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 1rk5_1_A DATA FIRST_RESID 7 DATA SEQUENCE PFDYILSGGT VIDGTNAPGR LADVGVRGDR IAAVGDLSAS SARRRIDVAG DATA SEQUENCE KVVSPGFIDS HTHDDNYLLK HRDMTPKISQ GVTTVVTGNC GISLAPLAHA DATA SEQUENCE NPPAPLDLLD EGGSFRFARF SDYLEALRAA PPAVNAACMV GHSTLRAAVM DATA SEQUENCE PDLRREATAD EIQAMQALAD DALASGAIGI STGAFYPPAA HASTEEIIEV DATA SEQUENCE CRPLITHGGV YATHMRDEGE HIVQALEETF RIGRELDVPV VISHHKVMGK DATA SEQUENCE LNFGRSKETL ALIEAAMASQ DVSLDAYPYV AGSTMLKQDR VLLAGRTLIT DATA SEQUENCE WCKPYPELSG RDLEEIAAER GKSKYDVVPE LQPAGAIYFM MDEPDVQRIL DATA SEQUENCE AFGPTMIGSA GLPHDERPHP RLWGTFPRVL GHYSRDLGLF PLETAVWKMT DATA SEQUENCE GLTAAKFGLA ERGQVQPGYY ADLVVFDPAT VADSATFEHP TERAAGIHSV DATA SEQUENCE YVNGAAVWED QSFTGQHAGR VLNR 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.350 177.300 0.083 0.000 1.155 7 P CA 0.000 63.045 63.100 -0.091 0.000 0.800 7 P CB 0.000 31.671 31.700 -0.049 0.000 0.726 8 F N 0.759 120.688 119.950 -0.035 0.000 2.410 8 F HA 0.183 4.715 4.527 0.007 0.000 0.334 8 F C 1.846 177.621 175.800 -0.041 0.000 1.134 8 F CA -0.412 57.547 58.000 -0.068 0.000 1.227 8 F CB 0.245 39.181 39.000 -0.106 0.000 1.194 8 F HN 0.302 nan 8.300 nan 0.000 0.571 9 D N 0.249 120.731 120.400 0.137 0.000 2.144 9 D HA -0.106 4.538 4.640 0.007 0.000 0.200 9 D C -0.188 176.274 176.300 0.270 0.000 0.978 9 D CA 1.900 55.999 54.000 0.164 0.000 0.833 9 D CB 0.013 40.922 40.800 0.182 0.000 0.961 9 D HN 0.562 nan 8.370 nan 0.000 0.470 10 Y N -2.285 118.079 120.300 0.106 0.000 2.677 10 Y HA 0.554 5.108 4.550 0.007 0.000 0.334 10 Y C -1.649 174.295 175.900 0.073 0.000 1.196 10 Y CA -1.337 56.811 58.100 0.079 0.000 1.059 10 Y CB 0.798 39.285 38.460 0.045 0.000 1.315 10 Y HN -0.315 nan 8.280 nan 0.000 0.455 11 I N 2.999 123.702 120.570 0.222 0.000 2.533 11 I HA 0.361 4.536 4.170 0.007 0.000 0.290 11 I C -1.106 175.103 176.117 0.152 0.000 1.056 11 I CA -0.942 60.432 61.300 0.122 0.000 1.057 11 I CB 2.200 40.285 38.000 0.142 0.000 1.240 11 I HN 0.545 nan 8.210 nan 0.000 0.423 12 L N 6.037 127.316 121.223 0.093 0.000 2.268 12 L HA 0.354 4.698 4.340 0.007 0.000 0.289 12 L C 0.237 177.128 176.870 0.034 0.000 1.064 12 L CA -0.163 54.719 54.840 0.071 0.000 0.824 12 L CB 0.665 42.742 42.059 0.029 0.000 1.202 12 L HN 0.644 nan 8.230 nan 0.000 0.433 13 S N 0.671 116.393 115.700 0.036 0.000 2.578 13 S HA 0.782 5.256 4.470 0.007 0.000 0.301 13 S C 0.800 175.402 174.600 0.002 0.000 1.091 13 S CA 0.004 58.217 58.200 0.020 0.000 1.032 13 S CB 2.019 65.238 63.200 0.031 0.000 1.064 13 S HN 0.914 nan 8.310 nan 0.000 0.508 14 G N 0.696 109.494 108.800 -0.003 0.000 2.179 14 G HA2 -0.088 3.877 3.960 0.007 0.000 0.260 14 G HA3 -0.088 3.877 3.960 0.007 0.000 0.260 14 G C 0.530 175.416 174.900 -0.024 0.000 0.977 14 G CA 0.095 45.188 45.100 -0.011 0.000 0.641 14 G HN 1.355 nan 8.290 nan 0.000 0.533 15 G N -1.227 107.555 108.800 -0.031 0.000 2.583 15 G HA2 0.620 4.584 3.960 0.007 0.000 0.280 15 G HA3 0.620 4.584 3.960 0.007 0.000 0.280 15 G C -0.313 174.561 174.900 -0.045 0.000 1.376 15 G CA 0.430 45.501 45.100 -0.049 0.000 1.043 15 G HN 0.590 nan 8.290 nan 0.000 0.538 16 T N 0.205 114.722 114.554 -0.062 0.000 2.771 16 T HA 0.448 4.802 4.350 0.007 0.000 0.281 16 T C -0.225 174.444 174.700 -0.051 0.000 0.982 16 T CA -0.194 61.876 62.100 -0.050 0.000 0.978 16 T CB 1.546 70.383 68.868 -0.051 0.000 0.930 16 T HN 0.258 nan 8.240 nan 0.000 0.447 17 V N 5.303 125.200 119.914 -0.028 0.000 2.432 17 V HA 0.407 4.531 4.120 0.007 0.000 0.275 17 V C 0.099 176.199 176.094 0.009 0.000 1.043 17 V CA -0.553 61.739 62.300 -0.014 0.000 0.925 17 V CB 0.940 32.754 31.823 -0.015 0.000 0.985 17 V HN 0.794 nan 8.190 nan 0.000 0.466 18 I N 4.926 125.520 120.570 0.040 0.000 2.428 18 I HA 0.244 4.418 4.170 0.007 0.000 0.279 18 I C 0.583 176.758 176.117 0.096 0.000 1.040 18 I CA -0.498 60.851 61.300 0.081 0.000 1.171 18 I CB 1.444 39.528 38.000 0.140 0.000 1.312 18 I HN 0.747 nan 8.210 nan 0.000 0.470 19 D N 4.003 124.439 120.400 0.061 0.000 2.378 19 D HA -0.040 4.604 4.640 0.007 0.000 0.227 19 D C 1.434 177.784 176.300 0.083 0.000 1.012 19 D CA 0.792 54.820 54.000 0.046 0.000 0.905 19 D CB 0.177 40.974 40.800 -0.005 0.000 0.895 19 D HN 0.742 nan 8.370 nan 0.000 0.532 20 G N -0.288 108.599 108.800 0.145 0.000 2.159 20 G HA2 -0.313 3.651 3.960 0.007 0.000 0.256 20 G HA3 -0.313 3.651 3.960 0.007 0.000 0.256 20 G C 0.960 176.032 174.900 0.286 0.000 0.977 20 G CA 0.817 46.045 45.100 0.214 0.000 0.652 20 G HN 0.723 nan 8.290 nan 0.000 0.531 21 T N -2.423 112.235 114.554 0.174 0.000 3.145 21 T HA 0.372 4.726 4.350 0.007 0.000 0.255 21 T C 0.758 175.429 174.700 -0.048 0.000 1.039 21 T CA 0.730 62.907 62.100 0.127 0.000 0.928 21 T CB 0.103 68.991 68.868 0.035 0.000 1.029 21 T HN 1.217 nan 8.240 nan 0.000 0.554 22 N N 0.957 119.638 118.700 -0.032 0.000 2.753 22 N HA -0.121 4.624 4.740 0.007 0.000 0.252 22 N C -0.576 174.845 175.510 -0.148 0.000 1.071 22 N CA 0.728 53.657 53.050 -0.202 0.000 0.690 22 N CB -1.480 36.568 38.487 -0.732 0.000 0.906 22 N HN 1.005 nan 8.380 nan 0.000 0.552 23 A N 0.814 123.602 122.820 -0.053 0.000 2.449 23 A HA 0.783 5.108 4.320 0.007 0.000 0.302 23 A C -2.588 174.992 177.584 -0.008 0.000 1.048 23 A CA -1.295 50.717 52.037 -0.042 0.000 0.708 23 A CB 1.370 20.347 19.000 -0.037 0.000 1.274 23 A HN 0.128 nan 8.150 nan 0.000 0.410 24 P HA 0.193 nan 4.420 nan 0.000 0.265 24 P C 0.659 177.967 177.300 0.013 0.000 1.187 24 P CA 0.655 63.761 63.100 0.010 0.000 0.766 24 P CB 0.548 32.250 31.700 0.003 0.000 0.820 25 G N 2.763 111.577 108.800 0.024 0.000 2.554 25 G HA2 0.338 4.303 3.960 0.007 0.000 0.238 25 G HA3 0.338 4.303 3.960 0.007 0.000 0.238 25 G C -0.377 174.526 174.900 0.004 0.000 1.259 25 G CA -0.476 44.634 45.100 0.017 0.000 0.843 25 G HN 0.651 nan 8.290 nan 0.000 0.582 26 R N 1.036 121.535 120.500 -0.003 0.000 2.725 26 R HA 0.491 4.836 4.340 0.007 0.000 0.277 26 R C -0.890 175.403 176.300 -0.012 0.000 0.987 26 R CA -1.122 54.974 56.100 -0.007 0.000 0.901 26 R CB 1.379 31.674 30.300 -0.009 0.000 1.207 26 R HN 0.334 nan 8.270 nan 0.000 0.463 27 L N 2.200 123.416 121.223 -0.011 0.000 2.477 27 L HA 0.471 4.816 4.340 0.007 0.000 0.272 27 L C 0.011 176.873 176.870 -0.012 0.000 1.157 27 L CA 0.292 55.124 54.840 -0.013 0.000 0.889 27 L CB 0.798 42.851 42.059 -0.011 0.000 1.158 27 L HN 0.947 nan 8.230 nan 0.000 0.473 28 A N 3.266 126.077 122.820 -0.015 0.000 2.599 28 A HA 0.536 4.860 4.320 0.007 0.000 0.294 28 A C -1.624 175.952 177.584 -0.013 0.000 1.055 28 A CA -0.920 51.109 52.037 -0.013 0.000 0.683 28 A CB 1.241 20.232 19.000 -0.016 0.000 1.278 28 A HN 0.557 nan 8.150 nan 0.000 0.412 29 D N 0.113 120.509 120.400 -0.006 0.000 2.332 29 D HA 0.559 5.203 4.640 0.007 0.000 0.252 29 D C -0.621 175.666 176.300 -0.022 0.000 1.050 29 D CA -0.102 53.896 54.000 -0.003 0.000 0.970 29 D CB 1.902 42.714 40.800 0.021 0.000 1.141 29 D HN 0.277 nan 8.370 nan 0.000 0.485 30 V N 0.557 120.448 119.914 -0.038 0.000 2.443 30 V HA 0.554 4.678 4.120 0.007 0.000 0.293 30 V C 0.473 176.474 176.094 -0.156 0.000 1.021 30 V CA -0.860 61.383 62.300 -0.095 0.000 0.848 30 V CB 1.690 33.456 31.823 -0.094 0.000 0.998 30 V HN 0.618 nan 8.190 nan 0.000 0.424 31 G N 3.303 111.946 108.800 -0.263 0.000 2.371 31 G HA2 0.637 4.602 3.960 0.007 0.000 0.326 31 G HA3 0.637 4.602 3.960 0.007 0.000 0.326 31 G C -1.054 173.417 174.900 -0.715 0.000 1.127 31 G CA -0.450 44.364 45.100 -0.477 0.000 0.885 31 G HN 0.539 nan 8.290 nan 0.000 0.477 32 V N 2.102 121.555 119.914 -0.769 0.000 2.656 32 V HA 0.632 4.756 4.120 0.007 0.000 0.307 32 V C -0.053 175.734 176.094 -0.512 0.000 1.051 32 V CA -0.934 60.941 62.300 -0.709 0.000 0.893 32 V CB 1.966 33.204 31.823 -0.975 0.000 0.999 32 V HN 0.807 nan 8.190 nan 0.000 0.426 33 R N 2.616 122.927 120.500 -0.316 0.000 2.473 33 R HA 0.592 4.936 4.340 0.007 0.000 0.303 33 R C 0.593 176.860 176.300 -0.054 0.000 1.002 33 R CA 0.636 56.667 56.100 -0.115 0.000 0.884 33 R CB 1.399 31.676 30.300 -0.039 0.000 1.173 33 R HN 1.137 nan 8.270 nan 0.000 0.464 34 G N 3.974 112.778 108.800 0.007 0.000 2.561 34 G HA2 -0.405 3.560 3.960 0.007 0.000 0.289 34 G HA3 -0.405 3.560 3.960 0.007 0.000 0.289 34 G C 0.119 175.055 174.900 0.061 0.000 1.169 34 G CA 0.593 45.720 45.100 0.045 0.000 0.980 34 G HN 0.772 nan 8.290 nan 0.000 0.550 35 D N 0.976 121.425 120.400 0.081 0.000 2.340 35 D HA 0.225 4.870 4.640 0.007 0.000 0.217 35 D C 0.981 177.360 176.300 0.132 0.000 1.081 35 D CA 0.227 54.313 54.000 0.144 0.000 0.842 35 D CB 0.124 41.056 40.800 0.219 0.000 0.934 35 D HN 0.485 nan 8.370 