 111 Q CB -1.565 27.191 28.738 0.029 0.000 4.217 111 Q HN 0.660 nan 8.270 nan 0.000 0.303 112 P HA 0.337 nan 4.420 nan 0.000 0.287 112 P C -0.133 177.176 177.300 0.015 0.000 1.294 112 P CA -0.647 62.457 63.100 0.008 0.000 0.776 112 P CB 0.466 32.168 31.700 0.003 0.000 0.889 113 L N 2.552 123.788 121.223 0.021 0.000 2.832 113 L HA 0.135 4.475 4.340 -0.000 0.000 0.334 113 L C 1.370 178.254 176.870 0.024 0.000 1.254 113 L CA 2.175 57.034 54.840 0.031 0.000 0.844 113 L CB -0.941 41.135 42.059 0.029 0.000 1.090 113 L HN 0.855 nan 8.230 nan 0.000 0.550 114 G N 0.994 109.812 108.800 0.030 0.000 2.368 114 G HA2 0.593 4.553 3.960 -0.000 0.000 0.293 114 G HA3 0.593 4.553 3.960 -0.000 0.000 0.293 114 G C -1.668 173.243 174.900 0.018 0.000 1.467 114 G CA -0.107 44.999 45.100 0.011 0.000 0.804 114 G HN 1.009 nan 8.290 nan 0.000 0.535 115 V N -1.663 118.253 119.914 0.003 0.000 2.841 115 V HA 0.994 5.114 4.120 -0.000 0.000 0.310 115 V C 0.571 176.662 176.094 -0.004 0.000 1.090 115 V CA 0.048 62.359 62.300 0.019 0.000 0.930 115 V CB 1.456 33.303 31.823 0.040 0.000 1.014 115 V HN 1.793 nan 8.190 nan 0.000 0.425 116 G N 1.970 110.778 108.800 0.013 0.000 2.588 116 G HA2 0.714 4.674 3.960 -0.000 0.000 0.281 116 G HA3 0.714 4.674 3.960 -0.000 0.000 0.281 116 G C -0.794 174.094 174.900 -0.020 0.000 1.236 116 G CA -0.425 44.674 45.100 -0.002 0.000 0.969 116 G HN 1.528 nan 8.290 nan 0.000 0.504 117 I N -1.007 119.548 120.570 -0.026 0.000 2.685 117 I HA 0.457 4.626 4.170 -0.000 0.000 0.289 117 I C -1.160 174.894 176.117 -0.105 0.000 1.292 117 I CA -0.597 60.661 61.300 -0.070 0.000 1.050 117 I CB 1.917 39.910 38.000 -0.013 0.000 1.301 117 I HN 0.428 nan 8.210 nan 0.000 0.425 118 S N 5.484 120.979 115.700 -0.341 0.000 2.605 118 S HA 0.826 5.295 4.470 -0.000 0.000 0.308 118 S C -0.045 174.345 174.600 -0.350 0.000 1.113 118 S CA -0.545 57.359 58.200 -0.492 0.000 1.049 118 S CB 1.662 64.403 63.200 -0.765 0.000 1.001 118 S HN 0.899 nan 8.310 nan 0.000 0.480 119 G N 0.893 109.484 108.800 -0.348 0.000 3.107 119 G HA2 0.670 4.629 3.960 -0.000 0.000 0.232 119 G HA3 0.670 4.629 3.960 -0.000 0.000 0.232 119 G C -1.321 173.496 174.900 -0.138 0.000 1.339 119 G CA -0.445 44.554 45.100 -0.170 0.000 1.033 119 G HN 0.678 nan 8.290 nan 0.000 0.567 120 H N -0.488 118.500 119.070 -0.137 0.000 3.179 120 H HA 0.269 4.825 4.556 -0.000 0.000 0.331 120 H C -2.232 173.061 175.328 -0.060 0.000 1.013 120 H CA -1.036 54.952 56.048 -0.100 0.000 1.430 120 H CB 2.672 32.372 29.762 -0.104 0.000 1.895 120 H HN 0.098 nan 8.280 nan 0.000 0.468 121 P HA -0.090 nan 4.420 nan 0.000 0.217 121 P C 0.446 177.847 177.300 0.169 0.000 1.151 121 P CA 1.284 64.406 63.100 0.037 0.000 0.849 121 P CB 0.354 32.026 31.700 -0.047 0.000 0.787 122 L N -1.569 119.963 121.223 0.514 0.000 2.839 122 L HA 0.263 4.603 4.340 -0.000 0.000 0.259 122 L C 0.003 176.870 176.870 -0.005 0.000 1.369 122 L CA -0.967 54.030 54.840 0.263 0.000 0.845 122 L CB 0.391 42.575 42.059 0.208 0.000 1.181 122 L HN -0.075 nan 8.230 nan 0.000 0.529 123 L N 0.973 122.180 121.223 -0.026 0.000 2.467 123 L HA 0.163 4.503 4.340 -0.000 0.000 0.270 123 L C 0.552 177.301 176.870 -0.201 0.000 1.205 123 L CA 0.417 55.104 54.840 -0.255 0.000 0.828 123 L CB 0.611 42.595 42.059 -0.125 0.000 1.101 123 L HN 0.318 nan 8.230 nan 0.000 0.479 124 N N 3.770 122.326 118.700 -0.240 0.000 2.645 124 N HA 0.219 4.959 4.740 -0.000 0.000 0.233 124 N C -1.242 174.230 175.510 -0.063 0.000 1.058 124 N CA -0.210 52.747 53.050 -0.156 0.000 0.942 124 N CB 0.114 38.495 38.487 -0.177 0.000 1.210 124 N HN 0.457 nan 8.380 nan 0.000 0.512 125 K N 5.215 125.609 120.400 -0.011 0.000 2.656 125 K HA 0.133 4.453 4.320 -0.000 0.000 0.241 125 K C -0.092 176.535 176.600 0.046 0.000 0.967 125 K CA -0.561 55.754 56.287 0.045 0.000 0.946 125 K CB 0.861 33.242 32.500 -0.198 0.000 1.164 125 K HN 0.376 nan 8.250 nan 0.000 0.459 126 L N 3.432 124.737 121.223 0.137 0.000 1.886 126 L HA -0.061 4.279 4.340 -0.000 0.000 0.226 126 L C -0.142 176.807 176.870 0.133 0.000 1.091 126 L CA 2.208 57.122 54.840 0.124 0.000 0.799 126 L CB -0.161 41.992 42.059 0.157 0.000 0.889 126 L HN 0.816 nan 8.230 nan 0.000 0.429 127 D N -2.542 117.978 120.400 0.200 0.000 2.559 127 D HA 0.293 4.932 4.640 -0.000 0.000 0.250 127 D C -1.521 174.973 176.300 0.324 0.000 1.135 127 D CA -0.588 53.539 54.000 0.213 0.000 0.955 127 D CB 0.485 41.379 40.800 0.156 0.000 1.442 127 D HN 0.094 nan 8.370 nan 0.000 0.471 128 D N -0.483 120.093 120.400 0.292 0.000 2.393 128 D HA 0.217 4.856 4.640 -0.000 0.000 0.232 128 D C 0.641 176.977 176.300 0.060 0.000 1.192 128 D CA -0.293 53.833 54.000 0.209 0.000 0.882 128 D CB 0.572 41.487 40.800 0.193 0.000 1.038 128 D HN 0.381 nan 8.370 nan 0.000 0.499 129 T N 0.091 114.646 114.554 0.002 0.000 3.169 129 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 129 T C 1.363 175.993 174.700 -0.116 0.000 1.111 129 T CA -0.126 61.954 62.100 -0.032 0.000 1.010 129 T CB 0.077 68.933 68.868 -0.020 0.000 0.984 129 T HN 0.470 nan 8.240 nan 0.000 0.537 130 E N 1.881 121.993 120.200 -0.146 0.000 2.106 130 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 130 E C 0.568 177.102 176.600 -0.110 0.000 0.984 130 E CA 0.670 56.971 56.400 -0.165 0.000 0.806 130 E CB 0.180 29.754 29.700 -0.210 0.000 0.750 130 E HN 0.482 nan 8.360 nan 0.000 0.458 131 N N 0.009 118.667 118.700 -0.071 0.000 2.884 131 N HA 0.014 4.753 4.740 -0.000 0.000 0.211 131 N C -1.781 173.721 175.510 -0.014 0.000 1.442 131 N CA -0.071 52.951 53.050 -0.046 0.000 0.757 131 N CB 0.668 39.125 38.487 -0.051 0.000 1.461 131 N HN -0.097 nan 8.380 nan 0.000 0.557 132 S N 0.655 116.355 115.700 0.000 0.000 2.563 132 S HA 0.109 4.579 4.470 -0.000 0.000 0.284 132 S C 1.385 176.005 174.600 0.032 0.000 1.331 132 S CA 0.046 58.265 58.200 0.033 0.000 1.047 132 S CB 0.348 63.583 63.200 0.057 0.000 0.859 132 S HN 0.578 nan 8.310 nan 0.000 0.514 133 N N 2.360 121.084 118.700 0.041 0.000 2.083 133 N HA -0.003 4.737 4.740 -0.000 0.000 0.190 133 N C 0.415 175.953 175.510 0.047 0.000 1.047 133 N CA 0.680 53.752 53.050 0.037 0.000 0.845 133 N CB 0.006 38.514 38.487 0.035 0.000 1.025 133 N HN 0.382 nan 8.380 nan 0.000 0.428 134 K N -0.693 119.745 120.400 0.065 0.000 1.893 134 K HA 0.256 4.575 4.320 -0.000 0.000 0.252 134 K C -1.530 175.165 176.600 0.158 0.000 0.877 134 K CA -0.635 55.707 56.287 0.091 0.000 0.735 134 K CB -0.065 32.475 32.500 0.066 0.000 1.814 134 K HN -0.001 nan 8.250 nan 0.000 0.602 135 Y N 1.381 121.693 120.300 0.020 0.000 2.332 135 Y HA 0.452 5.002 4.550 -0.000 0.000 0.326 135 Y C -1.164 174.749 175.900 0.022 0.000 0.978 135 Y CA -0.905 57.208 58.100 0.022 0.000 1.205 135 Y CB 0.955 39.427 38.460 0.019 0.000 1.131 135 Y HN 0.139 nan 8.280 nan 0.000 0.462 136 V N 6.343 126.006 119.914 -0.419 0.000 2.539 136 V HA 0.574 4.694 4.120 -0.000 0.000 0.292 136 V C 1.106 176.748 176.094 -0.754 0.000 1.045 136 V CA -0.256 61.770 62.300 -0.456 0.000 0.945 136 V CB 1.174 32.888 31.823 -0.181 0.000 0.993 136 V HN 1.035 nan 8.190 nan 0.000 0.464 137 G N 3.138 111.592 108.800 -0.576 0.000 2.939 137 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.257 137 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.257 137 G C 0.090 174.867 174.900 -0.204 0.000 1.259 137 G CA -0.365 44.499 45.100 -0.394 0.000 0.928 137 G HN 0.811 nan 8.290 nan 0.000 0.615 138 N N 0.141 118.804 118.700 -0.061 0.000 2.411 138 N HA 0.199 4.939 4.740 -0.000 0.000 0.265 138 N C 0.996 176.497 175.510 -0.014 0.000 1.266 138 N CA 0.553 53.603 53.050 0.000 0.000 0.889 138 N CB 0.771 39.272 38.487 0.023 0.000 1.069 138 N HN 0.652 nan 8.380 nan 0.000 0.476 139 S N 0.940 116.639 115.700 -0.002 0.000 2.562 139 S HA 0.516 4.985 4.470 -0.000 0.000 0.256 139 S C 1.041 175.641 174.600 -0.001 0.000 1.248 139 S CA -0.203 57.994 58.200 -0.005 0.000 0.988 139 S CB 0.215 63.420 63.200 0.008 0.000 1.035 139 S HN 0.506 nan 8.310 nan 0.000 0.548 140 G N -0.765 108.035 108.800 -0.000 0.000 3.441 140 G HA2 0.544 4.504 3.960 -0.000 0.000 0.195 140 G HA3 0.544 4.504 3.960 -0.000 0.000 0.195 140 G C -0.672 174.230 174.900 0.003 0.000 1.633 140 G CA -0.301 44.799 45.100 0.001 0.000 0.895 140 G HN 0.738 nan 8.290 nan 0.000 0.654 141 T N 0.534 115.089 114.554 0.002 0.000 2.912 141 T HA 0.482 4.832 4.350 -0.000 0.000 0.288 141 T C -1.151 173.549 174.700 0.001 0.000 1.030 141 T CA 0.156 62.256 62.100 0.001 0.000 1.020 141 T CB 1.516 70.384 68.868 0.000 0.000 1.056 141 T HN 0.498 nan 8.240 nan 0.000 0.480 142 D N 1.680 122.080 120.400 -0.001 0.000 3.478 142 D HA -0.155 4.485 4.640 -0.000 0.000 0.219 142 D C -0.089 176.211 176.300 0.000 0.000 1.143 142 D CA 0.631 54.630 54.000 -0.002 0.000 1.047 142 D CB -0.732 40.068 40.800 0.000 0.000 0.820 142 D HN 0.645 nan 8.370 nan 0.000 0.393 143 N N 1.338 120.038 118.700 -0.000 0.000 2.235 143 N HA 0.118 4.858 4.740 -0.000 0.000 0.231 143 N C 0.037 175.545 175.510 -0.003 0.000 1.177 143 N CA -0.547 52.505 53.050 0.003 0.000 0.874 143 N CB 0.565 39.059 38.487 0.012 0.000 1.097 143 N HN 0.210 nan 8.380 nan 0.000 0.518 144 R N 1.564 122.057 120.500 -0.011 0.000 2.738 144 R HA 0.219 4.558 4.340 -0.000 0.000 0.268 144 R C 0.162 176.454 176.300 -0.013 0.000 1.062 144 R CA 0.170 56.255 56.100 -0.025 0.000 1.158 144 R CB 0.321 30.603 30.300 -0.031 0.000 1.046 144 R HN 0.372 nan 8.270 nan 0.000 0.493 145 E N -0.056 120.131 120.200 -0.021 0.000 2.407 145 E HA 0.167 4.517 4.350 -0.000 0.000 0.279 145 E C -1.347 175.250 176.600 -0.005 0.000 1.012 145 E CA -1.028 55.366 56.400 -0.010 0.000 0.800 145 E CB 1.159 30.846 29.700 -0.021 0.000 1.276 145 E HN 0.520 nan 8.360 nan 0.000 0.452 146 C N 2.648 121.954 119.300 0.010 0.000 2.648 146 C HA 0.543 5.003 4.460 -0.000 0.000 0.419 146 C C -0.119 174.867 174.990 -0.006 0.000 1.352 146 C CA 0.191 59.220 59.018 0.019 0.000 1.816 146 C CB -1.625 26.126 27.740 0.018 0.000 2.598 146 C HN 0.576 nan 8.230 nan 0.000 0.598 147 I N 5.497 126.065 120.570 -0.004 0.000 2.775 147 I HA 0.370 4.539 4.170 -0.000 0.000 0.295 147 I C -0.022 176.087 176.117 -0.012 0.000 1.287 147 I CA 0.005 61.289 61.300 -0.027 0.000 1.029 147 I CB 2.556 40.505 38.000 -0.085 0.000 1.282 147 I HN 0.782 nan 8.210 nan 0.000 0.426 148 S N 5.973 121.668 115.700 -0.009 0.000 2.823 148 S HA 0.979 5.449 4.470 -0.000 0.000 0.316 148 S C -0.532 174.070 174.600 0.004 0.000 1.116 148 S CA -0.700 57.485 58.200 -0.024 0.000 0.911 148 S CB 2.417 65.600 63.200 -0.029 0.000 1.276 148 S HN 0.780 nan 8.310 nan 0.000 0.565 149 M N -0.723 118.862 119.600 -0.024 0.000 3.256 149 M HA 0.326 4.806 4.480 -0.000 0.000 0.259 149 M C -2.803 173.467 176.300 -0.050 0.000 0.846 149 M CA -0.779 54.535 55.300 0.023 0.000 0.822 149 M CB 1.113 33.791 32.600 0.131 0.000 1.553 149 M HN 0.773 nan 8.290 nan 0.000 0.576 150 D N 1.156 121.568 120.400 0.019 0.000 2.593 150 D HA 0.461 5.100 4.640 -0.000 0.000 0.251 150 D C -1.282 175.102 176.300 0.140 0.000 1.140 150 D CA -0.262 53.742 54.000 0.007 0.000 0.855 150 D CB 1.495 42.316 40.800 0.035 0.000 1.267 150 D HN 0.681 nan 8.370 nan 0.000 0.532 151 Y N 0.755 121.096 120.300 0.068 0.000 2.220 151 Y HA 0.042 4.592 4.550 -0.000 0.000 0.347 151 Y C 1.626 177.546 175.900 0.032 0.000 1.311 151 Y CA -0.932 57.212 58.100 0.074 0.000 1.593 151 Y CB 0.965 39.490 38.460 0.108 0.000 1.419 151 Y HN 0.293 nan 8.280 nan 0.000 0.614 152 K N 1.570 