nan 0.000 0.511 36 R N 0.377 120.881 120.500 0.007 0.000 2.778 36 R HA 0.508 4.852 4.340 0.007 0.000 0.277 36 R C -0.067 176.151 176.300 -0.137 0.000 0.977 36 R CA -0.915 55.144 56.100 -0.069 0.000 0.950 36 R CB 1.743 31.972 30.300 -0.118 0.000 1.165 36 R HN 0.056 nan 8.270 nan 0.000 0.474 37 I N 2.016 122.511 120.570 -0.126 0.000 2.379 37 I HA 0.059 4.234 4.170 0.007 0.000 0.290 37 I C 1.309 177.276 176.117 -0.249 0.000 1.063 37 I CA 0.059 61.242 61.300 -0.196 0.000 1.351 37 I CB 1.465 39.396 38.000 -0.115 0.000 1.410 37 I HN 0.722 nan 8.210 nan 0.000 0.505 38 A N 5.610 128.171 122.820 -0.431 0.000 1.975 38 A HA 0.557 4.881 4.320 0.007 0.000 0.215 38 A C 0.986 178.357 177.584 -0.354 0.000 1.170 38 A CA 1.033 52.794 52.037 -0.460 0.000 0.656 38 A CB 0.130 18.619 19.000 -0.852 0.000 0.821 38 A HN 0.775 nan 8.150 nan 0.000 0.449 39 A N -2.125 120.460 122.820 -0.392 0.000 2.601 39 A HA 0.593 4.918 4.320 0.007 0.000 0.291 39 A C -1.558 175.941 177.584 -0.141 0.000 1.075 39 A CA -0.285 51.647 52.037 -0.175 0.000 0.671 39 A CB 0.826 19.814 19.000 -0.019 0.000 1.277 39 A HN 0.637 nan 8.150 nan 0.000 0.417 40 V N 0.476 120.348 119.914 -0.071 0.000 2.733 40 V HA 0.872 4.996 4.120 0.007 0.000 0.306 40 V C 0.605 176.685 176.094 -0.024 0.000 1.084 40 V CA 0.545 62.811 62.300 -0.056 0.000 0.905 40 V CB 1.081 32.863 31.823 -0.068 0.000 1.010 40 V HN 2.599 nan 8.190 nan 0.000 0.424 41 G N 3.525 112.317 108.800 -0.012 0.000 2.247 41 G HA2 0.047 4.011 3.960 0.007 0.000 0.229 41 G HA3 0.047 4.011 3.960 0.007 0.000 0.229 41 G C -1.382 173.523 174.900 0.010 0.000 1.345 41 G CA -0.201 44.897 45.100 -0.002 0.000 1.100 41 G HN 0.697 nan 8.290 nan 0.000 0.473 42 D N 1.451 121.858 120.400 0.012 0.000 2.374 42 D HA 0.419 5.063 4.640 0.007 0.000 0.240 42 D C 1.211 177.528 176.300 0.029 0.000 1.229 42 D CA -0.184 53.825 54.000 0.015 0.000 0.895 42 D CB 0.307 41.112 40.800 0.008 0.000 1.046 42 D HN 0.361 nan 8.370 nan 0.000 0.498 43 L N 3.022 124.271 121.223 0.043 0.000 2.872 43 L HA 0.040 4.384 4.340 0.007 0.000 0.245 43 L C 2.094 178.984 176.870 0.034 0.000 1.211 43 L CA -0.179 54.703 54.840 0.070 0.000 1.013 43 L CB -0.066 42.079 42.059 0.144 0.000 1.326 43 L HN 0.296 nan 8.230 nan 0.000 0.525 44 S N 0.324 116.033 115.700 0.015 0.000 2.419 44 S HA -0.180 4.294 4.470 0.007 0.000 0.235 44 S C 1.878 176.466 174.600 -0.021 0.000 1.019 44 S CA 1.009 59.209 58.200 -0.000 0.000 0.982 44 S CB -0.131 63.069 63.200 -0.001 0.000 0.789 44 S HN 0.421 nan 8.310 nan 0.000 0.490 45 A N 0.707 123.511 122.820 -0.026 0.000 2.251 45 A HA 0.468 4.792 4.320 0.007 0.000 0.209 45 A C 0.933 178.460 177.584 -0.094 0.000 1.187 45 A CA -0.197 51.812 52.037 -0.047 0.000 0.823 45 A CB -0.114 18.867 19.000 -0.032 0.000 0.846 45 A HN 0.394 nan 8.150 nan 0.000 0.486 46 S N 0.404 116.027 115.700 -0.128 0.000 2.457 46 S HA 0.375 4.849 4.470 0.007 0.000 0.289 46 S C 0.278 174.668 174.600 -0.349 0.000 1.163 46 S CA -0.372 57.638 58.200 -0.317 0.000 1.078 46 S CB 1.290 64.224 63.200 -0.444 0.000 0.987 46 S HN 0.415 nan 8.310 nan 0.000 0.482 47 S N 2.565 118.040 115.700 -0.375 0.000 2.549 47 S HA 0.558 5.032 4.470 0.007 0.000 0.283 47 S C -0.144 174.277 174.600 -0.299 0.000 1.320 47 S CA -0.378 57.667 58.200 -0.258 0.000 1.058 47 S CB 0.075 63.157 63.200 -0.197 0.000 0.882 47 S HN 0.909 nan 8.310 nan 0.000 0.498 48 A N 4.569 127.317 122.820 -0.119 0.000 2.520 48 A HA 0.558 4.882 4.320 0.007 0.000 0.298 48 A C 0.523 178.129 177.584 0.036 0.000 1.051 48 A CA -0.831 51.202 52.037 -0.007 0.000 0.690 48 A CB 1.132 20.178 19.000 0.076 0.000 1.281 48 A HN 0.898 nan 8.150 nan 0.000 0.402 49 R N -0.051 120.495 120.500 0.077 0.000 2.189 49 R HA 0.048 4.392 4.340 0.007 0.000 0.218 49 R C -0.013 176.339 176.300 0.087 0.000 1.074 49 R CA 0.972 57.117 56.100 0.074 0.000 0.991 49 R CB 0.061 30.413 30.300 0.087 0.000 0.883 49 R HN 0.646 nan 8.270 nan 0.000 0.457 50 R N -0.295 120.281 120.500 0.125 0.000 2.626 50 R HA 0.348 4.692 4.340 0.007 0.000 0.274 50 R C -1.024 175.361 176.300 0.141 0.000 1.031 50 R CA -0.749 55.425 56.100 0.123 0.000 0.898 50 R CB 2.287 32.671 30.300 0.140 0.000 1.222 50 R HN -0.120 nan 8.270 nan 0.000 0.455 51 R N 3.206 123.767 120.500 0.101 0.000 2.407 51 R HA 0.397 4.741 4.340 0.007 0.000 0.298 51 R C -0.860 175.490 176.300 0.082 0.000 1.166 51 R CA -0.385 55.772 56.100 0.095 0.000 1.006 51 R CB 0.730 31.067 30.300 0.063 0.000 1.145 51 R HN 0.544 nan 8.270 nan 0.000 0.538 52 I N 2.740 123.371 120.570 0.102 0.000 2.352 52 I HA 0.069 4.243 4.170 0.007 0.000 0.290 52 I C 0.185 176.336 176.117 0.057 0.000 1.036 52 I CA -0.405 60.946 61.300 0.084 0.000 1.336 52 I CB 1.058 39.123 38.000 0.109 0.000 1.407 52 I HN 0.455 nan 8.210 nan 0.000 0.497 53 D N 6.883 127.304 120.400 0.036 0.000 2.339 53 D HA 0.175 4.819 4.640 0.007 0.000 0.256 53 D C 0.379 176.659 176.300 -0.033 0.000 1.214 53 D CA -0.259 53.746 54.000 0.007 0.000 0.877 53 D CB 1.062 41.866 40.800 0.007 0.000 1.111 53 D HN 0.328 nan 8.370 nan 0.000 0.478 54 V N 1.936 121.820 119.914 -0.049 0.000 2.854 54 V HA 0.616 4.740 4.120 0.007 0.000 0.366 54 V C 0.592 176.633 176.094 -0.089 0.000 1.322 54 V CA -0.502 61.732 62.300 -0.110 0.000 1.243 54 V CB -0.314 31.454 31.823 -0.092 0.000 1.337 54 V HN 0.595 nan 8.190 nan 0.000 0.585 55 A N 0.759 123.543 122.820 -0.060 0.000 2.540 55 A HA 0.514 4.838 4.320 0.007 0.000 0.239 55 A C 1.710 179.265 177.584 -0.050 0.000 1.061 55 A CA 1.010 53.021 52.037 -0.043 0.000 0.758 55 A CB -0.474 18.511 19.000 -0.025 0.000 0.991 55 A HN 2.174 nan 8.150 nan 0.000 0.502 56 G N 1.398 110.172 108.800 -0.043 0.000 2.179 56 G HA2 -0.207 3.758 3.960 0.007 0.000 0.260 56 G HA3 -0.207 3.758 3.960 0.007 0.000 0.260 56 G C 0.312 175.176 174.900 -0.059 0.000 0.977 56 G CA 0.758 45.836 45.100 -0.037 0.000 0.641 56 G HN 0.778 nan 8.290 nan 0.000 0.533 57 K N -0.254 120.090 120.400 -0.093 0.000 2.211 57 K HA 0.782 5.106 4.320 0.007 0.000 0.237 57 K C -0.161 176.317 176.600 -0.203 0.000 1.002 57 K CA -0.816 55.385 56.287 -0.144 0.000 0.885 57 K CB 2.236 34.647 32.500 -0.150 0.000 1.136 57 K HN 0.123 nan 8.250 nan 0.000 0.448 58 V N 1.317 121.002 119.914 -0.382 0.000 2.513 58 V HA 0.296 4.420 4.120 0.007 0.000 0.299 58 V C -0.548 175.346 176.094 -0.333 0.000 1.035 58 V CA -0.914 61.120 62.300 -0.443 0.000 0.889 58 V CB 1.990 33.309 31.823 -0.840 0.000 0.988 58 V HN 0.378 nan 8.190 nan 0.000 0.440 59 V N 4.826 124.658 119.914 -0.137 0.000 2.357 59 V HA 0.657 4.781 4.120 0.007 0.000 0.284 59 V C 0.169 176.289 176.094 0.042 0.000 1.018 59 V CA -0.148 62.139 62.300 -0.021 0.000 0.841 59 V CB 1.476 33.291 31.823 -0.014 0.000 0.991 59 V HN 1.029 nan 8.190 nan 0.000 0.437 60 S N 5.776 121.560 115.700 0.140 0.000 2.740 60 S HA 0.834 5.308 4.470 0.007 0.000 0.300 60 S C -3.148 171.544 174.600 0.153 0.000 1.147 60 S CA -1.966 56.359 58.200 0.209 0.000 0.871 60 S CB 2.548 66.016 63.200 0.447 0.000 1.173 60 S HN 0.397 nan 8.310 nan 0.000 0.510 61 P HA 0.339 nan 4.420 nan 0.000 0.274 61 P C 0.084 177.412 177.300 0.047 0.000 1.246 61 P CA -0.058 63.113 63.100 0.118 0.000 0.795 61 P CB 0.069 31.859 31.700 0.151 0.000 1.006 62 G N 0.843 109.636 108.800 -0.011 0.000 2.491 62 G HA2 0.273 4.237 3.960 0.007 0.000 0.242 62 G HA3 0.273 4.237 3.960 0.007 0.000 0.242 62 G C -0.691 174.159 174.900 -0.082 0.000 1.266 62 G CA -0.244 44.755 45.100 -0.169 0.000 0.844 62 G HN 0.211 nan 8.290 nan 0.000 0.571 63 F N 0.445 120.303 119.950 -0.152 0.000 2.443 63 F HA 0.356 4.888 4.527 0.009 0.000 0.353 63 F C 0.902 176.488 175.800 -0.356 0.000 1.101 63 F CA -1.202 56.616 58.000 -0.304 0.000 1.226 63 F CB 0.706 39.357 39.000 -0.581 0.000 1.140 63 F HN 0.132 nan 8.300 nan 0.000 0.557 64 I N 3.052 123.578 120.570 -0.073 0.000 2.330 64 I HA 0.135 4.310 4.170 0.007 0.000 0.289 64 I C -0.138 175.914 176.117 -0.109 0.000 1.001 64 I CA -0.659 60.579 61.300 -0.104 0.000 1.193 64 I CB 1.101 39.082 38.000 -0.032 0.000 1.345 64 I HN 0.392 nan 8.210 nan 0.000 0.461 65 D N 4.783 125.104 120.400 -0.132 0.000 2.374 65 D HA 0.039 4.683 4.640 0.007 0.000 0.240 65 D C 1.306 177.613 176.300 0.013 0.000 1.229 65 D CA 0.030 54.087 54.000 0.094 0.000 0.895 65 D CB 1.115 41.963 40.800 0.080 0.000 1.046 65 D HN 0.608 nan 8.370 nan 0.000 0.498 66 S N 3.021 118.773 115.700 0.087 0.000 2.474 66 S HA -0.165 4.309 4.470 0.007 0.000 0.235 66 S C 0.769 175.374 174.600 0.008 0.000 0.997 66 S CA 0.574 58.765 58.200 -0.015 0.000 0.949 66 S CB -0.132 63.215 63.200 0.244 0.000 0.766 66 S HN 0.613 nan 8.310 nan 0.000 0.517 67 H N 1.099 120.160 119.070 -0.017 0.000 3.036 