122.082 120.400 0.187 0.000 2.494 152 K HA -0.119 4.201 4.320 -0.000 0.000 0.273 152 K C -0.614 176.053 176.600 0.111 0.000 0.970 152 K CA -0.088 56.247 56.287 0.079 0.000 0.963 152 K CB 0.386 32.913 32.500 0.046 0.000 0.913 152 K HN 0.641 nan 8.250 nan 0.000 0.502 153 Q N 2.413 122.263 119.800 0.084 0.000 2.307 153 Q HA 0.286 4.626 4.340 -0.000 0.000 0.262 153 Q C -1.492 174.558 176.000 0.084 0.000 0.961 153 Q CA -0.614 55.245 55.803 0.092 0.000 0.882 153 Q CB 1.741 30.525 28.738 0.077 0.000 1.264 153 Q HN 0.671 nan 8.270 nan 0.000 0.446 154 T N 2.957 117.565 114.554 0.090 0.000 2.907 154 T HA 0.463 4.813 4.350 -0.000 0.000 0.292 154 T C -0.891 173.846 174.700 0.062 0.000 1.043 154 T CA -0.819 61.328 62.100 0.077 0.000 1.003 154 T CB 1.732 70.650 68.868 0.083 0.000 1.084 154 T HN 0.633 nan 8.240 nan 0.000 0.483 155 Q N 1.610 121.425 119.800 0.025 0.000 2.444 155 Q HA 0.543 4.882 4.340 -0.000 0.000 0.251 155 Q C -1.273 174.731 176.000 0.006 0.000 0.939 155 Q CA -0.623 55.163 55.803 -0.029 0.000 0.740 155 Q CB 1.287 29.895 28.738 -0.217 0.000 1.308 155 Q HN 0.640 nan 8.270 nan 0.000 0.461 156 L N -1.132 120.193 121.223 0.170 0.000 2.283 156 L HA 1.032 5.372 4.340 -0.000 0.000 0.259 156 L C -1.033 176.048 176.870 0.351 0.000 1.027 156 L CA -0.950 54.005 54.840 0.192 0.000 0.828 156 L CB 2.315 44.478 42.059 0.173 0.000 1.380 156 L HN 0.556 nan 8.230 nan 0.000 0.425 157 C N 1.857 121.333 119.300 0.294 0.000 3.008 157 C HA 0.609 5.068 4.460 -0.000 0.000 0.405 157 C C -1.377 173.789 174.990 0.292 0.000 1.046 157 C CA -0.610 58.631 59.018 0.371 0.000 1.249 157 C CB -0.141 27.913 27.740 0.523 0.000 1.656 157 C HN 0.903 nan 8.230 nan 0.000 0.517 158 L N 6.336 127.722 121.223 0.271 0.000 2.307 158 L HA 0.712 5.052 4.340 -0.000 0.000 0.284 158 L C -0.414 176.618 176.870 0.269 0.000 1.023 158 L CA -0.704 54.268 54.840 0.220 0.000 0.810 158 L CB 1.374 43.480 42.059 0.079 0.000 1.231 158 L HN 0.448 nan 8.230 nan 0.000 0.423 159 I N 2.551 123.320 120.570 0.332 0.000 2.382 159 I HA 0.671 4.841 4.170 -0.000 0.000 0.286 159 I C 0.473 176.594 176.117 0.007 0.000 1.002 159 I CA -0.224 61.283 61.300 0.345 0.000 1.135 159 I CB 1.069 39.403 38.000 0.556 0.000 1.288 159 I HN 0.712 nan 8.210 nan 0.000 0.448 160 G N 3.623 112.348 108.800 -0.125 0.000 2.725 160 G HA2 0.464 4.424 3.960 -0.000 0.000 0.288 160 G HA3 0.464 4.424 3.960 -0.000 0.000 0.288 160 G C 0.077 174.895 174.900 -0.137 0.000 1.399 160 G CA -0.436 44.274 45.100 -0.650 0.000 0.859 160 G HN 0.650 nan 8.290 nan 0.000 0.479 161 C N -1.037 118.193 119.300 -0.118 0.000 2.855 161 C HA 0.628 5.088 4.460 -0.000 0.000 0.279 161 C C 0.637 175.712 174.990 0.142 0.000 1.270 161 C CA -0.831 58.338 59.018 0.251 0.000 1.702 161 C CB -1.452 26.505 27.740 0.362 0.000 1.949 161 C HN 0.455 nan 8.230 nan 0.000 0.618 162 R N 1.406 121.820 120.500 -0.145 0.000 2.837 162 R HA 0.538 4.878 4.340 -0.000 0.000 0.271 162 R C -2.975 172.803 176.300 -0.871 0.000 0.993 162 R CA -1.612 54.246 56.100 -0.403 0.000 0.931 162 R CB 1.622 31.796 30.300 -0.210 0.000 1.206 162 R HN 0.067 nan 8.270 nan 0.000 0.474 163 P HA 0.089 nan 4.420 nan 0.000 0.271 163 P C -2.427 174.547 177.300 -0.543 0.000 1.220 163 P CA -0.993 61.428 63.100 -1.132 0.000 0.768 163 P CB 0.378 31.546 31.700 -0.887 0.000 0.848 164 P HA 0.179 nan 4.420 nan 0.000 0.272 164 P C 0.041 177.166 177.300 -0.291 0.000 1.240 164 P CA -0.113 62.801 63.100 -0.311 0.000 0.791 164 P CB 0.692 32.237 31.700 -0.257 0.000 0.978 165 I N -2.612 117.795 120.570 -0.273 0.000 2.750 165 I HA 0.856 5.026 4.170 -0.000 0.000 0.308 165 I C -0.062 175.900 176.117 -0.259 0.000 1.016 165 I CA -0.936 60.216 61.300 -0.247 0.000 1.098 165 I CB 2.041 39.927 38.000 -0.190 0.000 1.279 165 I HN 0.334 nan 8.210 nan 0.000 0.454 166 G N 2.523 111.195 108.800 -0.214 0.000 2.481 166 G HA2 0.655 4.615 3.960 -0.000 0.000 0.315 166 G HA3 0.655 4.615 3.960 -0.000 0.000 0.315 166 G C -1.596 173.255 174.900 -0.083 0.000 1.231 166 G CA -0.705 44.288 45.100 -0.179 0.000 0.968 166 G HN 0.903 nan 8.290 nan 0.000 0.482 167 E N 0.111 120.296 120.200 -0.024 0.000 2.238 167 E HA 0.668 5.018 4.350 -0.000 0.000 0.267 167 E C -1.024 175.592 176.600 0.026 0.000 0.887 167 E CA -1.005 55.369 56.400 -0.043 0.000 0.769 167 E CB 2.172 31.821 29.700 -0.085 0.000 1.187 167 E HN 0.736 nan 8.360 nan 0.000 0.416 168 H N 0.826 119.775 119.070 -0.201 0.000 3.014 168 H HA 0.265 4.821 4.556 -0.000 0.000 0.337 168 H C -1.826 173.344 175.328 -0.265 0.000 1.320 168 H CA -1.286 54.658 56.048 -0.173 0.000 1.128 168 H CB 0.528 30.275 29.762 -0.025 0.000 1.862 168 H HN 0.675 nan 8.280 nan 0.000 0.536 169 W N 1.461 122.756 121.300 -0.008 0.000 2.332 169 W HA 0.551 5.211 4.660 -0.000 0.000 0.306 169 W C 0.597 177.085 176.519 -0.051 0.000 1.149 169 W CA -0.145 57.142 57.345 -0.097 0.000 1.271 169 W CB 1.591 31.013 29.460 -0.062 0.000 1.243 169 W HN 0.804 nan 8.180 nan 0.000 0.459 170 G N 2.251 111.096 108.800 0.075 0.000 2.597 170 G HA2 0.421 4.380 3.960 -0.000 0.000 0.317 170 G HA3 0.421 4.380 3.960 -0.000 0.000 0.317 170 G C -1.380 173.577 174.900 0.096 0.000 1.230 170 G CA -1.133 44.019 45.100 0.087 0.000 0.996 170 G HN 0.314 nan 8.290 nan 0.000 0.490 171 K N -0.166 120.276 120.400 0.069 0.000 2.379 171 K HA 0.447 4.767 4.320 -0.000 0.000 0.284 171 K C 0.445 177.068 176.600 0.038 0.000 1.044 171 K CA -0.100 56.214 56.287 0.046 0.000 0.974 171 K CB 0.327 32.847 32.500 0.035 0.000 0.962 171 K HN 0.493 nan 8.250 nan 0.000 0.474 172 G N 2.201 111.023 108.800 0.036 0.000 2.389 172 G HA2 0.208 4.168 3.960 -0.000 0.000 0.328 172 G HA3 0.208 4.168 3.960 -0.000 0.000 0.328 172 G C -0.763 174.148 174.900 0.019 0.000 1.133 172 G CA -0.617 44.501 45.100 0.030 0.000 0.891 172 G HN 0.602 nan 8.290 nan 0.000 0.485 173 T N 4.127 118.690 114.554 0.014 0.000 2.799 173 T HA 0.322 4.671 4.350 -0.000 0.000 0.296 173 T C -1.217 173.488 174.700 0.009 0.000 0.947 173 T CA -0.468 61.638 62.100 0.010 0.000 1.141 173 T CB 1.094 69.967 68.868 0.007 0.000 0.891 173 T HN 0.525 nan 8.240 nan 0.000 0.533 174 P HA 0.231 nan 4.420 nan 0.000 0.274 174 P C 0.062 177.365 177.300 0.004 0.000 1.260 174 P CA -0.596 62.507 63.100 0.004 0.000 0.793 174 P CB 0.547 32.248 31.700 0.002 0.000 1.048 175 S N -0.458 115.244 115.700 0.003 0.000 2.661 175 S HA 0.108 4.578 4.470 -0.000 0.000 0.265 175 S C 0.618 175.219 174.600 0.002 0.000 1.225 175 S CA -0.791 57.410 58.200 0.003 0.000 0.986 175 S CB -0.106 63.096 63.200 0.003 0.000 1.008 175 S HN 0.537 nan 8.310 nan 0.000 0.565 176 N N 1.406 120.107 118.700 0.001 0.000 2.543 176 N HA 0.322 5.062 4.740 -0.000 0.000 0.289 176 N C -0.131 175.379 175.510 0.000 0.000 1.223 176 N CA 0.421 53.471 53.050 0.001 0.000 1.080 176 N CB -0.737 37.750 38.487 0.001 0.000 1.450 176 N HN 0.739 nan 8.380 nan 0.000 0.501 177 A N 2.934 125.754 122.820 0.000 0.000 5.139 177 A HA 0.348 4.668 4.320 -0.000 0.000 0.164 177 A C -0.399 177.185 177.584 -0.001 0.000 0.803 177 A CA -0.559 51.477 52.037 -0.000 0.000 1.038 177 A CB 0.181 19.180 19.000 -0.001 0.000 2.123 177 A HN 0.491 nan 8.150 nan 0.000 0.998 178 N N 1.100 119.799 118.700 -0.001 0.000 2.297 178 N HA 0.327 5.067 4.740 -0.000 0.000 0.232 178 N C -0.126 175.383 175.510 -0.001 0.000 1.311 178 N CA 0.124 53.173 53.050 -0.002 0.000 0.897 178 N CB 0.225 38.711 38.487 -0.002 0.000 1.137 178 N HN 0.565 nan 8.380 nan 0.000 0.449 179 Q N 1.093 120.892 119.800 -0.002 0.000 2.368 179 Q HA 0.215 4.554 4.340 -0.000 0.000 0.256 179 Q C -1.083 174.915 176.000 -0.002 0.000 0.980 179 Q CA -0.612 55.191 55.803 -0.001 0.000 0.887 179 Q CB 0.672 29.409 28.738 -0.001 0.000 1.221 179 Q HN 0.426 nan 8.270 nan 0.000 0.458 180 V N 6.712 126.625 119.914 -0.002 0.000 2.165 180 V HA -0.091 4.029 4.120 -0.000 0.000 0.233 180 V C 0.902 176.994 176.094 -0.004 0.000 1.424 180 V CA 0.139 62.437 62.300 -0.004 0.000 1.454 180 V CB -1.697 30.124 31.823 -0.004 0.000 1.497 180 V HN 0.611 nan 8.190 nan 0.000 0.494 181 K N 2.446 122.844 120.400 -0.004 0.000 2.402 181 K HA 0.228 4.548 4.320 -0.000 0.000 0.265 181 K C 0.370 176.967 176.600 -0.004 0.000 0.978 181 K CA 0.492 56.777 56.287 -0.003 0.000 0.913 181 K CB 0.390 32.889 32.500 -0.003 0.000 0.954 181 K HN 0.395 nan 8.250 nan 0.000 0.511 182 A N 0.108 122.925 122.820 -0.004 0.000 2.507 182 A HA 0.407 4.726 4.320 -0.000 0.000 0.235 182 A C 1.375 178.955 177.584 -0.006 0.000 1.070 182 A CA 0.968 53.002 52.037 -0.005 0.000 0.768 182 A CB -0.862 18.136 19.000 -0.004 0.000 1.011 182 A HN 1.399 nan 8.150 nan 0.000 0.502 183 G N 0.149 108.944 108.800 -0.008 0.000 2.475 183 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.209 183 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.209 183 G C 0.279 175.172 174.900 -0.013 0.000 1.127 183 G CA 0.275 45.369 45.100 -0.010 0.000 0.681 183 G HN 0.800 nan 8.290 nan 0.000 0.517 184 E N 0.221 120.414 120.200 -0.012 0.000 2.369 184 E HA 0.450 4.800 4.350 -0.000 0.000 0.255 184 E C 0.277 176.866 176.600 -0.018 0.000 1.172 184 E CA -0.317 56.074 56.400 -0.014 0.000 0.932 184 E CB 1.225 30.918 29.700 -0.012 0.000 1.040 184 E HN 0.562 nan 8.360 nan 0.000 0.454 185 C N 4.127 123.413 119.300 -0.023 0.000 2.246 185 C HA 0.404 4.863 4.460 -0.000 0.000 0.329 185 C C -2.090 172.883 174.990 -0.028 0.000 1.221 185 C CA -1.815 57.185 59.018 -0.030 0.000 1.697 185 C CB -0.590 27.127 27.740 -0.039 0.000 2.312 185 C HN 0.389 nan 8.230 nan 0.000 0.509 186 P HA 0.218 nan 4.420 nan 0.000 0.268 186 P C -2.502 174.786 177.300 -0.020 0.000 1.204 186 P CA -0.643 62.447 63.100 -0.017 0.000 0.768 186 P CB 0.193 31.887 31.700 -0.010 0.000 0.842 187 P HA 0.080 nan 4.420 nan 0.000 0.268 187 P C -0.352 176.955 177.300 0.012 0.000 1.205 187 P CA 0.005 63.100 63.100 -0.008 0.000 0.771 187 P CB 0.635 32.337 31.700 0.003 0.000 0.858 188 L N 1.782 123.014 121.223 0.015 0.000 2.416 188 L HA 0.533 4.873 4.340 -0.000 0.000 0.262 188 L C 0.729 177.728 176.870 0.214 0.000 1.093 188 L CA -0.135 54.762 54.840 0.095 0.000 0.801 188 L CB 0.262 42.299 42.059 -0.038 0.000 1.191 188 L HN 0.585 nan 8.230 nan 0.000 0.459 189 E N 0.821 121.200 120.200 0.298 0.000 2.354 189 E HA 0.234 4.584 4.350 -0.000 0.000 0.283 189 E C -1.798 174.829 176.600 0.045 0.000 0.938 189 E CA -0.771 55.754 56.400 0.208 0.000 0.777 189 E CB 2.771 32.510 29.700 0.065 0.000 1.222 189 E HN 0.370 nan 8.360 nan 0.000 0.423 190 L N 5.409 126.510 121.223 -0.204 0.000 2.325 190 L HA 0.322 4.661 4.340 -0.000 0.000 0.284 190 L C -1.103 175.501 176.870 -0.444 0.000 1.089 190 L CA 0.138 54.571 54.840 -0.677 0.000 0.836 190 L CB 0.113 41.601 42.059 -0.951 0.000 1.184 190 L HN 0.405 nan 8.230 nan 0.000 0.444 191 L N 4.924 125.829 121.223 -0.530 0.000 2.325 191 L HA 0.515 4.855 4.340 -0.000 0.000 0.279 191 L C 0.215 176.938 176.870 -0.246 0.000 1.054 191 L CA -0.594 54.020 54.840 -0.377 0.000 0.804 191 L CB 0.801 42.638 42.059 -0.370 0.000 1.200 191 L HN 0.535 nan 8.230 nan 0.000 0.436 192 N N 0.502 119.120 118.700 -0.137 0.000 2.482 192 N HA 0.611 5.351 4.740 -0.000 0.000 0.279 192 N C -0.473 175.008 175.510 -0.049 0.000 1.182 192 N CA -0.202 52.790 53.050 -0.097 0.000 0.969 192 N CB 2.100 40.530 38.487 -0.095 0.000 1.201 192 N HN 0.694 nan 8.380 nan 0.000 0.523 193 T N -1.448 113.066 114.554 -0.065 0.000 2.827 193 T HA 0.251 4.601 4.350 -0.000 0.000 0.328 193 T C -1.686 172.918 174.700 -0.161 