67 H HA 0.488 5.049 4.556 0.008 0.000 0.295 67 H C -0.411 174.848 175.328 -0.114 0.000 1.124 67 H CA 0.079 56.094 56.048 -0.055 0.000 1.507 67 H CB 0.997 30.777 29.762 0.031 0.000 1.591 67 H HN 0.335 nan 8.280 nan 0.000 0.510 68 T N 0.688 114.998 114.554 -0.406 0.000 2.916 68 T HA 0.311 4.665 4.350 0.007 0.000 0.292 68 T C -0.294 174.070 174.700 -0.559 0.000 1.064 68 T CA -0.848 61.053 62.100 -0.331 0.000 1.011 68 T CB 1.671 70.431 68.868 -0.179 0.000 1.152 68 T HN 0.640 nan 8.240 nan 0.000 0.510 69 H N 0.891 119.921 119.070 -0.067 0.000 2.591 69 H HA 0.291 4.851 4.556 0.007 0.000 0.241 69 H C -0.414 174.912 175.328 -0.004 0.000 1.292 69 H CA -0.437 55.597 56.048 -0.022 0.000 1.022 69 H CB 0.303 30.084 29.762 0.032 0.000 1.875 69 H HN 0.635 nan 8.280 nan 0.000 0.570 70 D N 0.219 120.633 120.400 0.023 0.000 2.328 70 D HA -0.026 4.618 4.640 0.007 0.000 0.221 70 D C 0.992 177.363 176.300 0.119 0.000 1.072 70 D CA 0.057 54.090 54.000 0.055 0.000 0.850 70 D CB 0.366 41.159 40.800 -0.011 0.000 0.922 70 D HN 0.336 nan 8.370 nan 0.000 0.516 71 D N 0.898 121.352 120.400 0.091 0.000 2.204 71 D HA -0.233 4.411 4.640 0.007 0.000 0.189 71 D C 1.722 178.101 176.300 0.131 0.000 1.006 71 D CA 1.308 55.347 54.000 0.064 0.000 0.855 71 D CB -0.117 40.630 40.800 -0.089 0.000 0.946 71 D HN 0.134 nan 8.370 nan 0.000 0.448 72 N N -1.597 117.190 118.700 0.145 0.000 2.395 72 N HA -0.090 4.654 4.740 0.007 0.000 0.175 72 N C 1.439 177.102 175.510 0.256 0.000 1.029 72 N CA 0.300 53.449 53.050 0.164 0.000 0.897 72 N CB -0.207 38.312 38.487 0.053 0.000 0.991 72 N HN 0.144 nan 8.380 nan 0.000 0.441 73 Y N 1.076 121.490 120.300 0.189 0.000 2.207 73 Y HA -0.047 4.507 4.550 0.008 0.000 0.287 73 Y C 1.794 177.723 175.900 0.049 0.000 1.156 73 Y CA 1.342 59.502 58.100 0.100 0.000 1.182 73 Y CB -0.171 38.220 38.460 -0.116 0.000 0.979 73 Y HN 0.084 nan 8.280 nan 0.000 0.521 74 L N -0.921 120.370 121.223 0.115 0.000 2.187 74 L HA -0.263 4.081 4.340 0.007 0.000 0.213 74 L C 2.106 178.939 176.870 -0.062 0.000 1.100 74 L CA 1.120 55.966 54.840 0.009 0.000 0.765 74 L CB -0.476 41.585 42.059 0.003 0.000 0.904 74 L HN 0.285 nan 8.230 nan 0.000 0.437 75 L N -1.162 120.036 121.223 -0.042 0.000 2.168 75 L HA -0.047 4.297 4.340 0.007 0.000 0.203 75 L C 2.460 179.239 176.870 -0.151 0.000 1.078 75 L CA 0.618 55.414 54.840 -0.072 0.000 0.780 75 L CB -0.309 41.760 42.059 0.016 0.000 0.939 75 L HN 0.089 nan 8.230 nan 0.000 0.451 76 K N -0.915 119.355 120.400 -0.216 0.000 2.305 76 K HA 0.089 4.414 4.320 0.007 0.000 0.199 76 K C 0.197 176.269 176.600 -0.880 0.000 1.047 76 K CA 0.813 56.821 56.287 -0.465 0.000 0.976 76 K CB 0.136 32.391 32.500 -0.409 0.000 0.765 76 K HN 0.338 nan 8.250 nan 0.000 0.474 77 H N 0.302 119.108 119.070 -0.441 0.000 2.429 77 H HA 0.278 4.838 4.556 0.007 0.000 0.231 77 H C 0.526 175.646 175.328 -0.347 0.000 1.416 77 H CA -0.188 55.562 56.048 -0.497 0.000 1.443 77 H CB 0.590 29.730 29.762 -1.035 0.000 1.591 77 H HN -0.016 nan 8.280 nan 0.000 0.507 78 R N 0.603 121.017 120.500 -0.142 0.000 2.211 78 R HA -0.138 4.207 4.340 0.007 0.000 0.240 78 R C 1.559 177.736 176.300 -0.205 0.000 1.144 78 R CA 1.703 57.759 56.100 -0.073 0.000 0.992 78 R CB 0.081 30.419 30.300 0.063 0.000 0.869 78 R HN 0.580 nan 8.270 nan 0.000 0.462 79 D N 0.601 120.778 120.400 -0.373 0.000 2.178 79 D HA -0.205 4.439 4.640 0.007 0.000 0.201 79 D C 0.720 176.651 176.300 -0.615 0.000 0.980 79 D CA 0.624 54.032 54.000 -0.986 0.000 0.842 79 D CB -0.069 40.346 40.800 -0.642 0.000 0.948 79 D HN 0.041 nan 8.370 nan 0.000 0.472 80 M N 0.801 120.250 119.600 -0.251 0.000 2.393 80 M HA -0.179 4.306 4.480 0.007 0.000 0.201 80 M C 0.805 176.973 176.300 -0.219 0.000 0.403 80 M CA 0.610 55.837 55.300 -0.122 0.000 0.471 80 M CB -2.890 29.623 32.600 -0.145 0.000 1.669 80 M HN 0.088 nan 8.290 nan 0.000 0.864 81 T N 0.094 114.539 114.554 -0.183 0.000 2.699 81 T HA -0.140 4.214 4.350 0.007 0.000 0.268 81 T C -0.698 173.660 174.700 -0.569 0.000 1.036 81 T CA 2.072 64.049 62.100 -0.205 0.000 1.147 81 T CB -0.648 68.276 68.868 0.093 0.000 0.862 81 T HN 0.382 nan 8.240 nan 0.000 0.446 82 P HA -0.093 nan 4.420 nan 0.000 0.217 82 P C 1.487 178.260 177.300 -0.879 0.000 1.148 82 P CA 1.223 63.328 63.100 -1.659 0.000 0.828 82 P CB 0.061 30.848 31.700 -1.523 0.000 0.783 83 K N -0.658 119.408 120.400 -0.557 0.000 2.190 83 K HA 0.137 4.461 4.320 0.007 0.000 0.202 83 K C 2.125 178.514 176.600 -0.351 0.000 1.045 83 K CA 0.848 56.920 56.287 -0.358 0.000 0.976 83 K CB -1.073 31.267 32.500 -0.267 0.000 0.849 83 K HN 0.274 nan 8.250 nan 0.000 0.468 84 I N 0.483 120.826 120.570 -0.377 0.000 2.454 84 I HA -0.164 4.010 4.170 0.007 0.000 0.254 84 I C 1.975 177.651 176.117 -0.734 0.000 1.156 84 I CA 1.555 62.623 61.300 -0.387 0.000 1.433 84 I CB -0.661 37.219 38.000 -0.201 0.000 1.082 84 I HN -0.052 nan 8.210 nan 0.000 0.432 85 S N 0.544 115.643 115.700 -1.001 0.000 2.507 85 S HA -0.095 4.380 4.470 0.007 0.000 0.235 85 S C 1.754 176.004 174.600 -0.582 0.000 0.988 85 S CA 0.647 58.010 58.200 -1.394 0.000 0.944 85 S CB -0.425 62.212 63.200 -0.939 0.000 0.762 85 S HN 0.699 nan 8.310 nan 0.000 0.526 86 Q N 0.160 119.762 119.800 -0.329 0.000 2.319 86 Q HA 0.348 4.692 4.340 0.007 0.000 0.209 86 Q C 1.179 177.212 176.000 0.056 0.000 0.884 86 Q CA 0.283 56.066 55.803 -0.034 0.000 0.938 86 Q CB 0.603 29.406 28.738 0.108 0.000 1.098 86 Q HN 0.749 nan 8.270 nan 0.000 0.517 87 G N 0.703 109.404 108.800 -0.164 0.000 2.159 87 G HA2 -0.214 3.751 3.960 0.007 0.000 0.227 87 G HA3 -0.214 3.751 3.960 0.007 0.000 0.227 87 G C 0.105 174.764 174.900 -0.402 0.000 0.986 87 G CA -0.195 44.714 45.100 -0.318 0.000 0.651 87 G HN 0.176 nan 8.290 nan 0.000 0.523 88 V N 1.793 121.548 119.914 -0.265 0.000 2.555 88 V HA 0.491 4.615 4.120 0.007 0.000 0.286 88 V C 1.629 177.584 176.094 -0.232 0.000 1.044 88 V CA 1.276 63.396 62.300 -0.299 0.000 1.026 88 V CB 1.297 32.925 31.823 -0.326 0.000 0.981 88 V HN 0.730 nan 8.190 nan 0.000 0.480 89 T N -0.406 114.033 114.554 -0.192 0.000 2.975 89 T HA 0.197 4.551 4.350 0.007 0.000 0.257 89 T C 0.521 175.156 174.700 -0.108 0.000 1.003 89 T CA 0.017 62.042 62.100 -0.125 0.000 0.932 89 T CB 0.450 69.267 68.868 -0.085 0.000 1.087 89 T HN 0.569 nan 8.240 nan 0.000 0.512 90 T N 2.250 116.727 114.554 -0.127 0.000 2.952 90 T HA 0.643 4.998 4.350 0.007 0.000 0.305 90 T C -1.105 173.508 174.700 -0.144 0.000 1.064 90 T CA -0.675 61.352 62.100 -0.121 0.000 1.008 90 T CB 2.267 71.073 68.868 -0.102 0.000 1.078 90 T HN 0.447 nan 8.240 nan 0.000 0.459 91 V N 0.362 120.191 119.914 -0.141 0.000 2.680 91 V HA 0.887 5.011 4.120 0.007 0.000 0.309 91 V C -0.540 175.442 176.094 -0.186 0.000 1.052 91 V CA -0.908 61.300 62.300 -0.153 0.000 0.908 91 V CB 1.743 33.491 31.823 -0.125 0.000 1.001 91 V HN 0.625 nan 8.190 nan 0.000 0.431 92 V N 4.595 124.355 119.914 -0.255 0.000 2.364 92 V HA 0.581 4.705 4.120 0.007 0.000 0.272 92 V C 0.847 176.791 176.094 -0.249 0.000 1.036 92 V CA 0.526 62.629 62.300 -0.328 0.000 0.880 92 V CB 1.231 32.681 31.823 -0.622 0.000 0.991 92 V HN 1.244 nan 8.190 nan 0.000 0.460 93 T N 0.924 115.384 114.554 -0.156 0.000 2.922 93 T HA 0.680 5.034 4.350 0.007 0.000 0.281 93 T C 0.761 175.413 174.700 -0.080 0.000 1.005 93 T CA -0.029 62.003 62.100 -0.114 0.000 0.982 93 T CB 1.596 70.452 68.868 -0.020 0.000 1.158 93 T HN 1.816 nan 8.240 nan 0.000 0.566 94 G N 1.203 109.973 108.800 -0.049 0.000 2.324 94 G HA2 -0.208 3.756 3.960 0.007 0.000 0.292 94 G HA3 -0.208 3.756 3.960 0.007 0.000 0.292 94 G C -0.349 174.549 174.900 -0.004 0.000 1.079 94 G CA -0.019 45.088 45.100 0.011 0.000 1.026 94 G HN 1.016 nan 8.290 nan 0.000 0.506 95 N N -1.501 117.158 118.700 -0.068 0.000 2.482 95 N HA 0.562 5.306 4.740 0.007 0.000 0.279 95 N C 1.250 176.897 175.510 0.229 0.000 1.182 95 N CA 0.057 53.072 53.050 -0.059 0.000 0.969 95 N CB 0.889 39.043 38.487 -0.555 0.000 1.201 95 N HN 0.639 nan 8.380 nan 0.000 0.523 96 C N 0.714 120.195 119.300 0.302 0.000 4.274 96 C HA -0.110 4.354 4.460 0.007 0.000 0.297 96 C C 1.468 176.654 174.990 0.326 0.000 1.446 96 C CA 0.624 59.904 59.018 0.436 0.000 2.016 96 C CB -2.686 25.493 27.740 0.731 0.000 1.273 96 C HN 1.194 nan 8.230 nan 0.000 0.782 97 G N -0.823 108.109 108.800 0.220 0.000 2.179 97 G HA2 -0.291 3.674 3.960 0.007 0.000 0.260 97 G HA3 -0.291 3.674 3.960 0.007 0.000 0.260 97 G C -0.146 174.847 174.900 0.155 0.000 0.977 97 G CA 0.351 45.570 45.100 0.197 0.000 0.641 97 G HN 0.881 nan 8.290 nan 0.000 0.533 98 I N 2.553 123.223 120.570 0.167 0.000 2.337 98 I HA 0.493 4.667 4.170 0.007 0.000 0.285 98 I C 0.490 176.694 176.117 0.145 0.000 1.041 98 I CA -0.179 61.208 61.300 0.145 0.000 1.199 98 I CB 1.426 39.505 38.000 0.130 0.000 1.370 98 I HN 0.284 nan 8.210 nan 0.000 0.470 99 S N 5.045 120.822 115.700 0.128 0.000 2.566 99 S HA 0.446 4.920 4.470 0.007 0.000 0.298 99 S C 0.362 174.980 174.600 0.030 0.000 1.083 99 S CA -0.843 57.397 58.200 0.066 0.000 0.978 99 S CB 2.373 65.640 63.200 0.112 0.000 1.073 99 S HN 0.503 nan 8.310 nan 0.000 0.491 100 L N 1.503 122.590 121.223 -0.226 0.000 2.093 100 L HA 0.349 4.693 4.340 0.007 0.000 0.208 100 L C 0.856 177.598 176.870 -0.214 0.000 1.085 100 L CA 1.997 56.581 54.840 -0.428 0.000 0.755 100 L CB -0.950 40.726 42.059 -0.638 0.000 0.904 100 L HN 0.984 nan 8.230 nan 0.000 0.435 101 A N -0.650 122.032 122.820 -0.231 0.000 2.384 101 A HA 0.778 5.102 4.320 0.007 0.000 0.312 101 A C -2.646 175.092 177.584 0.256 0.000 1.113 101 A CA -1.392 50.655 52.037 0.016 0.000 0.779 101 A CB 0.980 19.875 19.000 -0.175 0.000 1.307 101 A HN 0.068 nan 8.150 nan 0.000 0.436 102 P HA 0.559 nan 4.420 nan 0.000 0.297 102 P C -1.420 176.007 177.300 0.211 0.000 1.331 102 P CA -0.222 63.019 63.100 0.236 0.000 0.803 102 P CB 1.270 33.105 31.700 0.226 0.000 0.929 103 L N 3.064 124.432 121.223 0.242 0.000 2.905 103 L HA 0.557 4.901 4.340 0.007 0.000 0.260 103 L C -1.605 175.420 176.870 0.258 0.000 0.933 103 L CA -0.440 54.546 54.840 0.243 0.000 1.034 103 L CB 1.382 43.614 42.059 0.287 0.000 1.550 103 L HN 0.426 nan 8.230 nan 0.000 0.480 104 A N 3.879 126.799 122.820 0.167 0.000 2.412 104 A HA 0.703 5.027 4.320 0.007 0.000 0.334 104 A C -1.104 176.549 177.584 0.116 0.000 1.419 104 A CA -0.229 51.880 52.037 0.120 0.000 0.930 104 A CB -0.160 18.868 19.000 0.048 0.000 1.149 104 A HN 0.710 nan 8.150 nan 0.000 0.515 105 H N 1.876 120.976 119.070 0.049 0.000 2.865 105 H HA 0.583 5.143 4.556 0.007 0.000 0.362 105 H C 0.294 175.607 175.328 -0.025 0.000 1.114 105 H CA 0.057 56.088 56.048 -0.028 0.000 1.208 105 H CB 2.236 31.927 29.762 -0.119 0.000 1.727 105 H HN 0.446 nan 8.280 nan 0.000 0.534 106 A N 3.417 126.407 122.820 0.283 0.000 2.178 106 A HA 0.075 4.399 4.320 0.007 0.000 0.211 106 A C 0.252 177.936 177.584 0.166 0.000 1.157 106 A CA 0.267 52.406 52.037 0.170 0.000 0.780 106 A CB 0.158 19.195 19.000 0.062 0.000 0.828 106 A HN 0.631 nan 8.150 nan 0.000 0.476 107 N N 0.710 119.591 118.700 0.301 0.000 2.697 107 N HA 0.186 4.930 4.740 0.007 0.000 0.253 107 N C -3.269 171.898 175.510 -0.571 0.000 1.604 107 N CA -0.672 52.349 53.050 -0.048 0.000 0.772 107 N CB 1.219 39.748 38.487 0.070 0.000 1.267 107 N HN 0.230 nan 8.380 nan 0.000 0.510 108 P HA 0.144 nan 4.420 nan 0.000 0.268 108 P C -2.513 174.461 177.300 -0.543 0.000 1.205 108 P CA -0.546 61.959 63.100 -0.992 0.000 0.771 108 P CB 0.265 31.235 31.700 -1.216 0.000 0.858 109 P HA 0.110 nan 4.420 nan 0.000 0.271 109 P C -0.188 177.006 177.300 -0.176 0.000 1.218 109 P CA -0.147 62.820 63.100 -0.222 0.000 0.780 109 P CB 0.536 32.137 31.700 -0.166 0.000 0.901 110 A N 4.986 127.745 122.820 -0.102 0.000 2.483 110 A HA 0.226 4.550 4.320 0.007 0.000 0.238 110 A C -1.288 176.222 177.584 -0.125 0.000 1.070 110 A CA -0.857 51.136 52.037 -0.074 0.000 0.770 110 A CB -0.847 18.143 19.000 -0.017 0.000 1.008 110 A HN 0.484 nan 8.150 nan 0.000 0.497 111 P HA 0.082 nan 4.420 nan 0.000 0.256 111 P C 0.697 177.912 177.300 -0.142 0.000 1.384 111 P CA -0.024 62.934 63.100 -0.236 0.000 0.879 111 P CB 0.180 31.522 31.700 -0.595 0.000 1.403 112 L N 1.698 122.844 121.223 -0.129 0.000 2.191 112 L HA -0.160 4.184 4.340 0.007 0.000 0.212 112 L C 1.976 178.854 176.870 0.014 0.000 1.103 112 L CA 1.947 56.748 54.840 -0.065 0.000 0.769 112 L CB -1.362 40.543 42.059 -0.256 0.000 0.908 112 L HN 0.095 nan 8.230 nan 0.000 0.438 113 D N -1.035 119.337 120.400 -0.047 0.000 2.378 113 D HA -0.204 4.440 4.640 0.007 0.000 0.222 113 D C 1.996 178.287 176.300 -0.015 0.000 0.980 113 D CA 0.693 54.689 54.000 -0.006 0.000 0.907 113 D CB -0.547 40.267 40.800 0.025 0.000 0.899 113 D HN 0.328 nan 8.370 nan 0.000 0.527 114 L N -0.512 120.736 121.223 0.042 0.000 2.362 114 L HA -0.012 4.332 4.340 0.007 0.000 0.219 114 L C 2.001 178.864 176.870 -0.012 0.000 1.134 114 L CA 0.631 55.488 54.840 0.028 0.000 0.807 114 L CB -0.156 41.928 42.059 0.042 0.000 0.927 114 L HN 0.087 nan 8.230 nan 0.000 0.447 115 L N -1.887 119.336 121.223 -0.000 0.000 2.640 115 L HA 0.168 4.512 4.340 0.007 0.000 0.230 115 L C 0.297 176.948 176.870 -0.365 0.000 1.123 115 L CA -0.235 54.542 54.840 -0.104 0.000 0.900 115 L CB -0.009 42.049 42.059 -0.002 0.000 1.146 115 L HN 0.027 nan 8.230 nan 0.000 0.484 116 D N 0.979 121.267 120.400 -0.187 0.000 2.256 116 D HA 0.113 4.757 4.640 0.007 0.000 0.250 116 D C 0.445 176.573 176.300 -0.287 0.000 1.093 116 D CA 0.152 54.071 54.000 -0.136 0.000 0.882 116 D CB 1.417 42.270 40.800 0.088 0.000 1.185 116 D HN 0.108 nan 8.370 nan 0.000 0.437 117 E N 0.966 121.043 120.200 -0.205 0.000 2.583 117 E HA 0.329 4.683 4.350 0.007 0.000 0.213 117 E C 0.050 176.607 176.600 -0.071 0.000 0.989 117 E CA -0.385 55.935 56.400 -0.134 0.000 0.991 117 E CB 0.875 30.535 29.700 -0.067 0.000 1.040 117 E HN 0.622 nan 8.360 nan 0.000 0.481 118 G N 0.174 108.943 108.800 -0.051 0.000 3.199 118 G HA2 0.100 4.064 3.960 0.007 0.000 0.680 118 G HA3 0.100 4.064 3.960 0.007 0.000 0.680 118 G C 0.505 175.400 174.900 -0.008 0.000 1.197 118 G CA -0.304 44.783 45.100 -0.022 0.000 1.143 118 G HN 0.403 nan 8.290 nan 0.000 0.492 119 G N 0.513 109.328 108.800 0.026 0.000 2.160 119 G HA2 -0.125 3.839 3.960 0.007 0.000 0.251 119 G HA3 -0.125 3.839 3.960 0.007 0.000 0.251 119 G C 1.517 176.423 174.900 0.010 0.000 1.008 119 G CA 1.084 46.200 45.100 0.026 0.000 0.724 119 G HN 1.798 nan 8.290 nan 0.000 0.514 120 S N -0.777 114.940 115.700 0.030 0.000 2.428 120 S HA 0.152 4.626 4.470 0.007 0.000 0.230 120 S C 0.883 175.405 174.600 -0.129 0.000 1.014 120 S CA 0.391 58.546 58.200 -0.074 0.000 0.957 120 S CB -0.082 63.028 63.200 -0.151 0.000 0.784 120 S HN 0.395 nan 8.310 nan 0.000 0.499 121 F N 2.969 122.894 119.950 -0.041 0.000 2.566 121 F HA 0.235 4.766 4.527 0.007 0.000 0.349 121 F C 1.492 177.254 175.800 -0.064 0.000 1.245 121 F CA -0.434 57.562 58.000 -0.007 0.000 1.169 121 F CB -0.067 38.942 39.000 0.016 0.000 1.470 121 F HN 0.137 nan 8.300 nan 0.000 0.634 122 R N 0.175 120.592 120.500 -0.138 0.000 2.509 122 R HA 0.236 4.580 4.340 0.007 0.000 0.297 122 R C -0.881 175.188 176.300 -0.385 0.000 0.951 122 R CA -0.212 55.718 56.100 -0.283 0.000 1.103 122 R CB -0.082 29.960 30.300 -0.430 0.000 1.283 122 R HN 0.176 nan 8.270 nan 0.000 0.534 123 F N 1.458 121.425 119.950 0.029 0.000 2.371 123 F HA 0.457 4.989 4.527 0.007 0.000 0.363 123 F C 1.347 177.181 175.800 0.057 0.000 1.122 123 F CA -0.745 57.273 58.000 0.030 0.000 1.129 123 F CB 1.762 40.770 39.000 0.013 0.000 1.173 123 F HN 0.076 nan 8.300 nan 0.000 0.489 124 A N 4.340 127.270 122.820 0.184 0.000 2.014 124 A HA 0.094 4.418 4.320 0.007 0.000 0.218 124 A C 1.076 178.756 177.584 0.161 0.000 1.163 124 A CA 0.846 52.967 52.037 0.140 0.000 0.652 124 A CB -0.029 19.023 19.000 0.087 0.000 0.808 124 A HN 0.689 nan 8.150 nan 0.000 0.449 125 R N -3.165 117.451 120.500 0.193 0.000 2.795 125 R HA 0.468 4.813 4.340 0.007 0.000 0.275 125 R C 0.013 176.442 176.300 0.215 0.000 0.981 125 R CA -0.746 55.467 56.100 0.188 0.000 0.917 125 R CB 0.973 31.359 30.300 0.144 0.000 1.202 125 R HN 0.183 nan 8.270 nan 0.000 0.469 126 F N 1.417 121.412 119.950 0.074 0.000 2.171 126 F HA -0.228 4.304 4.527 0.007 0.000 0.300 126 F C 2.291 178.126 175.800 0.058 0.000 1.090 126 F CA 2.339 60.374 58.000 0.058 0.000 1.293 126 F CB 0.121 39.140 39.000 0.032 0.000 1.013 126 F HN 0.620 nan 8.300 nan 0.000 0.486 127 S N -0.707 115.099 115.700 0.177 0.000 2.399 127 S HA -0.215 4.260 4.470 0.007 0.000 0.231 127 S C 1.749 176.334 174.600 -0.024 0.000 1.022 127 S CA 1.437 59.678 58.200 0.067 0.000 0.983 127 S CB -0.701 62.550 63.200 0.084 0.000 0.803 127 S HN 0.395 nan 8.310 nan 0.000 0.480 128 D N 0.448 120.866 120.400 0.030 0.000 2.144 128 D HA -0.073 4.572 4.640 0.007 0.000 0.199 128 D C 1.585 177.818 176.300 -0.112 0.000 0.984 128 D CA 1.186 55.227 54.000 0.069 0.000 0.834 128 D CB -0.444 40.509 40.800 0.254 0.000 0.955 128 D HN 0.604 nan 8.370 nan 0.000 0.465 129 Y N 1.568 121.538 120.300 -0.550 0.000 2.163 129 Y HA -0.112 4.442 4.550 0.007 0.000 0.288 129 Y C 2.172 177.653 175.900 -0.698 0.000 1.136 129 Y CA 1.221 58.634 58.100 -1.145 0.000 1.147 129 Y CB -0.509 37.213 38.460 -1.231 0.000 0.987 129 Y HN -0.119 nan 