0.000 1.598 193 T CA -0.568 61.495 62.100 -0.062 0.000 1.043 193 T CB 0.483 69.359 68.868 0.014 0.000 1.447 193 T HN 0.010 nan 8.240 nan 0.000 0.491 194 V N 4.250 124.019 119.914 -0.242 0.000 2.408 194 V HA 0.389 4.509 4.120 -0.000 0.000 0.267 194 V C 0.622 176.520 176.094 -0.327 0.000 1.047 194 V CA -0.548 61.521 62.300 -0.385 0.000 0.937 194 V CB 0.746 32.099 31.823 -0.782 0.000 0.999 194 V HN 0.753 nan 8.190 nan 0.000 0.472 195 L N 6.241 127.286 121.223 -0.296 0.000 2.513 195 L HA 0.176 4.516 4.340 -0.000 0.000 0.272 195 L C 0.333 177.154 176.870 -0.081 0.000 1.187 195 L CA 0.607 55.264 54.840 -0.306 0.000 0.895 195 L CB 0.234 42.057 42.059 -0.393 0.000 1.147 195 L HN 0.675 nan 8.230 nan 0.000 0.483 196 Q N 1.979 121.730 119.800 -0.082 0.000 2.375 196 Q HA 0.215 4.554 4.340 -0.000 0.000 0.271 196 Q C -1.004 175.046 176.000 0.084 0.000 1.074 196 Q CA -0.958 54.883 55.803 0.065 0.000 0.808 196 Q CB 2.389 31.064 28.738 -0.104 0.000 1.327 196 Q HN 0.496 nan 8.270 nan 0.000 0.441 197 D N 0.521 121.033 120.400 0.187 0.000 2.581 197 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 197 D C 0.812 177.162 176.300 0.084 0.000 1.145 197 D CA 2.178 56.253 54.000 0.125 0.000 0.866 197 D CB 0.166 41.051 40.800 0.142 0.000 1.151 197 D HN 0.723 nan 8.370 nan 0.000 0.500 198 G N 2.931 111.792 108.800 0.100 0.000 2.163 198 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.213 198 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.213 198 G C -0.095 174.873 174.900 0.113 0.000 0.991 198 G CA -0.097 45.059 45.100 0.093 0.000 0.653 198 G HN 0.603 nan 8.290 nan 0.000 0.518 199 D N 0.518 121.008 120.400 0.151 0.000 2.340 199 D HA 0.602 5.241 4.640 -0.000 0.000 0.251 199 D C 0.916 177.396 176.300 0.300 0.000 1.080 199 D CA -0.128 53.953 54.000 0.136 0.000 0.971 199 D CB 0.680 41.466 40.800 -0.023 0.000 1.137 199 D HN 0.019 nan 8.370 nan 0.000 0.475 200 M N 1.132 120.880 119.600 0.247 0.000 2.264 200 M HA 0.232 4.712 4.480 -0.000 0.000 0.352 200 M C 0.146 176.675 176.300 0.381 0.000 1.173 200 M CA -0.937 54.522 55.300 0.264 0.000 1.075 200 M CB 1.124 33.825 32.600 0.168 0.000 1.621 200 M HN 0.109 nan 8.290 nan 0.000 0.457 201 V N 0.205 120.291 119.914 0.287 0.000 3.441 201 V HA 0.234 4.354 4.120 -0.000 0.000 0.300 201 V C 0.525 176.759 176.094 0.235 0.000 1.091 201 V CA -0.996 61.461 62.300 0.263 0.000 1.099 201 V CB 0.107 31.925 31.823 -0.007 0.000 1.138 201 V HN 0.923 nan 8.190 nan 0.000 0.471 202 D N 0.468 121.033 120.400 0.276 0.000 2.424 202 D HA 0.004 4.644 4.640 -0.000 0.000 0.244 202 D C 0.829 177.186 176.300 0.094 0.000 1.134 202 D CA 0.498 54.638 54.000 0.234 0.000 0.881 202 D CB 1.623 42.602 40.800 0.299 0.000 1.191 202 D HN 0.906 nan 8.370 nan 0.000 0.445 203 T N -1.592 112.944 114.554 -0.029 0.000 3.054 203 T HA 0.393 4.743 4.350 -0.000 0.000 0.255 203 T C 1.326 175.924 174.700 -0.169 0.000 1.035 203 T CA 0.359 62.281 62.100 -0.297 0.000 0.941 203 T CB 0.170 68.299 68.868 -1.232 0.000 1.026 203 T HN 0.825 nan 8.240 nan 0.000 0.533 204 G N 0.586 109.375 108.800 -0.018 0.000 2.227 204 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.168 204 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.168 204 G C 0.166 174.951 174.900 -0.191 0.000 1.006 204 G CA -0.301 44.750 45.100 -0.083 0.000 0.684 204 G HN 0.442 nan 8.290 nan 0.000 0.489 205 F N 2.108 122.102 119.950 0.073 0.000 2.645 205 F HA 0.489 5.015 4.527 -0.000 0.000 0.300 205 F C 1.656 177.596 175.800 0.233 0.000 1.115 205 F CA 0.983 59.097 58.000 0.190 0.000 1.355 205 F CB 0.688 39.845 39.000 0.263 0.000 1.026 205 F HN 0.720 nan 8.300 nan 0.000 0.536 206 G N 0.836 109.801 108.800 0.274 0.000 2.760 206 G HA2 0.078 4.038 3.960 -0.000 0.000 0.246 206 G HA3 0.078 4.038 3.960 -0.000 0.000 0.246 206 G C -0.620 174.462 174.900 0.303 0.000 1.359 206 G CA -0.658 44.583 45.100 0.234 0.000 0.861 206 G HN 0.622 nan 8.290 nan 0.000 0.541 207 A N 0.266 123.258 122.820 0.287 0.000 2.412 207 A HA 0.842 5.162 4.320 -0.000 0.000 0.334 207 A C 0.334 178.093 177.584 0.293 0.000 1.419 207 A CA 0.902 53.122 52.037 0.305 0.000 0.930 207 A CB -0.297 18.880 19.000 0.295 0.000 1.149 207 A HN 2.190 nan 8.150 nan 0.000 0.515 208 M N 0.443 120.176 119.600 0.222 0.000 3.517 208 M HA 0.599 5.079 4.480 -0.000 0.000 0.293 208 M C -2.055 174.240 176.300 -0.008 0.000 1.404 208 M CA -0.746 54.616 55.300 0.103 0.000 0.837 208 M CB 1.631 34.188 32.600 -0.071 0.000 1.756 208 M HN 0.228 nan 8.290 nan 0.000 0.474 209 D N 0.614 120.985 120.400 -0.047 0.000 2.464 209 D HA 0.364 5.004 4.640 -0.000 0.000 0.243 209 D C -0.446 175.841 176.300 -0.023 0.000 1.104 209 D CA -0.331 53.700 54.000 0.051 0.000 0.883 209 D CB 0.534 41.417 40.800 0.139 0.000 1.050 209 D HN 0.578 nan 8.370 nan 0.000 0.524 210 F N 1.042 121.018 119.950 0.043 0.000 2.407 210 F HA -0.088 4.438 4.527 -0.000 0.000 0.299 210 F C 2.504 178.309 175.800 0.008 0.000 1.097 210 F CA 0.795 58.805 58.000 0.017 0.000 1.422 210 F CB -0.407 38.584 39.000 -0.013 0.000 1.067 210 F HN 0.305 nan 8.300 nan 0.000 0.539 211 T N -2.156 112.506 114.554 0.181 0.000 2.770 211 T HA -0.173 4.177 4.350 -0.000 0.000 0.263 211 T C 2.135 176.875 174.700 0.066 0.000 1.039 211 T CA 1.781 63.943 62.100 0.103 0.000 1.142 211 T CB -1.073 67.843 68.868 0.080 0.000 0.868 211 T HN 0.390 nan 8.240 nan 0.000 0.435 212 T N 0.044 114.634 114.554 0.060 0.000 2.942 212 T HA 0.129 4.479 4.350 -0.000 0.000 0.265 212 T C 1.739 176.451 174.700 0.021 0.000 1.062 212 T CA 0.336 62.460 62.100 0.040 0.000 1.139 212 T CB -0.360 68.537 68.868 0.048 0.000 0.883 212 T HN 0.100 nan 8.240 nan 0.000 0.468 213 L N 0.445 121.670 121.223 0.004 0.000 2.463 213 L HA 0.450 4.790 4.340 -0.000 0.000 0.219 213 L C 0.609 177.460 176.870 -0.032 0.000 1.088 213 L CA 0.818 55.639 54.840 -0.032 0.000 0.849 213 L CB -0.295 41.712 42.059 -0.086 0.000 1.012 213 L HN 0.371 nan 8.230 nan 0.000 0.468 214 Q N -1.600 118.201 119.800 0.001 0.000 2.363 214 Q HA 0.498 4.838 4.340 -0.000 0.000 0.265 214 Q C 0.699 176.710 176.000 0.018 0.000 1.032 214 Q CA 0.101 55.912 55.803 0.012 0.000 0.746 214 Q CB 1.904 30.668 28.738 0.044 0.000 1.237 214 Q HN 0.144 nan 8.270 nan 0.000 0.475 215 A N 3.106 125.926 122.820 0.000 0.000 1.854 215 A HA -0.181 4.139 4.320 -0.000 0.000 0.214 215 A C 1.706 179.288 177.584 -0.003 0.000 1.192 215 A CA 1.693 53.730 52.037 0.000 0.000 0.611 215 A CB -0.392 18.603 19.000 -0.007 0.000 0.832 215 A HN 0.862 nan 8.150 nan 0.000 0.442 216 N N 1.322 120.010 118.700 -0.019 0.000 2.430 216 N HA -0.258 4.482 4.740 -0.000 0.000 0.186 216 N C 0.664 176.159 175.510 -0.027 0.000 1.032 216 N CA 1.573 54.605 53.050 -0.029 0.000 0.893 216 N CB -0.795 37.660 38.487 -0.055 0.000 0.957 216 N HN 0.731 nan 8.380 nan 0.000 0.442 217 K N -1.176 119.214 120.400 -0.015 0.000 3.010 217 K HA -0.202 4.118 4.320 -0.000 0.000 0.255 217 K C -0.436 176.144 176.600 -0.033 0.000 0.929 217 K CA 1.151 57.438 56.287 0.000 0.000 0.687 217 K CB -2.241 30.280 32.500 0.034 0.000 1.304 217 K HN 0.196 nan 8.250 nan 0.000 0.479 218 S N 0.297 115.898 115.700 -0.165 0.000 2.733 218 S HA 0.022 4.492 4.470 -0.000 0.000 0.247 218 S C -0.059 174.212 174.600 -0.549 0.000 1.043 218 S CA 0.122 58.064 58.200 -0.430 0.000 1.066 218 S CB 0.428 63.464 63.200 -0.275 0.000 1.045 218 S HN 0.649 nan 8.310 nan 0.000 0.586 219 D N 1.788 121.974 120.400 -0.356 0.000 2.615 219 D HA 0.295 4.934 4.640 -0.000 0.000 0.236 219 D C 0.021 176.058 176.300 -0.438 0.000 1.233 219 D CA -0.392 53.374 54.000 -0.391 0.000 0.829 219 D CB 0.026 40.610 40.800 -0.360 0.000 1.024 219 D HN 0.201 nan 8.370 nan 0.000 0.490 220 V N -5.411 114.252 119.914 -0.419 0.000 3.167 220 V HA 0.551 4.671 4.120 -0.000 0.000 0.293 220 V C -3.078 172.870 176.094 -0.242 0.000 1.379 220 V CA -2.366 59.625 62.300 -0.515 0.000 1.019 220 V CB 1.522 32.912 31.823 -0.722 0.000 1.115 220 V HN -0.280 nan 8.190 nan 0.000 0.442 221 P HA 0.106 nan 4.420 nan 0.000 0.269 221 P C 1.016 178.295 177.300 -0.036 0.000 1.205 221 P CA -0.103 62.969 63.100 -0.046 0.000 0.780 221 P CB 0.377 32.022 31.700 -0.092 0.000 0.858 222 L N 2.176 123.368 121.223 -0.052 0.000 2.043 222 L HA -0.202 4.137 4.340 -0.000 0.000 0.212 222 L C 1.746 178.629 176.870 0.021 0.000 1.075 222 L CA 2.309 57.142 54.840 -0.012 0.000 0.752 222 L CB -2.103 39.947 42.059 -0.015 0.000 0.891 222 L HN 0.502 nan 8.230 nan 0.000 0.432 223 D N -0.105 120.294 120.400 -0.001 0.000 2.389 223 D HA -0.201 4.439 4.640 -0.000 0.000 0.221 223 D C 1.559 177.901 176.300 0.071 0.000 0.974 223 D CA 1.294 55.360 54.000 0.110 0.000 0.923 223 D CB -0.368 40.547 40.800 0.191 0.000 0.892 223 D HN 0.653 nan 8.370 nan 0.000 0.518 224 I N -3.472 117.074 120.570 -0.040 0.000 4.864 224 I HA 0.193 4.363 4.170 -0.000 0.000 0.337 224 I C 1.771 177.688 176.117 -0.334 0.000 1.283 224 I CA -0.313 60.873 61.300 -0.190 0.000 1.350 224 I CB -0.144 37.618 38.000 -0.398 0.000 1.412 224 I HN 0.091 nan 8.210 nan 0.000 0.487 225 C N 1.333 120.483 119.300 -0.251 0.000 2.400 225 C HA 0.008 4.468 4.460 -0.000 0.000 0.291 225 C C 2.135 177.124 174.990 -0.002 0.000 1.372 225 C CA 0.744 59.671 59.018 -0.152 0.000 1.800 225 C CB -2.034 25.687 27.740 -0.031 0.000 1.869 225 C HN 0.741 nan 8.230 nan 0.000 0.533 226 S N -0.798 114.910 115.700 0.013 0.000 2.855 226 S HA 0.454 4.924 4.470 -0.000 0.000 0.249 226 S C 0.081 174.726 174.600 0.074 0.000 1.033 226 S CA -0.091 58.145 58.200 0.061 0.000 1.038 226 S CB -0.049 63.178 63.200 0.045 0.000 0.960 226 S HN 0.602 nan 8.310 nan 0.000 0.548 227 S N 0.834 116.585 115.700 0.084 0.000 2.874 227 S HA 0.690 5.160 4.470 -0.000 0.000 0.318 227 S C -0.745 173.956 174.600 0.168 0.000 1.109 227 S CA -0.918 57.338 58.200 0.093 0.000 0.878 227 S CB 0.682 63.921 63.200 0.066 0.000 1.307 227 S HN 0.402 nan 8.310 nan 0.000 0.592 228 I N 0.976 121.609 120.570 0.104 0.000 2.389 228 I HA 0.328 4.497 4.170 -0.000 0.000 0.288 228 I C -1.019 175.171 176.117 0.122 0.000 0.999 228 I CA -0.398 60.944 61.300 0.070 0.000 1.129 228 I CB 1.276 39.153 38.000 -0.204 0.000 1.288 228 I HN 0.448 nan 8.210 nan 0.000 0.444 229 C N 6.491 125.957 119.300 0.276 0.000 2.303 229 C HA 0.318 4.778 4.460 -0.000 0.000 0.341 229 C C 0.589 175.718 174.990 0.232 0.000 1.244 229 C CA -0.585 58.596 59.018 0.271 0.000 1.765 229 C CB -0.322 27.641 27.740 0.372 0.000 2.379 229 C HN 0.675 nan 8.230 nan 0.000 0.530 230 K N 2.108 122.630 120.400 0.204 0.000 2.095 230 K HA 0.479 4.799 4.320 -0.000 0.000 0.252 230 K C -1.156 175.621 176.600 0.295 0.000 0.977 230 K CA -0.431 55.944 56.287 0.147 0.000 0.900 230 K CB 1.462 33.899 32.500 -0.105 0.000 1.060 230 K HN 0.652 nan 8.250 nan 0.000 0.449 231 Y N 1.940 122.314 120.300 0.124 0.000 2.322 231 Y HA 0.268 4.817 4.550 -0.000 0.000 0.324 231 Y C -2.627 173.290 175.900 0.029 0.000 1.027 231 Y CA -2.465 55.730 58.100 0.158 0.000 1.179 231 Y CB 1.496 40.043 38.460 0.145 0.000 1.136 231 Y HN 0.425 nan 8.280 nan 0.000 0.449 232 P HA -0.109 nan 4.420 nan 0.000 0.261 232 P C -0.443 176.553 177.300 -0.506 0.000 1.165 232 P CA 0.677 63.408 63.100 -0.614 0.000 0.759 232 P CB 0.543 31.579 31.700 -1.107 0.000 0.772 233 D N 3.008 123.215 120.400 -0.323 0.000 2.713 233 D HA 0.015 4.655 4.640 -0.000 0.000 0.229 233 D C 0.740 176.935 176.300 -0.175 0.000 1.136 233 D CA -0.127 53.789 54.000 -0.139 0.000 1.010 233 D CB -0.394 40.331 40.800 -0.125 0.000 1.084 233 D HN 0.301 nan 8.370 nan 0.000 0.495 234 Y N 0.633 120.885 120.300 -0.081 0.000 2.139 234 Y HA -0.266 4.284 4.550 -0.000 0.000 0.282 234 Y C 2.329 178.157 175.900 -0.120 0.000 1.179 234 Y CA 0.990 58.989 58.100 -0.168 0.000 1.161 234 Y CB -0.160 38.234 38.460 -0.110 0.000 0.970 234 Y HN 0.310 nan 8.280 nan 0.000 0.511 235 L N -0.200 121.088 121.223 0.109 0.000 2.017 235 L HA -0.260 4.079 4.340 -0.000 0.000 0.208 235 L C 2.587 179.461 176.870 0.008 0.000 1.073 235 L CA 1.612 56.489 54.840 0.062 0.000 0.745 235 L CB -0.444 41.657 42.059 0.069 0.000 0.894 235 L HN 0.188 nan 8.230 nan 0.000 0.432 236 K N 0.120 120.506 120.400 -0.024 0.000 1.973 236 K HA -0.210 4.109 4.320 -0.000 0.000 0.212 236 K C 2.178 178.744 176.600 -0.057 0.000 1.047 236 K CA 1.836 58.096 56.287 -0.044 0.000 0.937 236 K CB -0.131 32.329 32.500 -0.067 0.000 0.721 236 K HN 0.150 nan 8.250 nan 0.000 0.440 237 M N 0.234 119.773 119.600 -0.102 0.000 2.192 237 M HA -0.203 4.277 4.480 -0.000 0.000 0.259 237 M C 2.128 178.382 176.300 -0.077 0.000 1.071 237 M CA 1.351 56.581 55.300 -0.118 0.000 1.082 237 M CB -0.413 32.068 32.600 -0.199 0.000 1.373 237 M HN 0.019 nan 8.290 nan 0.000 0.408 238 V N -0.584 119.292 119.914 -0.064 0.000 2.407 238 V HA -0.138 3.982 4.120 -0.000 0.000 0.245 238 V C 2.255 178.359 176.094 0.018 0.000 1.041 238 V CA 1.767 64.050 62.300 -0.027 0.000 1.040 238 V CB -0.104 31.713 31.823 -0.010 0.000 0.671 238 V HN 0.412 nan 8.190 nan 0.000 0.455 239 S N -0.762 114.947 115.700 0.013 0.000 2.555 239 S HA -0.052 4.418 4.470 -0.000 0.000 0.230 239 S C 0.904 175.524 174.600 0.033 0.000 0.978 239 S CA 0.112 58.328 58.200 0.027 0.000 0.934 239 S CB -0.360 62.852 63.200 0.020 0.000 0.766 239 S HN 0.768 nan 8.310 nan 0.000 0.533 240 E N 2.537 122.754 120.200 0.029 0.000 2.413 240 E HA 0.006 4.355 4.350 -0.000 0.000 0.263 240 E C -1.348 175.297 176.600 0.075 0.000 1.015 240 E CA -1.387 55.037 56.400 0.041 0.000 0.916 240 E CB 0.706 30.428 29.700 0.037 0.000 0.947 240 E HN 0.056 nan 8.360 nan 0.000 0.440 241 P HA -0.193 nan 4.420 nan 0.000 0.215 241 P C 0.666 177.946 177.300 -0.033 0.000 1.153 241 P CA 1.542 64.611 63.100 -0.050 0.000 0.853 241 P CB -0.060 31.516 31.700 -0.206 0.000 0.788 242 Y N -0.126 120.256 120.300 0.136 0.000 2.397 242 Y HA 0.270 4.819 4.550 -0.000 0.000 0.292 242 Y C 1.626 177.693 175.900 0.278 0.000 1.115 242 Y CA 0.815 59.034 58.100 0.198 0.000 1.208 242 Y CB -0.647 37.892 38.460 0.132 0.000 1.046 242 Y HN 0.015 nan 8.280 nan 0.000 0.552 243 G N 1.325 110.316 108.800 0.317 0.000 2.422 243 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.290 243 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.290 243 G C -0.103 174.943 174.900 0.243 0.000 1.059 243 G CA 0.428 45.670 45.100 0.237 0.000 1.242 243 G HN 0.394 nan 8.290 nan 0.000 0.520 244 D N 0.090 120.579 120.400 0.150 0.000 2.422 244 D HA 0.093 4.733 4.640 -0.000 0.000 0.218 244 D C 2.353 178.559 176.300 -0.156 0.000 1.047 244 D CA 0.536 54.593 54.000 0.095 0.000 0.885 244 D CB 0.140 41.029 40.800 0.147 0.000 1.035 244 D HN 0.481 nan 8.370 nan 0.000 0.502 245 M N 0.506 120.021 119.600 -0.142 0.000 2.156 245 M HA -0.024 4.455 4.480 -0.000 0.000 0.264 245 M C -0.245 175.870 176.300 -0.309 0.000 1.067 245 M CA 1.303 56.472 55.300 -0.218 0.000 1.131 245 M CB 0.302 32.798 32.600 -0.173 0.000 1.368 245 M HN -0.009 nan 8.290 nan 0.000 0.416 246 L N -3.018 118.032 121.223 -0.288 0.000 2.526 246 L HA 0.443 4.782 4.340 -0.000 0.000 0.263 246 L C -1.011 175.749 176.870 -0.183 0.000 0.943 246 L CA -0.874 53.758 54.840 -0.347 0.000 0.859 246 L CB 0.735 42.679 42.059 -0.192 0.000 1.313 246 L HN 0.130 nan 8.230 nan 0.000 0.406 247 F N 1.132 121.205 119.950 0.204 0.000 2.684 247 F HA 0.770 5.297 4.527 -0.000 0.000 0.298 247 F C -0.382 175.651 175.800 0.389 0.000 1.120 247 F CA -1.426 56.720 58.000 0.243 0.000 1.332 247 F CB -0.338 38.783 39.000 0.202 0.000 0.986 247 F HN 0.418 nan 8.300 nan 0.000 0.524 248 F N 1.182 121.360 119.950 0.381 0.000 2.765 248 F HA 0.536 5.063 4.527 -0.000 0.000 0.313 248 F C -1.885 174.140 175.800 0.374 0.000 1.136 248 F CA -1.776 56.424 58.000 0.334 0.000 0.952 248 F CB 1.002 40.176 39.000 0.291 0.000 1.268 248 F HN 0.120 nan 8.300 nan 0.000 0.441 249 Y N 2.969 122.768 120.300 -0.835 0.000 2.721 249 Y HA 0.702 5.251 4.550 -0.000 0.000 0.357 249 Y C -2.589 172.956 175.900 -0.593 0.000 1.183 249 Y CA -1.715 56.106 58.100 -0.464 0.000 1.231 249 Y CB 0.949 39.370 38.460 -0.066 0.000 1.390 249 Y HN 0.644 nan 8.280 nan 0.000 0.488 250 L N 3.648 124.689 121.223 -0.303 0.000 2.505 250 L HA 0.675 5.014 4.340 -0.000 0.000 0.266 250 L C -1.095 175.717 176.870 -0.097 0.000 0.954 250 L CA -0.903 53.726 54.840 -0.353 0.000 0.852 250 L CB 2.535 44.374 42.059 -0.367 0.000 1.282 250 L HN 0.836 nan 8.230 nan 0.000 0.403 251 R N 1.805 122.239 120.500 -0.110 0.000 2.778 251 R HA 0.915 5.255 4.340 -0.000 0.000 0.277 251 R C -0.767 175.489 176.300 -0.074 0.000 0.977 251 R CA -1.058 55.022 56.100 -0.034 0.000 0.950 251 R CB 2.110 32.380 30.300 -0.049 0.000 1.165 251 R HN 0.446 nan 8.270 nan 0.000 0.474 252 R N 1.143 121.619 120.500 -0.040 0.000 2.569 252 R HA 0.147 4.486 4.340 -0.000 0.000 0.293 252 R C -1.522 174.782 176.300 0.006 0.000 1.186 252 R CA -0.310 55.766 56.100 -0.040 0.000 0.956 252 R CB 1.222 31.474 30.300 -0.079 0.000 1.196 252 R HN 0.954 nan 8.270 nan 0.000 0.444 253 E N 3.494 123.713 120.200 0.031 0.000 2.288 253 E HA 0.468 4.817 4.350 -0.000 0.000 0.268 253 E C -1.391 175.240 176.600 0.053 0.000 0.885 253 E CA -1.071 55.368 56.400 0.065 0.000 0.767 253 E CB 2.580 32.355 29.700 0.124 0.000 1.220 253 E HN 0.542 nan 8.360 nan 0.000 0.427 254 Q N 2.486 122.321 119.800 0.058 0.000 2.386 254 Q HA 0.600 4.940 4.340 -0.000 0.000 0.274 254 Q C -1.202 174.832 176.000 0.056 0.000 1.011 254 Q CA -0.976 54.861 55.803 0.056 0.000 0.867 254 Q CB 2.349 31.120 28.738 0.055 0.000 1.409 254 Q HN 0.654 nan 8.270 nan 0.000 0.395 255 M N 2.521 122.157 119.600 0.059 0.000 2.790 255 M HA 0.681 5.160 4.480 -0.000 0.000 0.272 255 M C -2.129 174.182 176.300 0.019 0.000 1.168 255 M CA -0.533 54.768 55.300 0.002 0.000 0.829 255 M CB 2.146 34.733 32.600 -0.023 0.000 1.675 255 M HN 0.984 nan 8.290 nan 0.000 0.505 256 F N 0.519 120.482 119.950 0.021 0.000 2.869 256 F HA 0.813 5.340 4.527 -0.000 0.000 0.325 256 F C -1.753 174.046 175.800 -0.002 0.000 1.184 256 F CA -0.972 57.029 58.000 0.002 0.000 0.951 256 F CB 0.512 39.510 39.000 -0.003 0.000 1.421 256 F HN 0.216 nan 8.300 nan 0.000 0.501 257 V N 2.552 122.604 119.914 0.230 0.000 2.270 257 V HA 0.404 4.523 4.120 -0.000 0.000 0.263 257 V C 0.916 177.130 176.094 0.199 0.000 1.066 257 V CA -0.252 62.096 62.300 0.079 0.000 0.857 257 V CB 0.074 31.942 31.823 0.074 0.000 1.099 257 V HN 0.932 nan 8.190 nan 0.000 0.476 258 R N 3.167 123.705 120.500 0.063 0.000 2.055 258 R HA 0.030 4.370 4.340 -0.000 0.000 0.228 258 R C 0.527 176.895 176.300 0.113 0.000 1.143 258 R CA 1.608 57.860 56.100 0.253 0.000 0.945 258 R CB -0.070 30.326 30.300 0.159 0.000 0.841 258 R HN 0.727 nan 8.270 nan 0.000 0.429 259 H N -1.927 117.082 119.070 -0.101 0.000 2.812 259 H HA 0.533 5.089 4.556 -0.000 0.000 0.355 259 H C -1.190 173.848 175.328 -0.484 0.000 1.207 259 H CA -0.678 55.163 56.048 -0.346 0.000 1.217 259 H CB 1.563 30.956 29.762 -0.616 0.000 1.874 259 H HN 0.021 nan 8.280 nan 0.000 0.581 260 L N 2.143 123.036 121.223 -0.550 0.000 2.345 260 L HA 0.432 4.772 4.340 -0.000 0.000 0.274 260 L C -1.105 175.382 176.870 -0.638 0.000 0.999 260 L CA -0.272 54.268 54.840 -0.501 0.000 0.849 260 L CB 0.507 42.370 42.059 -0.327 0.000 1.220 260 L HN 0.309 nan 8.230 nan 0.000 0.422 261 F N 0.765 120.502 119.950 -0.356 0.000 2.557 261 F HA 0.415 4.942 4.527 -0.000 0.000 0.336 261 F C 0.528 176.315 175.800 -0.020 0.000 1.058 261 F CA -0.683 57.108 58.000 -0.347 0.000 0.988 261 F CB 1.601 40.145 39.000 -0.759 0.000 1.275 261 F HN 0.406 nan 8.300 nan 0.000 0.488 262 N N 0.942 119.894 118.700 0.421 0.000 2.400 262 N HA 0.286 5.026 4.740 -0.000 0.000 0.288 262 N C -0.637 175.134 175.510 0.435 0.000 1.024 262 N CA -0.771 52.540 53.050 0.434 0.000 0.894 262 N CB 0.894 39.574 38.487 0.323 0.000 1.173 262 N HN 0.368 nan 8.380 nan 0.000 0.487 263 R N 1.028 121.736 120.500 0.347 0.000 2.583 263 R HA 0.467 4.807 4.340 -0.000 0.000 0.268 263 R C -0.316 176.048 176.300 0.107 0.000 1.101 263 R CA -0.307 55.920 56.100 0.210 0.000 1.180 263 R CB 0.772 31.118 30.300 0.076 0.000 1.128 263 R HN 0.522 nan 8.270 nan 0.000 0.568 264 A N -0.601 122.249 122.820 0.049 0.000 2.322 264 A HA 0.756 5.076 4.320 -0.000 0.000 0.327 264 A C -0.136 177.450 177.584 0.004 0.000 1.134 264 A CA -0.016 52.039 52.037 0.030 0.000 0.831 264 A CB 1.486 20.499 19.000 0.021 0.000 1.288 264 A HN 0.792 nan 8.150 nan 0.000 0.472 265 G N -0.390 108.412 108.800 0.004 0.000 2.617 265 G HA2 0.402 4.362 3.960 -0.000 0.000 0.686 265 G HA3 0.402 4.362 3.960 -0.000 0.000 0.686 265 G C -0.057 174.839 174.900 -0.006 0.000 1.214 265 G CA 0.035 45.131 45.100 -0.006 0.000 0.796 265 G HN 2.295 nan 8.290 nan 0.000 0.654 266 T N -1.955 112.595 114.554 -0.007 0.000 2.908 266 T HA 0.408 4.758 4.350 -0.000 0.000 0.325 266 T C 0.668 175.356 174.700 -0.019 0.000 1.092 266 T CA 0.218 62.313 62.100 -0.009 0.000 1.125 266 T CB 1.227 70.091 68.868 -0.007 0.000 1.016 266 T HN 1.574 nan 8.240 nan 0.000 0.550 267 V N 3.992 123.892 119.914 -0.023 0.000 2.432 267 V HA 0.475 4.595 4.120 -0.000 0.000 0.275 267 V C 1.600 177.679 176.094 -0.027 0.000 1.043 267 V CA 0.255 62.535 62.300 -0.034 0.000 0.925 267 V CB 0.765 32.559 31.823 -0.048 0.000 0.985 267 V HN 1.201 nan 8.190 nan 0.000 0.466 268 G N 4.098 112.881 108.800 -0.029 0.000 2.454 268 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.214 268 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.214 268 G C 0.458 175.345 174.900 -0.021 0.000 1.217 268 G CA -0.006 45.080 45.100 -0.023 0.000 0.799 268 G HN 0.727 nan 8.290 nan 0.000 0.538 269 E N 2.015 122.199 120.200 -0.026 0.000 1.932 269 E HA 0.321 4.671 4.350 -0.000 0.000 0.275 269 E C 0.089 176.678 176.600 -0.017 0.000 1.159 269 E CA -0.291 56.097 56.400 -0.020 0.000 0.905 269 E CB 0.370 30.055 29.700 -0.024 0.000 1.059 269 E HN 0.363 nan 8.360 nan 0.000 0.400 270 T N -1.031 113.520 114.554 -0.004 0.000 2.900 270 T HA 0.099 4.449 4.350 -0.000 0.000 0.307 270 T C 0.652 175.366 174.700 0.024 0.000 1.065 270 T CA -0.931 61.172 62.100 0.005 0.000 1.105 270 T CB 0.881 69.761 68.868 0.020 0.000 0.979 270 T HN 0.063 nan 8.240 nan 0.000 0.544 271 V N 4.882 124.815 119.914 0.031 0.000 2.529 271 V HA 0.162 4.282 4.120 -0.000 0.000 0.292 271 V C -1.686 174.522 176.094 0.190 0.000 1.028 271 V CA -1.327 61.020 62.300 0.078 0.000 1.074 271 V CB -0.138 31.671 31.823 -0.023 0.000 0.958 271 V HN 0.831 nan 8.190 nan 0.000 0.481 272 P HA 0.041 nan 4.420 nan 0.000 0.258 272 P C 0.635 178.017 177.300 0.137 0.000 1.187 272 P CA 0.219 63.388 63.100 0.115 0.000 0.767 272 P CB 0.572 32.312 31.700 0.067 0.000 0.770 273 A N 4.244 127.084 122.820 0.033 0.000 2.131 273 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 273 A C 1.476 178.788 177.584 -0.454 0.000 1.158 273 A CA 1.544 53.389 52.037 -0.319 0.000 0.665 273 A CB -0.702 18.174 19.000 -0.206 0.000 0.795 273 A HN 0.609 nan 8.150 nan 0.000 0.460 274 D N -0.779 119.506 120.400 -0.193 0.000 2.324 274 D HA 0.045 4.684 4.640 -0.000 0.000 0.235 274 D C 1.096 177.342 176.300 -0.089 0.000 1.095 274 D CA 0.153 54.066 54.000 -0.145 0.000 0.871 274 D CB -0.085 40.669 40.800 -0.076 0.000 0.906 274 D HN 0.498 nan 8.370 nan 0.000 0.522 275 L N -0.582 120.613 121.223 -0.046 0.000 2.766 275 L HA 0.190 4.530 4.340 -0.000 0.000 0.242 275 L C -0.369 176.603 176.870 0.170 0.000 1.136 275 L CA -0.290 54.599 54.840 0.082 0.000 0.933 275 L CB 0.213 42.364 42.059 0.153 0.000 1.241 275 L HN 0.082 nan 8.230 nan 0.000 0.522 276 Y N -3.099 117.197 120.300 -0.005 0.000 2.638 276 Y HA 0.557 5.107 4.550 -0.000 0.000 0.335 276 Y C -0.932 174.961 175.900 -0.011 0.000 1.155 276 Y CA -1.526 56.569 58.100 -0.008 0.000 1.046 276 Y CB 0.811 39.266 38.460 -0.009 0.000 1.303 276 Y HN -0.244 nan 8.280 nan 0.000 0.460 277 I N 3.564 124.176 120.570 0.070 0.000 2.297 277 I HA 0.192 4.361 4.170 -0.000 0.000 0.291 277 I C -0.246 175.930 176.117 0.098 0.000 1.033 277 I CA -1.002 60.292 61.300 -0.010 0.000 1.253 277 I CB 1.065 39.075 38.000 0.016 0.000 1.396 277 I HN 0.512 nan 8.210 nan 0.000 0.476 278 K N 5.337 125.733 120.400 -0.007 0.000 2.325 278 K HA -0.083 4.237 4.320 -0.000 0.000 0.258 278 K C 0.357 177.010 176.600 0.088 0.000 1.250 278 K CA 0.059 56.395 56.287 0.082 0.000 1.260 278 K CB -0.113 32.392 32.500 0.008 0.000 0.785 278 K HN 0.826 nan 8.250 nan 0.000 0.501 279 G N 2.530 111.400 108.800 0.117 0.000 2.325 279 G HA2 0.110 4.070 3.960 -0.000 0.000 0.298 279 G HA3 0.110 4.070 3.960 -0.000 0.000 0.298 279 G C 0.054 174.975 174.900 0.035 0.000 1.134 279 G CA -0.407 44.721 45.100 0.047 0.000 0.876 279 G HN 0.470 nan 8.290 nan 0.000 0.452 280 T N 1.043 115.615 114.554 0.030 0.000 2.903 280 T HA 0.306 4.656 4.350 -0.000 0.000 0.314 280 T C 0.870 175.595 174.700 0.043 0.000 1.078 280 T CA 1.169 63.291 62.100 0.037 0.000 1.114 280 T CB -0.104 68.784 68.868 0.034 0.000 0.987 280 T HN 1.160 nan 8.240 nan 0.000 0.548 281 T N 1.715 116.307 114.554 0.064 0.000 3.460 281 T HA 0.126 4.476 4.350 -0.000 0.000 0.416 281 T C -0.032 174.746 174.700 0.130 0.000 0.766 281 T CA 0.590 62.755 62.100 0.108 0.000 2.180 281 T CB -1.884 67.066 68.868 0.137 0.000 1.712 281 T HN 1.438 nan 8.240 nan 0.000 0.723 282 G N 0.099 108.962 108.800 0.106 0.000 2.377 282 G HA2 0.499 4.459 3.960 -0.000 0.000 0.297 282 G HA3 0.499 4.459 3.960 -0.000 0.000 0.297 282 G C -0.423 174.530 174.900 0.089 0.000 1.547 282 G CA -0.143 45.033 45.100 0.127 0.000 0.833 282 G HN 0.371 nan 8.290 nan 0.000 0.583 283 T N 1.468 116.084 114.554 0.103 0.000 3.268 283 T HA 0.406 4.756 4.350 -0.000 0.000 0.258 283 T C 0.308 175.027 174.700 0.031 0.000 0.966 283 T CA -0.157 61.981 62.100 0.064 0.000 0.952 283 T CB -0.227 68.680 68.868 0.065 0.000 1.132 283 T HN 1.555 nan 8.240 nan 0.000 0.536 284 L N 3.111 124.321 121.223 -0.021 0.000 3.212 284 L HA -0.115 4.225 4.340 -0.000 0.000 0.540 284 L C -1.650 175.180 176.870 -0.066 0.000 1.001 284 L CA -0.455 54.317 54.840 -0.114 0.000 1.266 284 L CB -0.497 41.446 42.059 -0.193 0.000 1.138 284 L HN 0.259 nan 8.230 nan 0.000 0.581 285 P HA 0.013 nan 4.420 nan 0.000 0.269 285 P C -0.080 177.218 177.300 -0.003 0.000 1.211 285 P CA 0.055 63.180 63.100 0.043 0.000 0.781 285 P CB 0.594 32.338 31.700 0.072 0.000 0.877 286 S N 0.469 116.186 115.700 0.028 0.000 2.558 286 S HA 0.028 4.498 4.470 -0.000 0.000 0.291 286 S C 0.686 175.197 174.600 -0.148 0.000 1.306 286 S CA 0.307 58.488 58.200 -0.031 0.000 1.056 286 S CB -0.613 62.599 63.200 0.021 0.000 0.836 286 S HN 0.516 nan 8.310 nan 0.000 0.504 287 T N 2.861 117.230 114.554 -0.309 0.000 3.182 287 T HA 0.173 4.523 4.350 -0.000 0.000 0.277 287 T C 0.027 174.174 174.700 -0.922 0.000 1.013 287 T CA -0.155 61.513 62.100 -0.721 0.000 0.900 287 T CB -0.060 68.583 68.868 -0.376 0.000 1.098 287 T HN 0.681 nan 8.240 nan 0.000 0.543 288 S N 1.656 117.038 115.700 -0.530 0.000 2.543 288 S HA 0.523 4.993 4.470 -0.000 0.000 0.299 288 S C -0.543 174.013 174.600 -0.074 0.000 1.125 288 S CA -0.848 57.197 58.200 -0.258 0.000 1.098 288 S CB -0.364 62.783 63.200 -0.088 0.000 1.063 288 S HN 0.378 nan 8.310 nan 0.000 0.493 289 Y N 2.532 122.929 120.300 0.162 0.000 2.376 289 Y HA 0.685 5.235 4.550 -0.000 0.000 0.325 289 Y C -0.002 176.089 175.900 0.319 0.000 1.199 289 Y CA -1.422 56.796 58.100 0.197 0.000 1.206 289 Y CB 1.137 39.653 38.460 0.092 0.000 1.229 289 Y HN 0.755 nan 8.280 nan 0.000 0.480 290 F N 1.389 121.521 119.950 0.304 0.000 2.665 290 F HA 0.790 5.316 4.527 -0.000 0.000 0.308 290 F C -3.598 172.336 175.800 0.224 0.000 1.112 290 F CA -2.522 55.621 58.000 0.238 0.000 0.972 290 F CB 2.009 41.182 39.000 0.289 0.000 1.295 290 F HN 0.097 nan 8.300 nan 0.000 0.440 291 P HA 0.385 nan 4.420 nan 0.000 0.298 291 P C -1.380 175.922 177.300 0.005 0.000 1.341 291 P CA -0.510 62.562 63.100 -0.047 0.000 0.988 291 P CB 2.535 34.207 31.700 -0.046 0.000 1.265 292 T N 3.967 118.543 114.554 0.036 0.000 2.744 292 T HA 0.369 4.719 4.350 -0.000 0.000 0.291 292 T C -1.934 172.768 174.700 0.003 0.000 0.957 292 T CA -1.174 61.008 62.100 0.138 0.000 1.002 292 T CB 0.535 69.554 68.868 0.251 0.000 0.919 292 T HN 0.387 nan 8.240 nan 0.000 0.468 293 P HA 0.347 nan 4.420 nan 0.000 0.293 293 P C -0.568 176.608 177.300 -0.207 0.000 1.298 293 P CA -0.493 62.523 63.100 -0.140 0.000 0.757 293 P CB 0.807 32.453 31.700 -0.090 0.000 1.262 294 S N -2.683 112.762 115.700 -0.425 0.000 2.556 294 S HA 0.496 4.966 4.470 -0.000 0.000 0.280 294 S C 0.194 174.565 174.600 -0.381 0.000 1.141 294 S CA -0.240 57.700 58.200 -0.433 0.000 0.883 294 S CB 0.342 63.027 63.200 -0.860 0.000 1.103 294 S HN 0.555 nan 8.310 nan 0.000 0.453 295 G N 1.597 110.337 108.800 -0.101 0.000 3.434 295 G HA2 0.398 4.358 3.960 -0.000 0.000 0.258 295 G HA3 0.398 4.358 3.960 -0.000 0.000 0.258 295 G C 0.854 175.793 174.900 0.066 0.000 1.128 295 G CA 0.821 45.919 45.100 -0.003 0.000 0.792 295 G HN 1.561 nan 8.290 nan 0.000 0.539 296 S N -0.702 115.067 115.700 0.114 0.000 4.157 296 S HA -0.330 4.140 4.470 -0.000 0.000 0.539 296 S C 0.495 175.190 174.600 0.158 0.000 1.854 296 S CA 1.809 60.167 58.200 0.264 0.000 4.235 296 S CB -1.060 62.336 63.200 0.326 0.000 0.383 296 S HN 0.865 nan 8.310 nan 0.000 0.457 297 M N 1.698 121.369 119.600 0.119 0.000 2.322 297 M HA 0.560 5.040 4.480 -0.000 0.000 0.286 297 M C -1.294 175.042 176.300 0.061 0.000 1.111 297 M CA -0.604 54.745 55.300 0.082 0.000 0.941 297 M CB 1.967 34.608 32.600 0.068 0.000 1.671 297 M HN 0.659 nan 8.290 nan 0.000 0.470 298 V N 1.802 121.747 119.914 0.052 0.000 2.481 298 V HA 0.938 5.058 4.120 -0.000 0.000 0.286 298 V C -0.302 175.810 176.094 0.031 0.000 1.042 298 V CA -0.196 62.130 62.300 0.042 0.000 0.928 298 V CB 1.002 32.853 31.823 0.046 0.000 0.986 298 V HN 0.920 nan 8.190 nan 0.000 0.462 299 T N -0.046 114.521 114.554 0.022 0.000 3.109 299 T HA 0.339 4.688 4.350 -0.000 0.000 0.311 299 T C 0.714 175.420 174.700 0.010 0.000 1.011 299 T CA 0.145 62.254 62.100 0.015 0.000 1.026 299 T CB 1.410 70.285 68.868 0.012 0.000 1.047 299 T HN 0.692 nan 8.240 nan 0.000 0.448 300 S N 2.379 118.085 115.700 0.010 0.000 2.448 300 S HA -0.194 4.276 4.470 -0.000 0.000 0.247 300 S C 1.489 176.090 174.600 0.002 0.000 1.033 300 S CA 1.781 59.986 58.200 0.008 0.000 1.003 300 S CB -0.403 62.801 63.200 0.006 0.000 0.786 300 S HN 0.842 nan 8.310 nan 0.000 0.495 301 D N 1.716 122.116 120.400 0.001 0.000 2.117 301 D HA -0.023 4.616 4.640 -0.000 0.000 0.198 301 D C 2.309 178.603 176.300 -0.010 0.000 0.982 301 D CA 1.153 55.151 54.000 -0.003 0.000 0.828 301 D CB -0.362 40.437 40.800 -0.002 0.000 0.967 301 D HN 0.473 nan 8.370 nan 0.000 0.464 302 A N 1.667 124.480 122.820 -0.013 0.000 1.927 302 A HA -0.187 4.132 4.320 -0.000 0.000 0.220 302 A C 1.232 178.785 177.584 -0.052 0.000 1.185 302 A CA 1.035 53.056 52.037 -0.027 0.000 0.639 302 A CB -0.559 18.432 19.000 -0.015 0.000 0.820 302 A HN 0.159 nan 8.150 nan 0.000 0.451 303 Q N -0.205 119.571 119.800 -0.041 0.000 2.618 303 Q HA -0.069 4.270 4.340 -0.000 0.000 0.344 303 Q C 0.915 176.858 176.000 -0.094 0.000 1.073 303 Q CA 0.381 56.144 55.803 -0.067 0.000 1.105 303 Q CB 0.348 29.080 28.738 -0.009 0.000 1.028 303 Q HN 0.686 nan 8.270 nan 0.000 0.397 304 I N 2.810 123.235 120.570 -0.240 0.000 2.480 304 I HA -0.062 4.108 4.170 -0.000 0.000 0.251 304 I C 0.597 176.678 176.117 -0.060 0.000 1.124 304 I CA 0.412 61.567 61.300 -0.241 0.000 1.444 304 I CB 0.271 37.990 38.000 -0.468 0.000 1.098 304 I HN 0.430 nan 8.210 nan 0.000 0.428 305 F N 1.413 121.431 119.950 0.113 0.000 2.228 305 F HA 0.043 4.570 4.527 -0.000 0.000 0.280 305 F C 1.529 177.282 175.800 -0.079 0.000 1.235 305 F CA 0.088 58.110 58.000 0.037 0.000 1.235 305 F CB -0.260 38.740 39.000 0.000 0.000 1.506 305 F HN 0.061 nan 8.300 nan 0.000 0.502 306 N N -0.460 118.282 118.700 0.070 0.000 2.644 306 N HA -0.245 4.495 4.740 -0.000 0.000 0.248 306 N C -1.107 174.318 175.510 -0.141 0.000 1.150 306 N CA 0.918 53.923 53.050 -0.075 0.000 0.727 306 N CB -0.791 37.675 38.487 -0.034 0.000 1.091 306 N HN 0.360 nan 8.380 nan 0.000 0.556 307 K N -0.417 119.844 120.400 -0.231 0.000 2.313 307 K HA 0.553 4.873 4.320 -0.000 0.000 0.235 307 K C -2.671 173.614 176.600 -0.525 0.000 1.035 307 K CA -1.824 54.308 56.287 -0.259 0.000 0.868 307 K CB 1.651 34.087 32.500 -0.106 0.000 1.232 307 K HN -0.165 nan 8.250 nan 0.000 0.459 308 P HA 0.203 nan 4.420 nan 0.000 0.301 308 P C -1.476 175.339 177.300 -0.810 0.000 1.338 308 P CA -0.311 62.335 63.100 -0.757 0.000 0.834 308 P CB 0.397 31.695 31.700 -0.669 0.000 0.967 309 Y N 1.807 121.630 120.300 -0.794 0.000 2.323 309 Y HA 0.368 4.918 4.550 -0.000 0.000 0.331 309 Y C -0.021 175.368 175.900 -0.851 0.000 1.092 309 Y CA -0.896 56.792 58.100 -0.687 0.000 1.150 309 Y CB 1.524 39.644 38.460 -0.566 0.000 1.200 309 Y HN 0.343 nan 8.280 nan 0.000 0.472 310 W N 4.934 126.209 121.300 -0.041 0.000 2.463 310 W HA 0.416 5.076 4.660 -0.000 0.000 0.316 310 W C -0.864 175.594 176.519 -0.100 0.000 1.004 310 W CA -0.950 56.362 57.345 -0.054 0.000 1.309 310 W CB 1.085 30.550 29.460 0.009 0.000 1.288 310 W HN 0.383 nan 8.180 nan 0.000 0.423 311 L N 1.973 123.223 121.223 0.045 0.000 2.533 311 L HA 0.229 4.569 4.340 -0.000 0.000 0.239 311 L C 1.634 178.558 176.870 0.089 0.000 1.376 311 L CA -0.265 54.579 54.840 0.006 0.000 1.240 311 L CB -0.247 41.747 42.059 -0.108 0.000 1.487 311 L HN 0.596 nan 8.230 nan 0.000 0.419 312 Q N 0.294 120.181 119.800 0.145 0.000 2.096 312 Q HA -0.094 4.245 4.340 -0.000 0.000 0.204 312 Q C 0.113 176.161 176.000 0.080 0.000 0.982 312 Q CA 1.126 56.994 55.803 0.109 0.000 0.850 312 Q CB -0.199 28.600 28.738 0.101 0.000 0.901 312 Q HN 0.548 nan 8.270 nan 0.000 0.422 313 R N 0.044 120.602 120.500 0.097 0.000 2.502 313 R HA 0.589 4.928 4.340 -0.000 0.000 0.300 313 R C -1.352 175.022 176.300 0.124 0.000 0.984 313 R CA 0.128 56.281 56.100 0.088 0.000 0.882 313 R CB 2.005 32.353 30.300 0.080 0.000 1.180 313 R HN 0.358 nan 8.270 nan 0.000 0.444 314 A N 1.751 124.643 122.820 0.119 0.000 2.304 314 A HA 0.240 4.560 4.320 -0.000 0.000 0.271 314 A C 0.729 178.424 177.584 0.185 0.000 1.091 314 A CA -0.318 51.833 52.037 0.190 0.000 0.812 314 A CB 0.623 19.741 19.000 0.195 0.000 1.056 314 A HN 0.819 nan 8.150 nan 0.000 0.489 315 Q N 1.166 121.112 119.800 0.244 0.000 2.137 315 Q HA 0.240 4.580 4.340 -0.000 0.000 0.198 315 Q