8.280 nan 0.000 0.509 130 L N 0.027 120.851 121.223 -0.665 0.000 2.083 130 L HA -0.202 4.142 4.340 0.007 0.000 0.209 130 L C 2.341 178.978 176.870 -0.388 0.000 1.083 130 L CA 1.757 56.268 54.840 -0.548 0.000 0.752 130 L CB -0.596 41.306 42.059 -0.260 0.000 0.899 130 L HN 0.271 nan 8.230 nan 0.000 0.433 131 E N 0.219 120.260 120.200 -0.265 0.000 2.110 131 E HA -0.215 4.139 4.350 0.007 0.000 0.193 131 E C 2.324 178.813 176.600 -0.184 0.000 0.988 131 E CA 1.152 57.453 56.400 -0.165 0.000 0.804 131 E CB -0.149 29.502 29.700 -0.082 0.000 0.745 131 E HN 0.502 nan 8.360 nan 0.000 0.458 132 A N 1.070 123.746 122.820 -0.239 0.000 1.902 132 A HA -0.164 4.160 4.320 0.007 0.000 0.217 132 A C 2.174 179.605 177.584 -0.255 0.000 1.181 132 A CA 1.026 52.952 52.037 -0.185 0.000 0.623 132 A CB -0.619 18.307 19.000 -0.124 0.000 0.818 132 A HN 0.135 nan 8.150 nan 0.000 0.443 133 L N -0.950 120.021 121.223 -0.419 0.000 2.017 133 L HA -0.220 4.124 4.340 0.007 0.000 0.208 133 L C 2.913 179.644 176.870 -0.231 0.000 1.073 133 L CA 1.642 56.263 54.840 -0.366 0.000 0.745 133 L CB -0.515 41.243 42.059 -0.500 0.000 0.894 133 L HN 0.382 nan 8.230 nan 0.000 0.432 134 R N -0.112 120.262 120.500 -0.211 0.000 2.096 134 R HA -0.122 4.222 4.340 0.007 0.000 0.235 134 R C 2.352 178.587 176.300 -0.108 0.000 1.127 134 R CA 1.306 57.322 56.100 -0.139 0.000 0.968 134 R CB -0.493 29.735 30.300 -0.119 0.000 0.861 134 R HN 0.349 nan 8.270 nan 0.000 0.440 135 A N 0.976 123.729 122.820 -0.111 0.000 1.969 135 A HA 0.099 4.424 4.320 0.007 0.000 0.218 135 A C 1.352 178.878 177.584 -0.096 0.000 1.169 135 A CA 1.372 53.357 52.037 -0.086 0.000 0.635 135 A CB 0.134 19.090 19.000 -0.074 0.000 0.810 135 A HN 0.313 nan 8.150 nan 0.000 0.445 136 A N 0.296 123.044 122.820 -0.120 0.000 3.317 136 A HA 0.553 4.877 4.320 0.007 0.000 0.307 136 A C -2.796 174.700 177.584 -0.146 0.000 1.003 136 A CA -1.345 50.604 52.037 -0.147 0.000 0.882 136 A CB 0.204 19.116 19.000 -0.147 0.000 1.136 136 A HN 0.224 nan 8.150 nan 0.000 0.488 137 P HA 0.140 nan 4.420 nan 0.000 0.265 137 P C -2.694 174.618 177.300 0.020 0.000 1.187 137 P CA -0.282 62.786 63.100 -0.054 0.000 0.766 137 P CB 0.638 32.329 31.700 -0.014 0.000 0.820 138 P HA 0.122 nan 4.420 nan 0.000 0.282 138 P C 0.407 177.745 177.300 0.064 0.000 1.287 138 P CA -0.322 62.799 63.100 0.036 0.000 0.792 138 P CB 0.637 32.312 31.700 -0.042 0.000 1.163 139 A N 0.026 122.841 122.820 -0.009 0.000 2.066 139 A HA 0.095 4.420 4.320 0.007 0.000 0.218 139 A C 1.204 178.781 177.584 -0.012 0.000 1.157 139 A CA 1.349 53.385 52.037 -0.001 0.000 0.670 139 A CB -1.057 17.858 19.000 -0.142 0.000 0.804 139 A HN 0.485 nan 8.150 nan 0.000 0.453 140 V N -3.092 116.791 119.914 -0.052 0.000 2.994 140 V HA 0.493 4.618 4.120 0.007 0.000 0.318 140 V C -0.576 175.476 176.094 -0.071 0.000 1.085 140 V CA -1.661 60.599 62.300 -0.067 0.000 0.998 140 V CB 1.167 32.931 31.823 -0.099 0.000 1.063 140 V HN 0.235 nan 8.190 nan 0.000 0.447 141 N N 1.201 119.851 118.700 -0.084 0.000 2.444 141 N HA 0.602 5.347 4.740 0.007 0.000 0.255 141 N C -0.275 175.175 175.510 -0.100 0.000 1.255 141 N CA 0.350 53.341 53.050 -0.098 0.000 0.933 141 N CB 1.556 39.975 38.487 -0.114 0.000 1.143 141 N HN 1.195 nan 8.380 nan 0.000 0.453 142 A N 0.148 122.908 122.820 -0.100 0.000 2.359 142 A HA 0.695 5.019 4.320 0.007 0.000 0.303 142 A C -0.862 176.677 177.584 -0.076 0.000 1.066 142 A CA -0.754 51.228 52.037 -0.090 0.000 0.730 142 A CB 1.000 19.948 19.000 -0.087 0.000 1.211 142 A HN 0.628 nan 8.150 nan 0.000 0.439 143 A N 1.820 124.590 122.820 -0.082 0.000 2.277 143 A HA 0.571 4.896 4.320 0.007 0.000 0.318 143 A C -0.279 177.288 177.584 -0.029 0.000 1.339 143 A CA -0.338 51.664 52.037 -0.059 0.000 0.875 143 A CB -0.290 18.644 19.000 -0.110 0.000 1.158 143 A HN 0.963 nan 8.150 nan 0.000 0.514 144 C N 3.188 122.526 119.300 0.064 0.000 2.350 144 C HA 0.711 5.175 4.460 0.007 0.000 0.348 144 C C 0.522 175.632 174.990 0.199 0.000 1.260 144 C CA -0.528 58.589 59.018 0.165 0.000 1.966 144 C CB -0.082 27.843 27.740 0.309 0.000 2.380 144 C HN 0.844 nan 8.230 nan 0.000 0.535 145 M N 1.986 121.676 119.600 0.150 0.000 2.644 145 M HA 0.566 5.050 4.480 0.007 0.000 0.316 145 M C -0.417 175.922 176.300 0.065 0.000 1.200 145 M CA -0.607 54.731 55.300 0.064 0.000 0.944 145 M CB 1.884 34.503 32.600 0.032 0.000 1.691 145 M HN 0.517 nan 8.290 nan 0.000 0.471 146 V N 0.868 120.708 119.914 -0.122 0.000 2.532 146 V HA 0.822 4.946 4.120 0.007 0.000 0.295 146 V C -0.194 175.903 176.094 0.004 0.000 1.041 146 V CA -0.230 61.995 62.300 -0.126 0.000 0.926 146 V CB 1.708 33.274 31.823 -0.428 0.000 0.992 146 V HN 0.914 nan 8.190 nan 0.000 0.457 147 G N 3.170 112.012 108.800 0.070 0.000 2.356 147 G HA2 0.265 4.229 3.960 0.007 0.000 0.322 147 G HA3 0.265 4.229 3.960 0.007 0.000 0.322 147 G C 0.549 175.526 174.900 0.129 0.000 1.125 147 G CA -0.043 45.121 45.100 0.105 0.000 0.885 147 G HN 1.028 nan 8.290 nan 0.000 0.467 148 H N 1.774 120.884 119.070 0.067 0.000 2.352 148 H HA -0.124 4.436 4.556 0.007 0.000 0.299 148 H C 2.040 177.414 175.328 0.077 0.000 1.097 148 H CA 1.875 57.969 56.048 0.076 0.000 1.311 148 H CB 0.292 30.113 29.762 0.097 0.000 1.377 148 H HN 0.464 nan 8.280 nan 0.000 0.504 149 S N -0.293 115.365 115.700 -0.070 0.000 2.402 149 S HA -0.102 4.373 4.470 0.007 0.000 0.229 149 S C 2.119 176.669 174.600 -0.084 0.000 1.021 149 S CA 1.396 59.518 58.200 -0.130 0.000 0.974 149 S CB -0.202 62.997 63.200 -0.002 0.000 0.800 149 S HN 0.508 nan 8.310 nan 0.000 0.484 150 T N 2.876 117.429 114.554 -0.002 0.000 2.821 150 T HA 0.067 4.422 4.350 0.007 0.000 0.267 150 T C 1.708 176.422 174.700 0.024 0.000 1.046 150 T CA 0.849 62.974 62.100 0.040 0.000 1.139 150 T CB -0.347 68.594 68.868 0.121 0.000 0.871 150 T HN 0.269 nan 8.240 nan 0.000 0.454 151 L N 0.311 121.537 121.223 0.005 0.000 2.056 151 L HA -0.058 4.286 4.340 0.007 0.000 0.207 151 L C 2.905 179.756 176.870 -0.031 0.000 1.078 151 L CA 1.324 56.170 54.840 0.010 0.000 0.749 151 L CB -0.486 41.596 42.059 0.038 0.000 0.901 151 L HN 0.156 nan 8.230 nan 0.000 0.433 152 R N 0.042 120.468 120.500 -0.124 0.000 2.081 152 R HA -0.136 4.209 4.340 0.007 0.000 0.235 152 R C 2.421 178.691 176.300 -0.050 0.000 1.131 152 R CA 1.393 57.424 56.100 -0.114 0.000 0.960 152 R CB -0.479 29.698 30.300 -0.204 0.000 0.856 152 R HN 0.345 nan 8.270 nan 0.000 0.436 153 A N 0.935 123.727 122.820 -0.046 0.000 1.972 153 A HA -0.065 4.259 4.320 0.007 0.000 0.219 153 A C 2.223 179.827 177.584 0.034 0.000 1.169 153 A CA 1.616 53.644 52.037 -0.015 0.000 0.635 153 A CB -0.368 18.598 19.000 -0.057 0.000 0.810 153 A HN 0.404 nan 8.150 nan 0.000 0.446 154 A N -1.199 121.642 122.820 0.035 0.000 2.072 154 A HA 0.289 4.613 4.320 0.007 0.000 0.216 154 A C 1.914 179.520 177.584 0.035 0.000 1.156 154 A CA 1.467 53.535 52.037 0.053 0.000 0.701 154 A CB -0.141 18.901 19.000 0.070 0.000 0.816 154 A HN 0.342 nan 8.150 nan 0.000 0.458 155 V N -0.689 119.239 119.914 0.023 0.000 2.911 155 V HA 0.152 4.276 4.120 0.007 0.000 0.237 155 V C 0.928 177.028 176.094 0.011 0.000 1.156 155 V CA 0.472 62.784 62.300 0.019 0.000 1.180 155 V CB -0.321 31.517 31.823 0.023 0.000 0.932 155 V HN 0.452 nan 8.190 nan 0.000 0.483 156 M N 2.751 122.355 119.600 0.005 0.000 2.162 156 M HA 0.237 4.722 4.480 0.007 0.000 0.356 156 M C -1.358 174.941 176.300 -0.002 0.000 1.303 156 M CA -1.238 54.062 55.300 0.000 0.000 1.116 156 M CB 1.046 33.644 32.600 -0.005 0.000 1.632 156 M HN 0.027 nan 8.290 nan 0.000 0.469 157 P HA -0.001 nan 4.420 nan 0.000 0.227 157 P C -0.439 176.854 177.300 -0.012 0.000 1.161 157 P CA 1.133 64.228 63.100 -0.008 0.000 0.788 157 P CB 0.222 31.915 31.700 -0.011 0.000 0.822 158 D N -0.450 119.939 120.400 -0.019 0.000 2.620 158 D HA 0.220 4.864 4.640 0.007 0.000 0.252 158 D C 0.714 176.990 176.300 -0.039 0.000 1.207 158 D CA -0.511 53.469 54.000 -0.032 0.000 0.884 158 D CB 1.041 41.816 40.800 -0.041 0.000 1.262 158 D HN -0.216 nan 8.370 nan 0.000 0.552 159 L N 2.667 123.867 121.223 -0.039 0.000 2.446 159 L HA 0.245 4.589 4.340 0.007 0.000 0.219 159 L C 1.541 178.378 176.870 -0.055 0.000 1.116 159 L CA 0.198 55.020 54.840 -0.030 0.000 0.844 159 L CB 0.035 42.086 42.059 -0.014 0.000 0.970 159 L HN 0.198 nan 8.230 nan 0.000 0.457 160 R N 1.877 122.286 120.500 -0.153 0.000 4.464 160 R HA 0.152 4.496 4.340 0.007 0.000 0.229 160 R C -0.302 175.546 176.300 -0.753 0.000 1.916 160 R CA -0.022 55.802 56.100 -0.460 0.000 1.601 160 R CB -0.298 29.802 30.300 -0.334 0.000 1.315 160 R HN 0.387 nan 8.270 nan 0.000 0.725 161 R N -1.726 118.556 120.500 -0.363 0.000 2.741 161 R HA 0.203 4.548 4.340 0.007 0.000 0.276 161 R C -1.328 174.979 176.300 0.013 0.000 1.028 161 R CA -1.027 54.968 56.100 -0.176 0.000 0.865 161 R CB 0.818 31.044 30.300 -0.122 0.000 1.268 161 R HN 0.034 nan 8.270 nan 0.000 0.475 162 E N 0.952 121.184 120.200 0.053 0.000 2.390 162 E HA 0.401 4.755 4.350 0.007 0.000 0.261 162 E C -0.537 176.092 176.600 0.050 0.000 1.076 162 E CA -0.252 56.193 56.400 0.075 0.000 0.905 162 E CB 1.070 30.811 29.700 0.068 0.000 0.984 162 E HN 0.599 nan 8.360 nan 0.000 0.427 163 A N 2.593 125.451 122.820 0.064 0.000 2.351 163 A HA 0.293 4.617 4.320 0.007 0.000 0.257 163 A C 0.303 177.912 177.584 0.041 0.000 1.087 163 A CA -0.062 52.006 52.037 0.051 0.000 0.798 163 A CB 0.478 19.521 19.000 0.072 0.000 1.033 163 A HN 0.751 nan 8.150 nan 0.000 0.488 164 T N -1.162 113.410 114.554 0.030 0.000 2.816 164 T HA 0.498 4.853 4.350 0.007 0.000 0.282 164 T C 1.375 176.092 174.700 0.028 0.000 0.993 164 T CA -0.008 62.107 62.100 0.024 0.000 0.994 164 T CB 0.984 69.862 68.868 0.017 0.000 1.025 164 T HN 1.223 nan 8.240 nan 0.000 0.529 165 A N 0.729 123.563 122.820 0.024 0.000 1.908 165 A HA -0.101 4.224 4.320 0.007 0.000 0.218 165 A C 2.027 179.626 177.584 0.025 0.000 1.181 165 A CA 1.826 53.877 52.037 0.024 0.000 0.627 165 A CB -1.137 17.875 19.000 0.019 0.000 0.818 165 A HN 0.895 nan 8.150 nan 0.000 0.445 166 D N -0.304 120.109 120.400 0.022 0.000 2.144 166 D HA -0.117 4.528 4.640 0.007 0.000 0.199 166 D C 1.972 178.287 176.300 0.026 0.000 0.984 166 D CA 1.462 55.475 54.000 0.022 0.000 0.834 166 D CB -0.326 40.484 40.800 0.017 0.000 0.955 166 D HN 0.687 nan 8.370 nan 0.000 0.465 167 E N 0.065 120.282 120.200 0.028 0.000 2.107 167 E HA -0.044 4.311 4.350 0.007 0.000 0.191 167 E C 2.329 178.955 176.600 0.045 0.000 0.982 167 E CA 0.290 56.710 56.400 0.033 0.000 0.809 167 E CB 0.084 29.802 29.700 0.030 0.000 0.756 167 E HN 0.297 nan 8.360 nan 0.000 0.459 168 I N 1.285 121.885 120.570 0.049 0.000 2.286 168 I HA -0.299 3.875 4.170 0.007 0.000 0.248 168 I C 2.424 178.572 176.117 0.052 0.000 1.115 168 I CA 1.256 62.592 61.300 0.060 0.000 1.392 168 I CB -0.177 37.855 38.000 0.054 0.000 1.065 168 I HN 0.122 nan 8.210 nan 0.000 0.418 169 Q N 0.411 120.236 119.800 0.041 0.000 2.124 169 Q HA -0.172 4.172 4.340 0.007 0.000 0.202 169 Q C 2.447 178.470 176.000 0.039 0.000 0.977 169 Q CA 1.754 57.579 55.803 0.037 0.000 0.850 169 Q CB -0.228 28.528 28.738 0.030 0.000 0.901 169 Q HN 0.576 nan 8.270 nan 0.000 0.429 170 A N 0.598 123.442 122.820 0.039 0.000 1.873 170 A HA -0.184 4.140 4.320 0.007 0.000 0.215 170 A C 2.041 179.652 177.584 0.046 0.000 1.186 170 A CA 1.370 53.430 52.037 0.039 0.000 0.616 170 A CB -0.459 18.562 19.000 0.034 0.000 0.823 170 A HN 0.291 nan 8.150 nan 0.000 0.442 171 M N -1.089 118.543 119.600 0.054 0.000 2.132 171 M HA -0.173 4.311 4.480 0.007 0.000 0.263 171 M C 2.487 178.825 176.300 0.064 0.000 1.065 171 M CA 1.637 56.977 55.300 0.065 0.000 1.122 171 M CB -0.399 32.257 32.600 0.092 0.000 1.365 171 M HN 0.526 nan 8.290 nan 0.000 0.411 172 Q N 0.773 120.610 119.800 0.061 0.000 2.124 172 Q HA -0.163 4.181 4.340 0.007 0.000 0.202 172 Q C 1.952 177.979 176.000 0.045 0.000 0.977 172 Q CA 2.004 57.840 55.803 0.054 0.000 0.850 172 Q CB -0.108 28.660 28.738 0.050 0.000 0.901 172 Q HN 0.537 nan 8.270 nan 0.000 0.429 173 A N 0.738 123.583 122.820 0.043 0.000 1.898 173 A HA -0.107 4.217 4.320 0.007 0.000 0.216 173 A C 2.254 179.858 177.584 0.033 0.000 1.181 173 A CA 1.026 53.087 52.037 0.040 0.000 0.620 173 A CB -0.619 18.405 19.000 0.040 0.000 0.819 173 A HN 0.405 nan 8.150 nan 0.000 0.442 174 L N -0.810 120.433 121.223 0.034 0.000 2.056 174 L HA -0.179 4.165 4.340 0.007 0.000 0.207 174 L C 3.108 179.971 176.870 -0.012 0.000 1.078 174 L CA 1.036 55.894 54.840 0.030 0.000 0.749 174 L CB -0.580 41.507 42.059 0.046 0.000 0.901 174 L HN 0.440 nan 8.230 nan 0.000 0.433 175 A N 0.031 122.843 122.820 -0.013 0.000 1.902 175 A HA -0.299 4.025 4.320 0.007 0.000 0.217 175 A C 1.954 179.483 177.584 -0.092 0.000 1.181 175 A CA 2.198 54.200 52.037 -0.058 0.000 0.623 175 A CB -0.684 18.315 19.000 -0.001 0.000 0.818 175 A HN 0.456 nan 8.150 nan 0.000 0.443 176 D N -0.316 120.065 120.400 -0.032 0.000 2.097 176 D HA -0.157 4.487 4.640 0.007 0.000 0.195 176 D C 1.303 177.537 176.300 -0.110 0.000 0.989 176 D CA 1.527 55.509 54.000 -0.030 0.000 0.827 176 D CB -0.110 40.734 40.800 0.073 0.000 0.966 176 D HN 0.369 nan 8.370 nan 0.000 0.456 177 D N -0.112 120.259 120.400 -0.049 0.000 2.144 177 D HA -0.141 4.504 4.640 0.007 0.000 0.199 177 D C 1.995 178.253 176.300 -0.069 0.000 0.984 177 D CA 1.292 55.274 54.000 -0.029 0.000 0.834 177 D CB -0.446 40.370 40.800 0.026 0.000 0.955 177 D HN 0.335 nan 8.370 nan 0.000 0.465 178 A N 0.750 123.482 122.820 -0.146 0.000 1.877 178 A HA -0.110 4.214 4.320 0.007 0.000 0.216 178 A C 2.425 179.822 177.584 -0.312 0.000 1.186 178 A CA 0.873 52.724 52.037 -0.310 0.000 0.620 178 A CB -0.772 17.770 19.000 -0.763 0.000 0.822 178 A HN 0.188 nan 8.150 nan 0.000 0.443 179 L N -0.787 120.221 121.223 -0.358 0.000 2.046 179 L HA -0.175 4.169 4.340 0.007 0.000 0.208 179 L C 3.064 179.678 176.870 -0.428 0.000 1.077 179 L CA 1.023 55.624 54.840 -0.399 0.000 0.747 179 L CB -0.511 41.240 42.059 -0.514 0.000 0.896 179 L HN 0.433 nan 8.230 nan 0.000 0.432 180 A N -0.870 121.657 122.820 -0.489 0.000 1.972 180 A HA -0.160 4.164 4.320 0.007 0.000 0.219 180 A C 2.429 179.986 177.584 -0.045 0.000 1.169 180 A CA 1.924 53.834 52.037 -0.210 0.000 0.635 180 A CB -0.446 18.519 19.000 -0.058 0.000 0.810 180 A HN 0.374 nan 8.150 nan 0.000 0.446 181 S N -2.028 113.660 115.700 -0.020 0.000 2.489 181 S HA 0.313 4.787 4.470 0.007 0.000 0.228 181 S C 1.391 176.042 174.600 0.084 0.000 0.995 181 S CA 1.009 59.248 58.200 0.065 0.000 0.934 181 S CB 0.240 63.529 63.200 0.148 0.000 0.771 181 S HN 1.383 nan 8.310 nan 0.000 0.522 182 G N 0.371 109.207 108.800 0.060 0.000 2.613 182 G HA2 0.046 4.010 3.960 0.007 0.000 0.199 182 G HA3 0.046 4.010 3.960 0.007 0.000 0.199 182 G C 0.127 175.086 174.900 0.099 0.000 0.991 182 G CA -0.300 44.847 45.100 0.078 0.000 0.756 182 G HN 0.664 nan 8.290 nan 0.000 0.515 183 A N 0.899 123.766 122.820 0.078 0.000 2.531 183 A HA 0.548 4.873 4.320 0.007 0.000 0.236 183 A C 1.520 179.107 177.584 0.005 0.000 1.062 183 A CA 0.651 52.703 52.037 0.024 0.000 0.760 183 A CB -0.116 18.673 19.000 -0.351 0.000 0.995 183 A HN 1.379 nan 8.150 nan 0.000 0.501 184 I N -0.300 120.298 120.570 0.047 0.000 3.793 184 I HA 0.535 4.709 4.170 0.007 0.000 0.315 184 I C 0.671 176.835 176.117 0.078 0.000 1.275 184 I CA 0.421 61.763 61.300 0.070 0.000 1.214 184 I CB -0.285 37.778 38.000 0.104 0.000 1.018 184 I HN 0.720 nan 8.210 nan 0.000 0.439 185 G N 1.156 109.977 108.800 0.035 0.000 2.317 185 G HA2 0.471 4.435 3.960 0.007 0.000 0.293 185 G HA3 0.471 4.435 3.960 0.007 0.000 0.293 185 G C -1.718 173.184 174.900 0.004 0.000 1.287 185 G CA -0.805 44.323 45.100 0.047 0.000 0.850 185 G HN 0.101 nan 8.290 nan 0.000 0.515 186 I N 0.993 121.583 120.570 0.034 0.000 2.608 186 I HA 0.594 4.769 4.170 0.007 0.000 0.295 186 I C 0.207 176.312 176.117 -0.020 0.000 1.049 186 I CA -0.897 60.416 61.300 0.023 0.000 1.063 186 I CB 2.425 40.469 38.000 0.074 0.000 1.248 186 I HN 0.719 nan 8.210 nan 0.000 0.424 187 S N 2.769 118.459 115.700 -0.017 0.000 2.600 187 S HA 0.889 5.363 4.470 0.007 0.000 0.300 187 S C -0.454 174.153 174.600 0.012 0.000 1.087 187 S CA -0.515 57.637 58.200 -0.081 0.000 0.965 187 S CB 2.143 65.340 63.200 -0.005 0.000 1.089 187 S HN 0.726 nan 8.310 nan 0.000 0.496 188 T N -2.576 111.963 114.554 -0.026 0.000 2.901 188 T HA 0.815 5.169 4.350 0.007 0.000 0.293 188 T C -0.039 174.780 174.700 0.199 0.000 1.084 188 T CA -0.602 61.581 62.100 0.139 0.000 1.008 188 T CB 1.475 70.418 68.868 0.124 0.000 1.170 188 T HN 1.456 nan 8.240 nan 0.000 0.509 189 G N -0.313 108.648 108.800 0.268 0.000 4.079 189 G HA2 0.557 4.522 3.960 0.007 0.000 0.271 189 G HA3 0.557 4.522 3.960 0.007 0.000 0.271 189 G C 0.718 175.753 174.900 0.224 0.000 1.144 189 G CA 0.003 45.268 45.100 0.276 0.000 0.700 189 G HN 1.083 nan 8.290 nan 0.000 0.500 190 A N 0.423 123.355 122.820 0.186 0.000 2.178 190 A HA 0.045 4.370 4.320 0.007 0.000 0.218 190 A C 1.709 179.330 177.584 0.061 0.000 1.157 190 A CA 1.223 53.342 52.037 0.138 0.000 0.689 190 A CB -0.363 18.709 19.000 0.121 0.000 0.787 190 A HN 0.900 nan 8.150 nan 0.000 0.465 191 F N -0.468 119.377 119.950 -0.176 0.000 2.234 191 F HA 0.027 4.559 4.527 0.009 0.000 0.299 191 F C 0.399 