C 0.880 176.954 176.000 0.123 0.000 0.960 315 Q CA 1.364 57.280 55.803 0.189 0.000 0.847 315 Q CB -0.646 28.240 28.738 0.247 0.000 0.915 315 Q HN 0.752 nan 8.270 nan 0.000 0.448 316 G N -0.995 107.900 108.800 0.159 0.000 2.702 316 G HA2 0.274 4.234 3.960 -0.000 0.000 0.254 316 G HA3 0.274 4.234 3.960 -0.000 0.000 0.254 316 G C -0.375 174.560 174.900 0.059 0.000 1.380 316 G CA -0.352 44.807 45.100 0.098 0.000 1.042 316 G HN 0.311 nan 8.290 nan 0.000 0.557 317 H N -0.870 118.329 119.070 0.214 0.000 2.462 317 H HA 0.036 4.592 4.556 -0.000 0.000 0.292 317 H C 0.934 176.423 175.328 0.268 0.000 1.049 317 H CA 0.710 56.897 56.048 0.231 0.000 1.334 317 H CB 0.336 30.249 29.762 0.252 0.000 1.404 317 H HN 0.197 nan 8.280 nan 0.000 0.544 318 N N 1.461 120.412 118.700 0.419 0.000 2.437 318 N HA -0.063 4.677 4.740 -0.000 0.000 0.243 318 N C -0.795 174.858 175.510 0.238 0.000 1.041 318 N CA -0.057 53.229 53.050 0.393 0.000 0.940 318 N CB 0.180 38.981 38.487 0.524 0.000 1.133 318 N HN 0.195 nan 8.380 nan 0.000 0.506 319 N N 2.691 121.445 118.700 0.090 0.000 2.971 319 N HA 0.058 4.798 4.740 -0.000 0.000 0.294 319 N C 0.485 175.840 175.510 -0.258 0.000 1.210 319 N CA 0.255 53.280 53.050 -0.043 0.000 1.157 319 N CB -0.612 37.863 38.487 -0.020 0.000 1.450 319 N HN 0.777 nan 8.380 nan 0.000 0.527 320 G N 2.600 111.015 108.800 -0.642 0.000 2.421 320 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.300 320 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.300 320 G C 0.300 174.916 174.900 -0.472 0.000 0.974 320 G CA -0.209 44.201 45.100 -1.151 0.000 1.062 320 G HN 0.517 nan 8.290 nan 0.000 0.514 321 I N 0.226 120.577 120.570 -0.366 0.000 2.389 321 I HA 0.077 4.246 4.170 -0.000 0.000 0.295 321 I C 1.044 176.893 176.117 -0.448 0.000 1.117 321 I CA -0.564 60.413 61.300 -0.538 0.000 1.317 321 I CB 0.308 37.764 38.000 -0.907 0.000 1.431 321 I HN 0.187 nan 8.210 nan 0.000 0.521 322 C N 5.940 125.118 119.300 -0.203 0.000 3.057 322 C HA 0.143 4.603 4.460 -0.000 0.000 0.563 322 C C 0.776 175.790 174.990 0.040 0.000 1.129 322 C CA -1.169 57.867 59.018 0.030 0.000 1.284 322 C CB -2.300 25.498 27.740 0.097 0.000 1.532 322 C HN 0.637 nan 8.230 nan 0.000 0.631 323 W N 0.892 122.299 121.300 0.179 0.000 2.477 323 W HA 0.051 4.711 4.660 -0.000 0.000 0.339 323 W C 1.300 177.862 176.519 0.072 0.000 1.195 323 W CA 0.557 57.968 57.345 0.111 0.000 1.324 323 W CB 0.088 29.583 29.460 0.058 0.000 1.170 323 W HN 0.664 nan 8.180 nan 0.000 0.570 324 S N 2.153 118.039 115.700 0.310 0.000 3.698 324 S HA -0.293 4.176 4.470 -0.000 0.000 0.338 324 S C 0.082 174.761 174.600 0.131 0.000 1.089 324 S CA 0.739 59.026 58.200 0.145 0.000 0.991 324 S CB -1.831 61.426 63.200 0.096 0.000 0.909 324 S HN 0.732 nan 8.310 nan 0.000 0.485 325 N N 0.063 118.848 118.700 0.141 0.000 2.701 325 N HA -0.211 4.529 4.740 -0.000 0.000 0.252 325 N C -0.035 175.481 175.510 0.011 0.000 1.002 325 N CA 1.560 54.651 53.050 0.068 0.000 0.758 325 N CB -0.626 37.883 38.487 0.035 0.000 0.937 325 N HN 0.790 nan 8.380 nan 0.000 0.538 326 Q N -0.613 119.217 119.800 0.051 0.000 2.445 326 Q HA 0.793 5.133 4.340 -0.000 0.000 0.281 326 Q C -0.430 175.595 176.000 0.041 0.000 1.101 326 Q CA -0.718 55.092 55.803 0.012 0.000 0.833 326 Q CB 2.275 31.072 28.738 0.098 0.000 1.416 326 Q HN 0.198 nan 8.270 nan 0.000 0.451 327 L N 1.200 122.387 121.223 -0.061 0.000 2.549 327 L HA 0.464 4.803 4.340 -0.000 0.000 0.259 327 L C -1.743 175.079 176.870 -0.080 0.000 0.934 327 L CA -0.528 54.349 54.840 0.060 0.000 0.865 327 L CB 1.817 43.853 42.059 -0.037 0.000 1.352 327 L HN 0.560 nan 8.230 nan 0.000 0.410 328 F N 2.686 122.648 119.950 0.020 0.000 2.427 328 F HA 0.449 4.976 4.527 -0.000 0.000 0.348 328 F C 0.059 175.915 175.800 0.093 0.000 1.125 328 F CA -0.755 57.237 58.000 -0.014 0.000 0.989 328 F CB 1.853 40.763 39.000 -0.150 0.000 1.165 328 F HN -0.085 nan 8.300 nan 0.000 0.442 329 V N 3.298 123.416 119.914 0.341 0.000 2.304 329 V HA 0.269 4.389 4.120 -0.000 0.000 0.269 329 V C -0.102 176.192 176.094 0.334 0.000 1.036 329 V CA -0.660 61.860 62.300 0.367 0.000 0.840 329 V CB 0.776 32.833 31.823 0.391 0.000 1.036 329 V HN 0.768 nan 8.190 nan 0.000 0.466 330 T N 4.163 118.865 114.554 0.246 0.000 2.780 330 T HA 0.600 4.950 4.350 -0.000 0.000 0.294 330 T C -0.226 174.613 174.700 0.232 0.000 0.949 330 T CA -0.410 61.804 62.100 0.191 0.000 1.074 330 T CB 1.631 70.590 68.868 0.151 0.000 0.910 330 T HN 0.309 nan 8.240 nan 0.000 0.501 331 V N 3.702 123.729 119.914 0.188 0.000 2.733 331 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 331 V C -0.547 175.633 176.094 0.143 0.000 1.084 331 V CA -0.755 61.678 62.300 0.222 0.000 0.905 331 V CB 2.342 34.300 31.823 0.226 0.000 1.010 331 V HN 0.776 nan 8.190 nan 0.000 0.424 332 V N 3.420 123.433 119.914 0.164 0.000 2.628 332 V HA 0.691 4.811 4.120 -0.000 0.000 0.306 332 V C -0.987 175.281 176.094 0.290 0.000 1.045 332 V CA -0.409 61.931 62.300 0.066 0.000 0.905 332 V CB 2.107 33.806 31.823 -0.207 0.000 0.997 332 V HN 0.957 nan 8.190 nan 0.000 0.436 333 D N 1.770 122.326 120.400 0.260 0.000 2.470 333 D HA 0.243 4.883 4.640 -0.000 0.000 0.233 333 D C 0.529 176.970 176.300 0.235 0.000 1.372 333 D CA -0.032 54.172 54.000 0.340 0.000 0.994 333 D CB 1.779 42.890 40.800 0.518 0.000 1.377 333 D HN 0.596 nan 8.370 nan 0.000 0.586 334 T N -0.748 113.918 114.554 0.187 0.000 3.086 334 T HA 0.031 4.380 4.350 -0.000 0.000 0.250 334 T C 1.590 176.378 174.700 0.147 0.000 1.074 334 T CA 0.760 62.962 62.100 0.170 0.000 0.988 334 T CB -0.001 68.963 68.868 0.159 0.000 0.988 334 T HN 0.353 nan 8.240 nan 0.000 0.530 335 T N 0.659 115.297 114.554 0.140 0.000 3.014 335 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 335 T C 1.756 176.515 174.700 0.098 0.000 1.078 335 T CA -0.052 62.111 62.100 0.105 0.000 1.135 335 T CB -0.286 68.637 68.868 0.092 0.000 0.895 335 T HN 0.433 nan 8.240 nan 0.000 0.480 336 R N 2.015 122.589 120.500 0.124 0.000 2.388 336 R HA 0.226 4.566 4.340 -0.000 0.000 0.247 336 R C 1.588 177.972 176.300 0.139 0.000 0.931 336 R CA 0.435 56.599 56.100 0.107 0.000 1.082 336 R CB -0.059 30.296 30.300 0.092 0.000 1.135 336 R HN 0.530 nan 8.270 nan 0.000 0.525 337 S N 0.752 116.543 115.700 0.152 0.000 3.170 337 S HA -0.061 4.409 4.470 -0.000 0.000 0.252 337 S C 0.388 174.923 174.600 -0.108 0.000 1.047 337 S CA -0.150 58.149 58.200 0.165 0.000 1.194 337 S CB -0.931 62.393 63.200 0.207 0.000 0.916 337 S HN 0.146 nan 8.310 nan 0.000 0.506 338 T N 1.254 115.651 114.554 -0.261 0.000 2.882 338 T HA 0.366 4.715 4.350 -0.000 0.000 0.287 338 T C -0.328 173.977 174.700 -0.658 0.000 0.992 338 T CA -0.942 60.956 62.100 -0.337 0.000 1.076 338 T CB 0.561 69.332 68.868 -0.162 0.000 0.961 338 T HN 0.500 nan 8.240 nan 0.000 0.490 339 N N 2.828 121.283 118.700 -0.409 0.000 2.469 339 N HA 0.360 5.100 4.740 -0.000 0.000 0.253 339 N C 0.156 175.544 175.510 -0.203 0.000 0.970 339 N CA -0.672 52.169 53.050 -0.347 0.000 0.940 339 N CB 0.949 39.278 38.487 -0.263 0.000 1.128 339 N HN 0.671 nan 8.380 nan 0.000 0.503 340 M N 0.340 119.847 119.600 -0.154 0.000 2.249 340 M HA 0.394 4.874 4.480 -0.000 0.000 0.351 340 M C -0.215 176.036 176.300 -0.082 0.000 1.180 340 M CA -0.436 54.808 55.300 -0.095 0.000 1.127 340 M CB 1.154 33.718 32.600 -0.060 0.000 1.546 340 M HN 0.319 nan 8.290 nan 0.000 0.461 341 S N 3.044 118.711 115.700 -0.055 0.000 2.462 341 S HA 0.629 5.099 4.470 -0.000 0.000 0.294 341 S C -0.261 174.347 174.600 0.014 0.000 1.144 341 S CA -0.782 57.399 58.200 -0.031 0.000 1.088 341 S CB 1.259 64.438 63.200 -0.035 0.000 1.009 341 S HN 0.854 nan 8.310 nan 0.000 0.484 342 V N 1.189 121.139 119.914 0.059 0.000 2.435 342 V HA 0.702 4.821 4.120 -0.000 0.000 0.290 342 V C -0.060 176.138 176.094 0.173 0.000 1.030 342 V CA -0.934 61.420 62.300 0.089 0.000 0.881 342 V CB 0.371 32.228 31.823 0.056 0.000 0.983 342 V HN 1.078 nan 8.190 nan 0.000 0.445 343 C N 5.032 124.416 119.300 0.141 0.000 2.301 343 C HA 0.777 5.237 4.460 -0.000 0.000 0.323 343 C C 0.308 175.423 174.990 0.208 0.000 1.265 343 C CA 0.171 59.301 59.018 0.186 0.000 1.503 343 C CB 0.225 28.038 27.740 0.123 0.000 2.195 343 C HN 1.159 nan 8.230 nan 0.000 0.477 344 S N 4.032 119.887 115.700 0.257 0.000 2.482 344 S HA 0.804 5.274 4.470 -0.000 0.000 0.303 344 S C -0.021 174.693 174.600 0.189 0.000 1.091 344 S CA -0.235 58.078 58.200 0.189 0.000 1.057 344 S CB 1.307 64.584 63.200 0.130 0.000 1.031 344 S HN 1.224 nan 8.310 nan 0.000 0.485 345 A N 3.446 126.335 122.820 0.116 0.000 2.322 345 A HA 0.513 4.833 4.320 -0.000 0.000 0.269 345 A C 1.087 178.604 177.584 -0.112 0.000 1.094 345 A CA -0.539 51.447 52.037 -0.084 0.000 0.807 345 A CB 0.386 19.309 19.000 -0.128 0.000 1.047 345 A HN 0.844 nan 8.150 nan 0.000 0.487 346 V N 1.025 120.816 119.914 -0.206 0.000 2.649 346 V HA 0.041 4.161 4.120 -0.000 0.000 0.248 346 V C 0.800 176.819 176.094 -0.125 0.000 1.054 346 V CA 1.779 63.998 62.300 -0.134 0.000 1.073 346 V CB -0.786 30.949 31.823 -0.146 0.000 0.699 346 V HN 1.013 nan 8.190 nan 0.000 0.463 347 S N -1.244 114.352 115.700 -0.173 0.000 2.562 347 S HA 0.293 4.763 4.470 -0.000 0.000 0.274 347 S C 0.142 174.662 174.600 -0.133 0.000 1.160 347 S CA 0.074 58.203 58.200 -0.118 0.000 0.933 347 S CB 1.682 64.822 63.200 -0.099 0.000 1.100 347 S HN 0.265 nan 8.310 nan 0.000 0.468 348 S N 0.849 116.506 115.700 -0.073 0.000 2.593 348 S HA 0.011 4.481 4.470 -0.000 0.000 0.217 348 S C 1.587 176.175 174.600 -0.020 0.000 0.966 348 S CA 0.283 58.461 58.200 -0.037 0.000 0.914 348 S CB -0.559 62.643 63.200 0.003 0.000 0.776 348 S HN 1.137 nan 8.310 nan 0.000 0.523 349 S N 1.110 116.788 115.700 -0.036 0.000 2.547 349 S HA -0.014 4.456 4.470 -0.000 0.000 0.235 349 S C 0.199 174.787 174.600 -0.020 0.000 0.980 349 S CA 0.074 58.260 58.200 -0.023 0.000 0.941 349 S CB -0.436 62.748 63.200 -0.027 0.000 0.763 349 S HN 0.431 nan 8.310 nan 0.000 0.532 350 D N 1.937 122.318 120.400 -0.031 0.000 2.283 350 D HA 0.331 4.970 4.640 -0.000 0.000 0.248 350 D C 0.695 177.009 176.300 0.024 0.000 1.072 350 D CA 0.125 54.116 54.000 -0.015 0.000 0.929 350 D CB 1.638 42.411 40.800 -0.045 0.000 1.182 350 D HN 0.390 nan 8.370 nan 0.000 0.433 351 S N -1.313 114.410 115.700 0.038 0.000 2.629 351 S HA 0.174 4.644 4.470 -0.000 0.000 0.236 351 S C 0.213 174.862 174.600 0.082 0.000 1.010 351 S CA -0.348 57.888 58.200 0.059 0.000 0.981 351 S CB 0.268 63.493 63.200 0.042 0.000 0.919 351 S HN 0.316 nan 8.310 nan 0.000 0.514 352 T N 1.629 116.240 114.554 0.095 0.000 2.886 352 T HA 0.396 4.746 4.350 -0.000 0.000 0.292 352 T C -1.456 173.361 174.700 0.195 0.000 1.012 352 T CA -0.489 61.689 62.100 0.131 0.000 0.982 352 T CB 1.203 70.128 68.868 0.094 0.000 1.018 352 T HN 0.284 nan 8.240 nan 0.000 0.451 353 Y N 3.075 123.447 120.300 0.120 0.000 2.544 353 Y HA 0.331 4.881 4.550 -0.000 0.000 0.330 353 Y C 0.240 176.241 175.900 0.167 0.000 1.136 353 Y CA 0.413 58.627 58.100 0.190 0.000 1.417 353 Y CB 0.280 38.803 38.460 0.105 0.000 1.229 353 Y HN 0.440 nan 8.280 nan 0.000 0.532 354 K N 4.902 125.260 120.400 -0.070 0.000 2.541 354 K HA 0.222 4.541 4.320 -0.000 0.000 0.250 354 K C 0.136 176.651 176.600 -0.142 0.000 0.950 354 K CA -0.742 55.526 56.287 -0.030 0.000 0.805 354 K CB 1.550 34.031 32.500 -0.032 0.000 1.166 354 K HN 0.650 nan 8.250 nan 0.000 0.430 355 N N 1.350 120.066 118.700 0.027 0.000 2.184 355 N HA -0.236 4.503 4.740 -0.000 0.000 0.190 355 N C 0.749 176.288 175.510 0.048 0.000 1.011 355 N CA 1.427 54.538 53.050 0.101 0.000 0.867 355 N CB 0.018 38.594 38.487 0.148 0.000 0.993 355 N HN 0.558 nan 8.380 nan 0.000 0.433 356 D N 0.185 120.575 120.400 -0.017 0.000 2.149 356 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 356 D C 1.257 177.479 176.300 -0.129 0.000 0.990 356 D CA 1.000 54.967 54.000 -0.054 0.000 0.839 356 D CB -0.340 40.428 40.800 -0.054 0.000 0.948 356 D HN 0.327 nan 8.370 nan 0.000 0.460 357 N N -1.029 117.510 118.700 -0.268 0.000 2.461 357 N HA -0.029 4.711 4.740 -0.000 0.000 0.188 357 N C -0.833 174.236 175.510 -0.734 0.000 1.134 357 N CA 0.090 52.840 53.050 -0.500 0.000 0.878 357 N CB 0.147 38.256 38.487 -0.629 0.000 0.972 357 N HN -0.092 nan 8.380 nan 0.000 0.456 358 F N -0.017 119.864 119.950 -0.116 0.000 2.551 358 F HA 0.483 5.010 4.527 -0.000 0.000 0.316 358 F C 0.039 175.828 175.800 -0.019 0.000 1.089 358 F CA -0.994 56.968 58.000 -0.063 0.000 0.915 358 F CB 1.805 40.758 39.000 -0.078 0.000 1.186 358 F HN -0.381 nan 8.300 nan 0.000 0.456 359 K N 2.466 122.991 120.400 0.208 0.000 2.358 359 K HA 0.343 4.663 4.320 -0.000 0.000 0.260 359 K C -0.830 175.834 176.600 0.106 0.000 0.956 359 K CA -0.856 55.494 56.287 0.104 0.000 0.834 359 K CB 1.959 34.548 32.500 0.149 0.000 1.102 359 K HN 0.498 nan 8.250 nan 0.000 0.431 360 E N 2.023 122.189 120.200 -0.058 0.000 2.242 360 E HA 0.323 4.672 4.350 -0.000 0.000 0.275 360 E C -0.838 175.632 176.600 -0.218 0.000 1.002 360 E CA -0.313 56.076 56.400 -0.018 0.000 0.841 360 E CB 1.079 30.774 29.700 -0.009 0.000 1.109 360 E HN 0.348 nan 8.360 nan 0.000 0.394 361 Y N 0.107 120.413 120.300 0.011 0.000 2.638 361 Y HA 0.499 5.048 4.550 -0.000 0.000 0.339 361 Y C -0.122 175.718 175.900 -0.100 0.000 1.084 361 Y CA -0.840 57.253 58.100 -0.011 0.000 1.068 361 Y CB 1.503 39.967 38.460 0.007 0.000 1.294 361 Y HN 0.230 nan 8.280 nan 0.000 0.480 362 L N 2.100 123.272 121.223 -0.084 0.000 2.381 362 L HA 0.678 5.018 4.340 -0.000 0.000 0.268 362 L C -0.915 175.770 176.870 -0.309 0.000 0.997 362 L CA -0.983 53.680 54.840 -0.295 0.000 0.818 362 L CB 1.955 43.625 42.059 -0.648 0.000 1.310 362 L HN 0.528 nan 8.230 nan 0.000 0.416 363 R N 1.294 121.672 120.500 -0.204 0.000 2.626 363 R HA 0.425 4.765 4.340 -0.000 0.000 0.274 363 R C -1.528 174.747 176.300 -0.042 0.000 1.031 363 R CA -0.804 55.224 56.100 -0.121 0.000 0.898 363 R CB 2.126 32.401 30.300 -0.041 0.000 1.222 363 R HN 0.692 nan 8.270 nan 0.000 0.455 364 H N -0.390 118.620 119.070 -0.099 0.000 2.572 364 H HA 0.742 5.298 4.556 -0.000 0.000 0.359 364 H C -0.683 174.655 175.328 0.016 0.000 1.134 364 H CA -0.840 55.183 56.048 -0.042 0.000 1.187 364 H CB 2.080 31.816 29.762 -0.044 0.000 1.597 364 H HN 0.740 nan 8.280 nan 0.000 0.524 365 G N 2.976 112.021 108.800 0.409 0.000 2.662 365 G HA2 0.335 4.294 3.960 -0.000 0.000 0.302 365 G HA3 0.335 4.294 3.960 -0.000 0.000 0.302 365 G C -1.412 173.622 174.900 0.222 0.000 1.389 365 G CA -0.522 44.705 45.100 0.212 0.000 0.998 365 G HN 0.513 nan 8.290 nan 0.000 0.502 366 E N 0.101 120.411 120.200 0.184 0.000 2.221 366 E HA 0.586 4.936 4.350 -0.000 0.000 0.268 366 E C -0.776 175.955 176.600 0.218 0.000 0.933 366 E CA -0.670 55.856 56.400 0.210 0.000 0.809 366 E CB 2.089 31.977 29.700 0.314 0.000 1.190 366 E HN 0.531 nan 8.360 nan 0.000 0.406 367 E N 2.388 122.641 120.200 0.089 0.000 2.281 367 E HA 0.251 4.601 4.350 -0.000 0.000 0.266 367 E C -1.336 175.173 176.600 -0.152 0.000 0.893 367 E CA -0.472 55.964 56.400 0.060 0.000 0.798 367 E CB 0.663 30.369 29.700 0.010 0.000 1.245 367 E HN 0.386 nan 8.360 nan 0.000 0.410 368 Y N 1.647 121.893 120.300 -0.089 0.000 2.534 368 Y HA 0.489 5.039 4.550 -0.000 0.000 0.329 368 Y C -0.103 175.653 175.900 -0.241 0.000 1.154 368 Y CA -0.717 57.246 58.100 -0.228 0.000 1.192 368 Y CB 1.751 39.984 38.460 -0.378 0.000 1.275 368 Y HN 0.544 nan 8.280 nan 0.000 0.491 369 D N 0.592 120.884 120.400 -0.180 0.000 2.990 369 D HA 0.494 5.134 4.640 -0.000 0.000 0.227 369 D C -1.997 174.104 176.300 -0.333 0.000 1.249 369 D CA -0.345 53.527 54.000 -0.213 0.000 0.891 369 D CB 1.115 41.813 40.800 -0.170 0.000 1.647 369 D HN 0.453 nan 8.370 nan 0.000 0.530 370 L N 3.436 124.427 121.223 -0.387 0.000 2.343 370 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 370 L C -0.344 176.097 176.870 -0.714 0.000 0.996 370 L CA -0.646 53.833 54.840 -0.602 0.000 0.831 370 L CB 1.681 43.412 42.059 -0.546 0.000 1.232 370 L HN 0.400 nan 8.230 nan 0.000 0.413 371 Q N 3.153 122.381 119.800 -0.954 0.000 2.345 371 Q HA 0.719 5.059 4.340 -0.000 0.000 0.268 371 Q C -1.526 173.701 176.000 -1.288 0.000 1.054 371 Q CA -0.609 54.664 55.803 -0.884 0.000 0.835 371 Q CB 3.172 31.587 28.738 -0.539 0.000 1.339 371 Q HN 0.386 nan 8.270 nan 0.000 0.447 372 F N 0.589 120.122 119.950 -0.695 0.000 2.686 372 F HA 0.603 5.130 4.527 -0.000 0.000 0.311 372 F C -0.662 174.572 175.800 -0.944 0.000 1.128 372 F CA -0.869 56.632 58.000 -0.833 0.000 0.946 372 F CB 1.796 40.212 39.000 -0.974 0.000 1.336 372 F HN 0.280 nan 8.300 nan 0.000 0.457 373 I N 1.984 122.110 120.570 -0.741 0.000 2.571 373 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 373 I C -1.590 174.183 176.117 -0.574 0.000 1.134 373 I CA -0.255 60.696 61.300 -0.582 0.000 1.052 373 I CB 1.791 39.592 38.000 -0.330 0.000 1.237 373 I HN 0.364 nan 8.210 nan 0.000 0.435 374 F N 4.251 124.033 119.950 -0.279 0.000 2.480 374 F HA 0.475 5.001 4.527 -0.000 0.000 0.329 374 F C 0.343 176.101 175.800 -0.070 0.000 1.091 374 F CA -0.557 57.314 58.000 -0.216 0.000 0.972 374 F CB 1.636 40.336 39.000 -0.499 0.000 1.150 374 F HN 0.359 nan 8.300 nan 0.000 0.467 375 Q N 2.885 122.781 119.800 0.159 0.000 2.271 375 Q HA 0.370 4.710 4.340 -0.000 0.000 0.258 375 Q C -0.930 175.178 176.000 0.179 0.000 0.936 375 Q CA -1.237 54.499 55.803 -0.112 0.000 0.909 375 Q CB 1.746 30.225 28.738 -0.432 0.000 1.253 375 Q HN 0.687 nan 8.270 nan 0.000 0.440 376 L N 3.802 125.094 121.223 0.116 0.000 2.559 376 L HA 0.017 4.356 4.340 -0.000 0.000 0.274 376 L C -1.219 175.506 176.870 -0.242 0.000 1.205 376 L CA 0.784 55.497 54.840 -0.211 0.000 0.907 376 L CB 0.147 41.939 42.059 -0.446 0.000 1.153 376 L HN 0.726 nan 8.230 nan 0.000 0.490 377 C N 4.538 123.666 119.300 -0.286 0.000 2.797 377 C HA 0.623 5.083 4.460 -0.000 0.000 0.306 377 C C -0.530 174.328 174.990 -0.219 0.000 1.207 377 C CA -1.202 57.697 59.018 -0.198 0.000 1.507 377 C CB 1.846 29.510 27.740 -0.127 0.000 2.028 377 C HN 0.862 nan 8.230 nan 0.000 0.475 378 K N 2.256 122.568 120.400 -0.146 0.000 2.376 378 K HA 0.804 5.124 4.320 -0.000 0.000 0.257 378 K C -1.405 175.194 176.600 -0.002 0.000 0.939 378 K CA -0.291 55.924 56.287 -0.121 0.000 0.809 378 K CB 0.958 33.383 32.500 -0.125 0.000 1.121 378 K HN 0.712 nan 8.250 nan 0.000 0.425 379 I N 3.144 123.720 120.570 0.009 0.000 2.354 379 I HA 0.161 4.330 4.170 -0.000 0.000 0.292 379 I C -0.396 175.773 176.117 0.087 0.000 0.989 379 I CA -0.978 60.389 61.300 0.111 0.000 1.188 379 I CB 2.010 40.145 38.000 0.224 0.000 1.342 379 I HN 0.666 nan 8.210 nan 0.000 0.457 380 T N 7.463 122.091 114.554 0.123 0.000 2.727 380 T HA 0.358 4.708 4.350 -0.000 0.000 0.298 380 T C 0.346 175.103 174.700 0.095 0.000 0.942 380 T CA -0.448 61.706 62.100 0.091 0.000 0.997 380 T CB 0.159 69.077 68.868 0.083 0.000 0.917 380 T HN 0.309 nan 8.240 nan 0.000 0.487 381 L N 5.442 126.711 121.223 0.077 0.000 2.536 381 L HA 0.201 4.541 4.340 -0.000 0.000 0.282 381 L C 1.340 178.250 176.870 0.067 0.000 1.174 381 L CA -0.383 54.512 54.840 0.092 0.000 0.989 381 L CB -0.972 41.143 42.059 0.093 0.000 1.311 381 L HN 0.698 nan 8.230 nan 0.000 0.455 382 T N -1.319 113.275 114.554 0.067 0.000 2.938 382 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 382 T C 1.321 176.047 174.700 0.043 0.000 1.028 382 T CA -0.201 61.927 62.100 0.048 0.000 1.005 382 T CB 1.957 70.851 68.868 0.044 0.000 1.157 382 T HN 0.363 nan 8.240 nan 0.000 0.550 383 A N 1.445 124.283 122.820 0.030 0.000 1.887 383 A HA -0.316 4.004 4.320 -0.000 0.000 0.225 383 A C 1.750 179.349 177.584 0.025 0.000 1.464 383 A CA 2.945 54.995 52.037 0.022 0.000 0.717 383 A CB -1.768 17.241 19.000 0.015 0.000 0.848 383 A HN 0.984 nan 8.150 nan 0.000 0.477 384 D N -1.248 119.167 120.400 0.024 0.000 2.120 384 D HA 0.031 4.671 4.640 -0.000 0.000 0.202 384 D C 1.826 178.142 176.300 0.027 0.000 0.972 384 D CA 1.037 55.050 54.000 0.022 0.000 0.837 384 D CB -0.344 40.461 40.800 0.008 0.000 0.989 384 D HN 0.185 nan 8.370 nan 0.000 0.469 385 V N 0.807 120.734 119.914 0.021 0.000 2.332 385 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 385 V C 2.319 178.440 176.094 0.044 0.000 1.055 385 V CA 1.581 63.887 62.300 0.010 0.000 1.038 385 V CB -0.415 31.440 31.823 0.054 0.000 0.651 385 V HN 0.280 nan 8.190 nan 0.000 0.450 386 M N -0.722 118.915 119.600 0.062 0.000 2.117 386 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 386 M C 2.236 178.578 176.300 0.070 0.000 1.065 386 M CA 2.178 57.521 55.300 0.071 0.000 1.114 386 M CB -0.681 31.961 32.600 0.070 0.000 1.361 386 M HN 0.412 nan 8.290 nan 0.000 0.408 387 T N -0.618 113.972 114.554 0.059 0.000 2.777 387 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 387 T C 1.539 176.297 174.700 0.097 0.000 1.040 387 T CA 1.284 63.417 62.100 0.054 0.000 1.141 387 T CB -0.532 68.357 68.868 0.034 0.000 0.868 387 T HN 0.381 nan 8.240 nan 0.000 0.444 388 Y N 1.889 122.159 120.300 -0.049 0.000 2.181 388 Y HA -0.099 4.451 4.550 -0.000 0.000 0.288 388 Y C 2.062 177.878 175.900 -0.141 0.000 1.146 388 Y CA 0.901 58.953 58.100 -0.081 0.000 1.164 388 Y CB -0.485 37.888 38.460 -0.145 0.000 0.982 388 Y HN 0.150 nan 8.280 nan 0.000 0.515 389 I N -0.601 119.902 120.570 -0.112 0.000 2.208 389 I HA -0.375 3.795 4.170 -0.000 0.000 0.245 389 I C 2.542 178.447 176.117 -0.354 0.000 1.097 389 I CA 1.849 62.960 61.300 -0.316 0.000 1.363 389 I CB -0.854 37.002 38.000 -0.241 0.000 1.051 389 I HN 0.412 nan 8.210 nan 0.000 0.413 390 H N 1.607 120.533 119.070 -0.240 0.000 2.293 390 H HA -0.131 4.424 4.556 -0.000 0.000 0.300 390 H C 2.330 177.529 175.328 -0.215 0.000 1.082 390 H CA 2.229 58.156 56.048 -0.202 0.000 1.308 390 H CB 0.207 29.897 29.762 -0.119 0.000 1.375 390 H HN 0.277 nan 8.280 nan 0.000 0.495 391 S N 0.507 116.174 115.700 -0.054 0.000 2.436 391 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 391 S C 2.330 176.801 174.600 -0.215 0.000 1.014 391 S CA 0.759 58.919 58.200 -0.067 0.000 0.950 391 S CB -0.054 63.148 63.200 0.003 0.000 0.784 391 S HN 0.364 nan 8.310 nan 0.000 0.504 392 M N 1.776 121.119 119.600 -0.427 0.000 2.200 392 M HA -0.066 4.413 4.480 -0.000 0.000 0.261 392 M C 0.533 176.432 176.300 -0.668 0.000 1.074 392 M CA 1.565 56.387 55.300 -0.797 0.000 1.098 392 M CB -0.084 31.884 32.600 -1.053 0.000 1.268 392 M HN 0.320 nan 8.290 nan 0.000 0.432 393 N N -0.813 117.510 118.700 -0.628 0.000 2.480 393 N HA 0.240 4.980 4.740 -0.000 0.000 0.289 393 N C -2.341 172.855 175.510 -0.523 0.000 1.073 393 N CA -1.565 51.179 53.050 -0.510 0.000 0.885 393 N CB 1.967 40.154 38.487 -0.501 0.000 1.421 393 N HN 0.007 nan 8.380 nan 0.000 0.503 394 P HA -0.104 nan 4.420 nan 0.000 0.217 394 P C 1.021 178.086 177.300 -0.391 0.000 1.150 394 P CA 1.119 63.875 63.100 -0.573 0.000 0.832 394 P CB 0.275 31.622 31.700 -0.589 