175.982 175.800 -0.363 0.000 1.087 191 F CA 0.236 58.036 58.000 -0.334 0.000 1.340 191 F CB -0.221 38.419 39.000 -0.601 0.000 1.031 191 F HN 0.235 nan 8.300 nan 0.000 0.500 192 Y N 0.764 120.961 120.300 -0.171 0.000 2.307 192 Y HA 0.270 4.825 4.550 0.007 0.000 0.324 192 Y C -0.995 174.810 175.900 -0.159 0.000 1.238 192 Y CA -2.722 55.244 58.100 -0.224 0.000 1.280 192 Y CB -0.592 37.825 38.460 -0.071 0.000 1.248 192 Y HN -0.199 nan 8.280 nan 0.000 0.508 193 P HA -0.191 nan 4.420 nan 0.000 0.217 193 P C -1.283 176.048 177.300 0.052 0.000 1.162 193 P CA 2.267 65.376 63.100 0.014 0.000 0.901 193 P CB -0.820 30.882 31.700 0.003 0.000 0.793 194 P HA -0.105 nan 4.420 nan 0.000 0.219 194 P C 0.745 178.072 177.300 0.045 0.000 1.146 194 P CA 1.973 65.087 63.100 0.023 0.000 0.808 194 P CB -0.404 31.286 31.700 -0.017 0.000 0.779 195 A N -1.885 120.987 122.820 0.086 0.000 2.585 195 A HA 0.583 4.907 4.320 0.007 0.000 0.266 195 A C 1.779 179.433 177.584 0.117 0.000 1.178 195 A CA 0.446 52.560 52.037 0.128 0.000 0.966 195 A CB -0.459 18.661 19.000 0.201 0.000 1.170 195 A HN 0.072 nan 8.150 nan 0.000 0.558 196 A N -0.434 122.412 122.820 0.044 0.000 2.019 196 A HA -0.160 4.164 4.320 0.007 0.000 0.219 196 A C 1.657 179.151 177.584 -0.150 0.000 1.164 196 A CA 1.465 53.452 52.037 -0.083 0.000 0.644 196 A CB -0.762 18.126 19.000 -0.188 0.000 0.805 196 A HN 0.633 nan 8.150 nan 0.000 0.449 197 H N -0.767 118.321 119.070 0.029 0.000 2.539 197 H HA 0.373 4.934 4.556 0.008 0.000 0.269 197 H C 0.854 176.213 175.328 0.051 0.000 0.980 197 H CA 0.415 56.480 56.048 0.029 0.000 1.152 197 H CB -0.137 29.635 29.762 0.018 0.000 1.407 197 H HN 0.496 nan 8.280 nan 0.000 0.564 198 A N 2.004 124.925 122.820 0.168 0.000 2.409 198 A HA 0.282 4.607 4.320 0.007 0.000 0.262 198 A C 0.850 178.494 177.584 0.101 0.000 1.113 198 A CA -0.278 51.863 52.037 0.172 0.000 0.790 198 A CB 0.218 19.398 19.000 0.299 0.000 1.046 198 A HN 0.358 nan 8.150 nan 0.000 0.496 199 S N 2.051 117.798 115.700 0.078 0.000 2.645 199 S HA 0.264 4.738 4.470 0.007 0.000 0.266 199 S C 1.077 175.689 174.600 0.019 0.000 1.258 199 S CA 0.272 58.496 58.200 0.041 0.000 0.990 199 S CB 0.642 63.863 63.200 0.036 0.000 0.967 199 S HN 0.631 nan 8.310 nan 0.000 0.556 200 T N 1.142 115.697 114.554 0.003 0.000 2.821 200 T HA -0.052 4.302 4.350 0.007 0.000 0.267 200 T C 1.552 176.234 174.700 -0.030 0.000 1.046 200 T CA 1.295 63.385 62.100 -0.018 0.000 1.139 200 T CB -0.353 68.503 68.868 -0.020 0.000 0.871 200 T HN 0.604 nan 8.240 nan 0.000 0.454 201 E N 1.028 121.220 120.200 -0.014 0.000 2.150 201 E HA -0.091 4.264 4.350 0.007 0.000 0.193 201 E C 2.169 178.764 176.600 -0.009 0.000 0.985 201 E CA 0.655 57.047 56.400 -0.014 0.000 0.814 201 E CB -0.222 29.477 29.700 -0.003 0.000 0.752 201 E HN 0.655 nan 8.360 nan 0.000 0.466 202 E N 0.703 120.907 120.200 0.007 0.000 2.051 202 E HA -0.166 4.188 4.350 0.007 0.000 0.192 202 E C 2.207 178.797 176.600 -0.016 0.000 0.991 202 E CA 0.843 57.259 56.400 0.027 0.000 0.799 202 E CB -0.085 29.661 29.700 0.077 0.000 0.748 202 E HN 0.192 nan 8.360 nan 0.000 0.449 203 I N 0.898 121.417 120.570 -0.084 0.000 2.179 203 I HA -0.299 3.875 4.170 0.007 0.000 0.242 203 I C 2.467 178.524 176.117 -0.099 0.000 1.088 203 I CA 1.004 62.201 61.300 -0.173 0.000 1.357 203 I CB -0.232 37.677 38.000 -0.152 0.000 1.051 203 I HN 0.223 nan 8.210 nan 0.000 0.409 204 I N 0.349 120.866 120.570 -0.087 0.000 2.163 204 I HA -0.271 3.904 4.170 0.007 0.000 0.243 204 I C 2.577 178.670 176.117 -0.039 0.000 1.085 204 I CA 1.294 62.543 61.300 -0.084 0.000 1.347 204 I CB -0.422 37.533 38.000 -0.075 0.000 1.044 204 I HN 0.230 nan 8.210 nan 0.000 0.408 205 E N 0.454 120.643 120.200 -0.017 0.000 2.077 205 E HA -0.140 4.215 4.350 0.007 0.000 0.193 205 E C 2.409 179.022 176.600 0.023 0.000 0.989 205 E CA 1.038 57.441 56.400 0.006 0.000 0.800 205 E CB -0.440 29.269 29.700 0.015 0.000 0.746 205 E HN 0.322 nan 8.360 nan 0.000 0.452 206 V N 0.501 120.434 119.914 0.031 0.000 2.515 206 V HA -0.218 3.906 4.120 0.007 0.000 0.250 206 V C 2.107 178.236 176.094 0.058 0.000 1.058 206 V CA 1.341 63.678 62.300 0.062 0.000 1.064 206 V CB -0.336 31.554 31.823 0.111 0.000 0.675 206 V HN 0.277 nan 8.190 nan 0.000 0.461 207 C N -0.476 118.848 119.300 0.040 0.000 2.697 207 C HA 0.152 4.616 4.460 0.007 0.000 0.267 207 C C 2.484 177.499 174.990 0.042 0.000 1.278 207 C CA -0.448 58.604 59.018 0.057 0.000 1.708 207 C CB -1.411 26.375 27.740 0.077 0.000 1.860 207 C HN 0.467 nan 8.230 nan 0.000 0.589 208 R N 1.874 122.392 120.500 0.029 0.000 2.159 208 R HA -0.124 4.220 4.340 0.007 0.000 0.237 208 R C -0.701 175.629 176.300 0.049 0.000 1.131 208 R CA 1.393 57.508 56.100 0.026 0.000 0.982 208 R CB -1.324 28.987 30.300 0.019 0.000 0.868 208 R HN 0.412 nan 8.270 nan 0.000 0.453 209 P HA -0.111 nan 4.420 nan 0.000 0.225 209 P C 1.024 178.429 177.300 0.175 0.000 1.148 209 P CA 0.953 64.142 63.100 0.148 0.000 0.779 209 P CB -0.029 31.773 31.700 0.170 0.000 0.780 210 L N -1.211 120.080 121.223 0.113 0.000 2.079 210 L HA -0.180 4.164 4.340 0.007 0.000 0.210 210 L C 2.273 179.192 176.870 0.082 0.000 1.081 210 L CA 1.376 56.280 54.840 0.107 0.000 0.752 210 L CB -0.628 41.486 42.059 0.092 0.000 0.896 210 L HN 0.001 nan 8.230 nan 0.000 0.433 211 I N -0.902 119.696 120.570 0.046 0.000 2.546 211 I HA -0.219 3.955 4.170 0.007 0.000 0.255 211 I C 2.178 178.290 176.117 -0.009 0.000 1.163 211 I CA 1.080 62.391 61.300 0.018 0.000 1.457 211 I CB 0.113 38.115 38.000 0.004 0.000 1.092 211 I HN 0.186 nan 8.210 nan 0.000 0.434 212 T N -0.684 113.847 114.554 -0.037 0.000 2.896 212 T HA -0.067 4.287 4.350 0.007 0.000 0.263 212 T C 1.639 176.191 174.700 -0.247 0.000 1.050 212 T CA 1.084 63.088 62.100 -0.159 0.000 1.140 212 T CB -0.229 68.493 68.868 -0.244 0.000 0.877 212 T HN 0.412 nan 8.240 nan 0.000 0.457 213 H N 0.031 119.109 119.070 0.014 0.000 2.595 213 H HA 0.313 4.873 4.556 0.007 0.000 0.265 213 H C 1.743 177.083 175.328 0.020 0.000 0.953 213 H CA 0.638 56.695 56.048 0.016 0.000 1.197 213 H CB 0.278 30.047 29.762 0.013 0.000 1.438 213 H HN 0.495 nan 8.280 nan 0.000 0.531 214 G N 1.175 110.041 108.800 0.111 0.000 2.248 214 G HA2 -0.193 3.771 3.960 0.007 0.000 0.263 214 G HA3 -0.193 3.771 3.960 0.007 0.000 0.263 214 G C 0.602 175.552 174.900 0.085 0.000 1.082 214 G CA 0.269 45.415 45.100 0.078 0.000 0.863 214 G HN 0.701 nan 8.290 nan 0.000 0.495 215 G N -1.682 107.175 108.800 0.095 0.000 2.642 215 G HA2 0.937 4.901 3.960 0.007 0.000 0.291 215 G HA3 0.937 4.901 3.960 0.007 0.000 0.291 215 G C 0.345 175.297 174.900 0.086 0.000 1.345 215 G CA 0.138 45.291 45.100 0.088 0.000 1.043 215 G HN 1.597 nan 8.290 nan 0.000 0.528 216 V N -2.827 117.144 119.914 0.095 0.000 2.994 216 V HA 0.734 4.858 4.120 0.007 0.000 0.318 216 V C -1.061 175.119 176.094 0.143 0.000 1.085 216 V CA -1.336 61.020 62.300 0.093 0.000 0.998 216 V CB 1.674 33.516 31.823 0.033 0.000 1.063 216 V HN 0.694 nan 8.190 nan 0.000 0.447 217 Y N 2.100 122.415 120.300 0.025 0.000 2.334 217 Y HA 0.807 5.361 4.550 0.007 0.000 0.336 217 Y C 0.026 175.953 175.900 0.045 0.000 0.960 217 Y CA -0.338 57.782 58.100 0.035 0.000 1.164 217 Y CB 0.805 39.279 38.460 0.022 0.000 1.155 217 Y HN 1.140 nan 8.280 nan 0.000 0.478 218 A N 4.333 126.900 122.820 -0.423 0.000 2.340 218 A HA 0.792 5.116 4.320 0.007 0.000 0.331 218 A C -0.697 176.597 177.584 -0.484 0.000 1.140 218 A CA -0.470 51.396 52.037 -0.286 0.000 0.801 218 A CB 1.514 20.494 19.000 -0.033 0.000 1.234 218 A HN 0.715 nan 8.150 nan 0.000 0.469 219 T N -0.264 114.142 114.554 -0.248 0.000 2.982 219 T HA 0.414 4.769 4.350 0.007 0.000 0.321 219 T C -1.432 173.271 174.700 0.006 0.000 1.229 219 T CA -0.405 61.610 62.100 -0.142 0.000 1.044 219 T CB 0.861 69.653 68.868 -0.126 0.000 1.184 219 T HN 0.837 nan 8.240 nan 0.000 0.477 220 H N 5.704 124.782 119.070 0.013 0.000 2.741 220 H HA 0.545 5.106 4.556 0.008 0.000 0.282 220 H C 0.788 176.151 175.328 0.059 0.000 1.122 220 H CA -0.945 55.133 56.048 0.050 0.000 1.293 220 H CB 0.311 30.228 29.762 0.259 0.000 1.415 220 H HN 0.560 nan 8.280 nan 0.000 0.472 221 M N 3.479 123.191 119.600 0.188 0.000 2.235 221 M HA -0.112 4.372 4.480 0.007 0.000 0.316 221 M C 1.964 178.392 176.300 0.213 0.000 1.035 221 M CA 0.624 56.011 55.300 0.145 0.000 1.084 221 M CB 0.631 33.257 32.600 0.043 0.000 1.529 221 M HN 0.730 nan 8.290 nan 0.000 0.440 222 R N 0.697 121.288 120.500 0.152 0.000 2.139 222 R HA -0.136 4.208 4.340 0.007 0.000 0.243 222 R C 0.141 176.576 176.300 0.226 0.000 1.145 222 R CA 1.439 57.638 56.100 0.165 0.000 0.976 