0.000 0.787 395 S N -0.023 115.482 115.700 -0.324 0.000 2.441 395 S HA -0.152 4.318 4.470 -0.000 0.000 0.242 395 S C 1.943 176.309 174.600 -0.390 0.000 1.018 395 S CA 1.004 59.040 58.200 -0.274 0.000 0.988 395 S CB -1.052 62.025 63.200 -0.206 0.000 0.778 395 S HN 0.187 nan 8.310 nan 0.000 0.498 396 I N 0.373 120.621 120.570 -0.536 0.000 2.353 396 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 396 I C 1.982 177.440 176.117 -1.098 0.000 1.119 396 I CA 1.044 61.830 61.300 -0.856 0.000 1.417 396 I CB -0.104 37.328 38.000 -0.947 0.000 1.078 396 I HN 0.256 nan 8.210 nan 0.000 0.421 397 L N -0.132 120.736 121.223 -0.591 0.000 2.168 397 L HA -0.079 4.260 4.340 -0.000 0.000 0.203 397 L C 2.437 179.250 176.870 -0.095 0.000 1.078 397 L CA 0.907 55.607 54.840 -0.234 0.000 0.780 397 L CB -0.394 41.615 42.059 -0.084 0.000 0.939 397 L HN 0.153 nan 8.230 nan 0.000 0.451 398 E N 0.224 120.342 120.200 -0.137 0.000 2.097 398 E HA -0.261 4.088 4.350 -0.000 0.000 0.196 398 E C 1.353 177.920 176.600 -0.056 0.000 1.000 398 E CA 1.472 57.827 56.400 -0.074 0.000 0.804 398 E CB -0.138 29.507 29.700 -0.092 0.000 0.740 398 E HN 0.446 nan 8.360 nan 0.000 0.454 399 D N -0.574 119.739 120.400 -0.144 0.000 2.348 399 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 399 D C 0.419 176.770 176.300 0.085 0.000 0.970 399 D CA 0.499 54.452 54.000 -0.078 0.000 0.889 399 D CB -0.014 40.691 40.800 -0.159 0.000 0.912 399 D HN 0.286 nan 8.370 nan 0.000 0.524 400 W N 2.574 123.878 121.300 0.008 0.000 3.040 400 W HA 0.174 4.833 4.660 -0.000 0.000 0.444 400 W C 0.224 176.751 176.519 0.013 0.000 0.793 400 W CA -0.438 56.916 57.345 0.016 0.000 2.104 400 W CB -1.332 28.144 29.460 0.028 0.000 1.060 400 W HN 0.048 nan 8.180 nan 0.000 0.842 441 L N 1.154 122.414 121.223 0.062 0.000 3.141 441 L HA 0.408 4.748 4.340 -0.000 0.000 0.267 441 L C 1.738 178.560 176.870 -0.080 0.000 1.281 441 L CA -0.256 54.640 54.840 0.093 0.000 1.037 441 L CB 0.832 43.155 42.059 0.439 0.000 1.407 441 L HN 0.020 nan 8.230 nan 0.000 0.566 442 K N 0.787 121.103 120.400 -0.140 0.000 2.280 442 K HA -0.083 4.237 4.320 -0.000 0.000 0.202 442 K C 1.003 177.468 176.600 -0.225 0.000 1.047 442 K CA 1.048 57.254 56.287 -0.135 0.000 0.942 442 K CB 0.288 32.726 32.500 -0.104 0.000 0.739 442 K HN 0.450 nan 8.250 nan 0.000 0.457 443 N N -0.287 118.148 118.700 -0.442 0.000 2.280 443 N HA -0.006 4.734 4.740 -0.000 0.000 0.192 443 N C -0.667 174.586 175.510 -0.428 0.000 1.109 443 N CA 0.300 53.068 53.050 -0.470 0.000 0.855 443 N CB 0.405 38.556 38.487 -0.560 0.000 0.974 443 N HN 0.175 nan 8.380 nan 0.000 0.482 444 Y N 0.589 120.752 120.300 -0.228 0.000 2.393 444 Y HA 0.271 4.820 4.550 -0.000 0.000 0.341 444 Y C 0.437 175.979 175.900 -0.596 0.000 0.988 444 Y CA -1.283 56.538 58.100 -0.466 0.000 1.078 444 Y CB 1.471 39.559 38.460 -0.621 0.000 1.203 444 Y HN -0.177 nan 8.280 nan 0.000 0.453 445 T N 1.012 115.329 114.554 -0.396 0.000 2.743 445 T HA 0.640 4.990 4.350 -0.000 0.000 0.292 445 T C -0.900 173.615 174.700 -0.308 0.000 0.972 445 T CA -0.535 61.391 62.100 -0.290 0.000 0.967 445 T CB -0.125 68.669 68.868 -0.124 0.000 0.926 445 T HN 0.415 nan 8.240 nan 0.000 0.459 446 F N 1.039 121.054 119.950 0.108 0.000 2.578 446 F HA 0.393 4.920 4.527 -0.000 0.000 0.311 446 F C -0.213 175.666 175.800 0.132 0.000 1.094 446 F CA -1.664 56.408 58.000 0.119 0.000 0.923 446 F CB 1.680 40.780 39.000 0.168 0.000 1.230 446 F HN 0.568 nan 8.300 nan 0.000 0.450 447 W N 5.330 126.710 121.300 0.133 0.000 2.724 447 W HA 0.127 4.787 4.660 -0.000 0.000 0.347 447 W C -0.271 176.360 176.519 0.186 0.000 1.338 447 W CA -0.263 57.137 57.345 0.092 0.000 1.450 447 W CB 0.101 29.516 29.460 -0.075 0.000 1.534 447 W HN 0.518 nan 8.180 nan 0.000 0.508 448 E N 3.741 124.196 120.200 0.425 0.000 2.384 448 E HA 0.155 4.505 4.350 -0.000 0.000 0.266 448 E C -0.596 176.245 176.600 0.402 0.000 1.012 448 E CA -0.097 56.495 56.400 0.319 0.000 0.901 448 E CB 1.830 31.639 29.700 0.182 0.000 0.967 448 E HN 0.166 nan 8.360 nan 0.000 0.435 449 V N 3.287 123.353 119.914 0.254 0.000 2.462 449 V HA 0.087 4.207 4.120 -0.000 0.000 0.288 449 V C -0.324 175.836 176.094 0.110 0.000 1.020 449 V CA -0.917 61.507 62.300 0.207 0.000 0.857 449 V CB 1.812 33.715 31.823 0.134 0.000 1.013 449 V HN 0.523 nan 8.190 nan 0.000 0.431 450 D N 4.735 125.202 120.400 0.111 0.000 2.274 450 D HA 0.417 5.056 4.640 -0.000 0.000 0.239 450 D C 0.226 176.578 176.300 0.087 0.000 1.104 450 D CA -0.199 53.845 54.000 0.073 0.000 0.840 450 D CB 1.864 42.705 40.800 0.068 0.000 1.100 450 D HN 0.501 nan 8.370 nan 0.000 0.477 451 L N 3.768 125.037 121.223 0.077 0.000 3.066 451 L HA 0.203 4.542 4.340 -0.000 0.000 0.265 451 L C 1.902 178.860 176.870 0.147 0.000 1.232 451 L CA -0.319 54.615 54.840 0.157 0.000 1.031 451 L CB 0.337 42.545 42.059 0.248 0.000 1.379 451 L HN 0.171 nan 8.230 nan 0.000 0.563 452 K N 0.600 121.016 120.400 0.026 0.000 2.057 452 K HA -0.160 4.159 4.320 -0.000 0.000 0.207 452 K C 1.341 177.967 176.600 0.044 0.000 1.049 452 K CA 1.181 57.419 56.287 -0.081 0.000 0.931 452 K CB 0.146 32.613 32.500 -0.055 0.000 0.714 452 K HN 0.012 nan 8.250 nan 0.000 0.440 453 E N 0.644 120.913 120.200 0.114 0.000 2.403 453 E HA 0.005 4.355 4.350 -0.000 0.000 0.187 453 E C -0.068 176.671 176.600 0.231 0.000 1.073 453 E CA 0.355 56.855 56.400 0.167 0.000 0.888 453 E CB 0.332 30.110 29.700 0.130 0.000 1.035 453 E HN -0.035 nan 8.360 nan 0.000 0.471 454 K N 0.133 120.714 120.400 0.301 0.000 2.618 454 K HA 0.167 4.487 4.320 -0.000 0.000 0.207 454 K C -0.740 176.103 176.600 0.406 0.000 1.058 454 K CA -0.265 56.202 56.287 0.300 0.000 1.086 454 K CB 0.162 32.803 32.500 0.235 0.000 0.827 454 K HN -0.005 nan 8.250 nan 0.000 0.481 455 F N 0.518 120.586 119.950 0.196 0.000 2.404 455 F HA 0.349 4.876 4.527 -0.000 0.000 0.339 455 F C 0.704 176.741 175.800 0.395 0.000 1.105 455 F CA -0.930 57.229 58.000 0.265 0.000 1.087 455 F CB 1.779 40.927 39.000 0.247 0.000 1.143 455 F HN -0.252 nan 8.300 nan 0.000 0.491 456 S N 1.340 117.301 115.700 0.434 0.000 2.521 456 S HA 0.707 5.177 4.470 -0.000 0.000 0.295 456 S C 0.268 174.951 174.600 0.138 0.000 1.098 456 S CA -0.212 58.195 58.200 0.346 0.000 0.999 456 S CB 1.496 64.870 63.200 0.289 0.000 1.034 456 S HN 0.737 nan 8.310 nan 0.000 0.483 457 A N 2.668 125.503 122.820 0.026 0.000 2.238 457 A HA 0.267 4.587 4.320 -0.000 0.000 0.210 457 A C -0.031 177.505 177.584 -0.079 0.000 1.179 457 A CA 0.134 51.970 52.037 -0.336 0.000 0.827 457 A CB -0.008 18.813 19.000 -0.298 0.000 0.856 457 A HN 0.774 nan 8.150 nan 0.000 0.488 458 D N 0.788 121.239 120.400 0.085 0.000 2.485 458 D HA 0.313 4.952 4.640 -0.000 0.000 0.221 458 D C 0.773 177.188 176.300 0.192 0.000 1.112 458 D CA -0.229 53.833 54.000 0.102 0.000 0.911 458 D CB 1.244 42.095 40.800 0.084 0.000 1.019 458 D HN 0.212 nan 8.370 nan 0.000 0.516 459 L N 0.765 122.073 121.223 0.141 0.000 2.201 459 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 459 L C 2.068 179.065 176.870 0.211 0.000 1.105 459 L CA 0.828 55.790 54.840 0.204 0.000 0.775 459 L CB -0.113 42.032 42.059 0.145 0.000 0.913 459 L HN 0.238 nan 8.230 nan 0.000 0.440 460 D N 0.150 120.612 120.400 0.104 0.000 2.178 460 D HA -0.210 4.430 4.640 -0.000 0.000 0.201 460 D C 1.977 178.252 176.300 -0.042 0.000 0.980 460 D CA 1.109 55.131 54.000 0.037 0.000 0.842 460 D CB 0.089 40.893 40.800 0.007 0.000 0.948 460 D HN 0.249 nan 8.370 nan 0.000 0.472 461 Q N -0.809 118.900 119.800 -0.150 0.000 2.541 461 Q HA -0.011 4.329 4.340 -0.000 0.000 0.215 461 Q C -0.350 175.177 176.000 -0.788 0.000 0.977 461 Q CA 0.493 55.992 55.803 -0.507 0.000 0.934 461 Q CB -0.090 28.226 28.738 -0.704 0.000 0.988 461 Q HN 0.359 nan 8.270 nan 0.000 0.521 462 F N 0.082 119.940 119.950 -0.154 0.000 2.556 462 F HA 0.269 4.795 4.527 -0.000 0.000 0.314 462 F C -1.553 174.218 175.800 -0.048 0.000 1.106 462 F CA -2.618 55.275 58.000 -0.179 0.000 0.911 462 F CB 1.456 40.171 39.000 -0.475 0.000 1.190 462 F HN -0.267 nan 8.300 nan 0.000 0.448 463 P HA -0.264 nan 4.420 nan 0.000 0.216 463 P C 1.910 179.296 177.300 0.143 0.000 1.167 463 P CA 1.703 64.861 63.100 0.096 0.000 0.914 463 P CB 0.648 32.382 31.700 0.056 0.000 0.793 464 L N -0.533 120.790 121.223 0.166 0.000 2.043 464 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 464 L C 2.763 179.826 176.870 0.322 0.000 1.075 464 L CA 2.176 57.125 54.840 0.181 0.000 0.752 464 L CB -1.374 40.724 42.059 0.066 0.000 0.891 464 L HN 0.065 nan 8.230 nan 0.000 0.432 465 G N -0.835 108.176 108.800 0.352 0.000 2.469 465 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.219 465 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.219 465 G C 1.740 176.805 174.900 0.276 0.000 1.150 465 G CA 0.788 46.090 45.100 0.337 0.000 0.763 465 G HN 0.315 nan 8.290 nan 0.000 0.561 466 R N 0.188 120.808 120.500 0.199 0.000 2.062 466 R HA 0.052 4.392 4.340 -0.000 0.000 0.226 466 R C 2.745 179.099 176.300 0.089 0.000 1.125 466 R CA 1.187 57.352 56.100 0.108 0.000 0.966 466 R CB -0.130 30.212 30.300 0.071 0.000 0.861 466 R HN 0.316 nan 8.270 nan 0.000 0.433 467 K N -0.051 120.438 120.400 0.149 0.000 2.009 467 K HA -0.194 4.125 4.320 -0.000 0.000 0.210 467 K C 1.924 178.556 176.600 0.055 0.000 1.049 467 K CA 1.745 58.126 56.287 0.156 0.000 0.929 467 K CB -0.490 32.175 32.500 0.275 0.000 0.714 467 K HN 0.085 nan 8.250 nan 0.000 0.440 468 F N 2.510 122.533 119.950 0.122 0.000 2.063 468 F HA -0.260 4.266 4.527 -0.000 0.000 0.298 468 F C 1.806 177.410 175.800 -0.326 0.000 1.109 468 F CA 1.576 59.453 58.000 -0.204 0.000 1.212 468 F CB -0.486 38.509 39.000 -0.008 0.000 0.973 468 F HN -0.115 nan 8.300 nan 0.000 0.480 469 L N -0.488 120.495 121.223 -0.399 0.000 2.042 469 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 469 L C 2.412 179.044 176.870 -0.396 0.000 1.076 469 L CA 1.098 55.710 54.840 -0.381 0.000 0.749 469 L CB -1.066 40.948 42.059 -0.075 0.000 0.893 469 L HN 0.329 nan 8.230 nan 0.000 0.432 470 L N -0.396 120.657 121.223 -0.283 0.000 1.961 470 L HA -0.217 4.122 4.340 -0.000 0.000 0.209 470 L C 2.693 179.365 176.870 -0.330 0.000 1.075 470 L CA 1.804 56.507 54.840 -0.230 0.000 0.749 470 L CB -1.007 40.977 42.059 -0.126 0.000 0.890 470 L HN 0.289 nan 8.230 nan 0.000 0.433 471 Q N 0.122 119.690 119.800 -0.386 0.000 2.082 471 Q HA -0.287 4.053 4.340 -0.000 0.000 0.211 471 Q C 2.011 177.645 176.000 -0.611 0.000 1.002 471 Q CA 2.715 58.223 55.803 -0.491 0.000 0.868 471 Q CB -0.644 27.700 28.738 -0.656 0.000 0.931 471 Q HN 0.647 nan 8.270 nan 0.000 0.414 472 A N -0.599 121.686 122.820 -0.892 0.000 2.076 472 A HA 0.091 4.411 4.320 -0.000 0.000 0.220 472 A C 1.607 178.923 177.584 -0.447 0.000 1.160 472 A CA 2.252 53.836 52.037 -0.755 0.000 0.653 472 A CB -0.735 17.635 19.000 -1.050 0.000 0.801 472 A HN 0.799 nan 8.150 nan 0.000 0.455 473 G N -0.791 107.774 108.800 -0.392 0.000 3.226 473 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.270 473 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.270 473 G C 0.366 175.139 174.900 -0.212 0.000 1.592 473 G CA 0.233 45.187 45.100 -0.244 0.000 1.055 473 G HN 1.389 nan 8.290 nan 0.000 0.582 474 L N 0.000 121.125 121.223 -0.164 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.774 54.840 -0.111 0.000 0.813 474 L CB 0.000 42.018 42.059 -0.069 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502