222 R CB 0.214 30.568 30.300 0.091 0.000 0.866 222 R HN 0.730 nan 8.270 nan 0.000 0.449 223 D N -1.415 119.079 120.400 0.157 0.000 2.837 223 D HA 0.054 4.698 4.640 0.007 0.000 0.220 223 D C -1.128 175.196 176.300 0.041 0.000 1.236 223 D CA -0.295 53.792 54.000 0.146 0.000 0.838 223 D CB 1.628 42.537 40.800 0.181 0.000 1.647 223 D HN 0.066 nan 8.370 nan 0.000 0.486 224 E N 1.310 121.488 120.200 -0.036 0.000 2.734 224 E HA 0.304 4.659 4.350 0.007 0.000 0.211 224 E C 0.432 176.992 176.600 -0.066 0.000 0.991 224 E CA -0.429 55.926 56.400 -0.076 0.000 1.065 224 E CB 1.648 31.247 29.700 -0.168 0.000 1.047 224 E HN 0.493 nan 8.360 nan 0.000 0.470 225 G N 1.035 109.817 108.800 -0.031 0.000 3.244 225 G HA2 -0.039 3.925 3.960 0.007 0.000 0.197 225 G HA3 -0.039 3.925 3.960 0.007 0.000 0.197 225 G C 0.726 175.582 174.900 -0.075 0.000 1.531 225 G CA -0.153 44.918 45.100 -0.048 0.000 0.747 225 G HN 0.139 nan 8.290 nan 0.000 0.763 226 E N -0.095 120.018 120.200 -0.144 0.000 2.171 226 E HA -0.200 4.155 4.350 0.007 0.000 0.197 226 E C 0.794 177.180 176.600 -0.358 0.000 0.997 226 E CA 1.166 57.391 56.400 -0.291 0.000 0.810 226 E CB -0.104 29.328 29.700 -0.447 0.000 0.738 226 E HN 0.479 nan 8.360 nan 0.000 0.467 227 H N -0.223 118.849 119.070 0.003 0.000 2.488 227 H HA 0.133 4.694 4.556 0.008 0.000 0.294 227 H C 1.394 176.724 175.328 0.003 0.000 1.088 227 H CA -0.109 55.943 56.048 0.005 0.000 1.086 227 H CB 0.160 29.928 29.762 0.010 0.000 1.569 227 H HN 0.296 nan 8.280 nan 0.000 0.548 228 I N 0.159 120.767 120.570 0.063 0.000 2.394 228 I HA -0.223 3.952 4.170 0.007 0.000 0.251 228 I C 1.683 177.819 176.117 0.031 0.000 1.136 228 I CA 0.616 61.940 61.300 0.041 0.000 1.425 228 I CB 0.181 38.192 38.000 0.019 0.000 1.079 228 I HN 0.006 nan 8.210 nan 0.000 0.425 229 V N 0.840 120.779 119.914 0.041 0.000 2.343 229 V HA -0.300 3.824 4.120 0.007 0.000 0.247 229 V C 2.415 178.525 176.094 0.027 0.000 1.051 229 V CA 1.808 64.131 62.300 0.038 0.000 1.036 229 V CB -0.693 31.159 31.823 0.049 0.000 0.654 229 V HN 0.452 nan 8.190 nan 0.000 0.451 230 Q N 0.317 120.147 119.800 0.049 0.000 2.084 230 Q HA -0.072 4.272 4.340 0.007 0.000 0.202 230 Q C 2.304 178.300 176.000 -0.006 0.000 0.978 230 Q CA 1.926 57.748 55.803 0.032 0.000 0.844 230 Q CB -0.857 27.910 28.738 0.048 0.000 0.898 230 Q HN 0.640 nan 8.270 nan 0.000 0.426 231 A N 0.043 122.863 122.820 0.000 0.000 1.930 231 A HA -0.116 4.208 4.320 0.007 0.000 0.217 231 A C 2.050 179.557 177.584 -0.128 0.000 1.175 231 A CA 1.045 53.066 52.037 -0.026 0.000 0.627 231 A CB -0.626 18.383 19.000 0.016 0.000 0.815 231 A HN 0.341 nan 8.150 nan 0.000 0.443 232 L N -0.679 120.431 121.223 -0.189 0.000 2.056 232 L HA -0.142 4.203 4.340 0.007 0.000 0.207 232 L C 2.624 179.084 176.870 -0.685 0.000 1.078 232 L CA 1.134 55.681 54.840 -0.489 0.000 0.749 232 L CB -0.439 41.411 42.059 -0.349 0.000 0.901 232 L HN 0.301 nan 8.230 nan 0.000 0.433 233 E N 0.001 120.060 120.200 -0.235 0.000 2.110 233 E HA -0.280 4.075 4.350 0.007 0.000 0.193 233 E C 1.932 178.500 176.600 -0.052 0.000 0.988 233 E CA 1.245 57.628 56.400 -0.030 0.000 0.804 233 E CB -0.142 29.594 29.700 0.059 0.000 0.745 233 E HN 0.535 nan 8.360 nan 0.000 0.458 234 E N 0.399 120.550 120.200 -0.082 0.000 2.077 234 E HA -0.153 4.201 4.350 0.007 0.000 0.193 234 E C 1.759 178.318 176.600 -0.069 0.000 0.989 234 E CA 1.680 58.050 56.400 -0.050 0.000 0.800 234 E CB 0.060 29.741 29.700 -0.031 0.000 0.746 234 E HN 0.087 nan 8.360 nan 0.000 0.452 235 T N 0.477 114.944 114.554 -0.144 0.000 2.708 235 T HA -0.131 4.223 4.350 0.007 0.000 0.266 235 T C 1.381 176.058 174.700 -0.039 0.000 1.037 235 T CA 1.426 63.464 62.100 -0.103 0.000 1.146 235 T CB -0.355 68.396 68.868 -0.195 0.000 0.865 235 T HN 0.171 nan 8.240 nan 0.000 0.435 236 F N 1.541 121.496 119.950 0.007 0.000 2.134 236 F HA 0.069 4.600 4.527 0.006 0.000 0.299 236 F C 2.514 178.294 175.800 -0.034 0.000 1.097 236 F CA 0.465 58.459 58.000 -0.010 0.000 1.264 236 F CB -0.895 38.102 39.000 -0.006 0.000 1.001 236 F HN -0.011 nan 8.300 nan 0.000 0.479 237 R N 1.143 121.724 120.500 0.136 0.000 2.081 237 R HA -0.116 4.228 4.340 0.007 0.000 0.235 237 R C 2.058 178.343 176.300 -0.024 0.000 1.131 237 R CA 1.530 57.657 56.100 0.047 0.000 0.960 237 R CB -1.036 29.277 30.300 0.022 0.000 0.856 237 R HN 0.345 nan 8.270 nan 0.000 0.436 238 I N -0.172 120.346 120.570 -0.087 0.000 2.286 238 I HA -0.161 4.014 4.170 0.007 0.000 0.248 238 I C 2.248 178.238 176.117 -0.210 0.000 1.115 238 I CA 1.523 62.691 61.300 -0.219 0.000 1.392 238 I CB -0.704 37.033 38.000 -0.438 0.000 1.065 238 I HN 0.447 nan 8.210 nan 0.000 0.418 239 G N 0.739 109.471 108.800 -0.113 0.000 2.418 239 G HA2 -0.215 3.750 3.960 0.007 0.000 0.217 239 G HA3 -0.215 3.750 3.960 0.007 0.000 0.217 239 G C 1.829 176.714 174.900 -0.025 0.000 1.158 239 G CA 0.397 45.471 45.100 -0.043 0.000 0.771 239 G HN 0.304 nan 8.290 nan 0.000 0.545 240 R N 0.028 120.523 120.500 -0.008 0.000 2.090 240 R HA 0.011 4.355 4.340 0.007 0.000 0.228 240 R C 2.448 178.733 176.300 -0.025 0.000 1.110 240 R CA 0.993 57.088 56.100 -0.009 0.000 0.973 240 R CB -0.175 30.127 30.300 0.003 0.000 0.869 240 R HN 0.253 nan 8.270 nan 0.000 0.440 241 E N 0.883 121.058 120.200 -0.040 0.000 2.110 241 E HA -0.143 4.212 4.350 0.007 0.000 0.193 241 E C 2.028 178.600 176.600 -0.047 0.000 0.988 241 E CA 1.084 57.458 56.400 -0.044 0.000 0.804 241 E CB 0.014 29.679 29.700 -0.059 0.000 0.745 241 E HN 0.359 nan 8.360 nan 0.000 0.458 242 L N 0.000 121.185 121.223 -0.064 0.000 2.416 242 L HA 0.006 4.350 4.340 0.007 0.000 0.216 242 L C 0.418 177.273 176.870 -0.026 0.000 1.098 242 L CA 0.170 54.980 54.840 -0.051 0.000 0.840 242 L CB -0.008 42.004 42.059 -0.078 0.000 0.981 242 L HN 0.049 nan 8.230 nan 0.000 0.462 243 D N 0.601 120.987 120.400 -0.023 0.000 2.716 243 D HA -0.142 4.502 4.640 0.007 0.000 0.239 243 D C -0.567 175.733 176.300 0.000 0.000 1.125 243 D CA 0.792 54.786 54.000 -0.010 0.000 0.681 243 D CB -0.740 40.055 40.800 -0.009 0.000 1.070 243 D HN 0.151 nan 8.370 nan 0.000 0.432 244 V N -3.128 116.789 119.914 0.005 0.000 3.040 244 V HA 0.901 5.025 4.120 0.007 0.000 0.312 244 V C -2.410 173.706 176.094 0.038 0.000 1.115 244 V CA -1.716 60.599 62.300 0.025 0.000 0.998 244 V CB 2.145 33.993 31.823 0.043 0.000 1.042 244 V HN 0.033 nan 8.190 nan 0.000 0.433 245 P HA 0.338 nan 4.420 nan 0.000 0.271 245 P C -0.471 176.875 177.300 0.076 0.000 1.218 245 P CA 0.069 63.188 63.100 0.031 0.000 0.780 245 P CB 1.496 33.189 31.700 -0.012 0.000 0.901 246 V N 0.464 120.434 119.914 0.093 0.000 2.715 246 V HA 0.659 4.783 4.120 0.007 0.000 0.310 246 V C -0.599 175.536 176.094 0.069 0.000 1.054 246 V CA -0.919 61.483 62.300 0.169 0.000 0.928 246 V CB 2.105 34.083 31.823 0.259 0.000 1.007 246 V HN 0.249 nan 8.190 nan 0.000 0.437 247 V N 5.248 125.185 119.914 0.039 0.000 2.443 247 V HA 0.476 4.600 4.120 0.007 0.000 0.293 247 V C -0.108 175.979 176.094 -0.010 0.000 1.021 247 V CA -0.350 61.938 62.300 -0.020 0.000 0.848 247 V CB 1.518 33.303 31.823 -0.063 0.000 0.998 247 V HN 0.842 nan 8.190 nan 0.000 0.424 248 I N 3.805 124.365 120.570 -0.016 0.000 2.322 248 I HA 0.225 4.400 4.170 0.007 0.000 0.292 248 I C 0.737 176.794 176.117 -0.100 0.000 1.060 248 I CA 0.372 61.636 61.300 -0.060 0.000 1.309 248 I CB 1.055 39.006 38.000 -0.082 0.000 1.415 248 I HN 0.556 nan 8.210 nan 0.000 0.492 249 S N 4.593 120.169 115.700 -0.207 0.000 2.565 249 S HA 0.091 4.565 4.470 0.007 0.000 0.276 249 S C 0.105 174.280 174.600 -0.709 0.000 1.326 249 S CA -0.406 57.524 58.200 -0.451 0.000 1.045 249 S CB 0.213 63.070 63.200 -0.572 0.000 0.918 249 S HN 0.878 nan 8.310 nan 0.000 0.505 250 H N -0.437 118.466 119.070 -0.278 0.000 2.133 250 H HA -0.234 4.326 4.556 0.006 0.000 0.319 250 H C -0.302 174.870 175.328 -0.260 0.000 0.911 250 H CA 0.750 56.617 56.048 -0.302 0.000 1.058 250 H CB -2.398 27.195 29.762 -0.282 0.000 1.594 250 H HN 0.677 nan 8.280 nan 0.000 0.331 251 H N 2.196 121.179 119.070 -0.145 0.000 2.928 251 H HA 0.398 4.957 4.556 0.005 0.000 0.338 251 H C 0.743 175.967 175.328 -0.173 0.000 1.047 251 H CA 0.684 56.651 56.048 -0.135 0.000 1.435 251 H CB 0.539 30.230 29.762 -0.117 0.000 1.428 251 H HN 0.881 nan 8.280 nan 0.000 0.590 252 K N 1.603 121.586 120.400 -0.694 0.000 2.672 252 K HA 0.504 4.828 4.320 0.007 0.000 0.295 252 K C -1.933 174.391 176.600 -0.461 0.000 1.042 252 K CA -0.791 55.172 56.287 -0.539 0.000 0.869 252 K CB 0.934 33.237 32.500 -0.328 0.000 1.541 252 K HN 0.334 nan 8.250 nan 0.000 0.396 253 V N -1.082 118.674 119.914 -0.264 0.000 2.409 253 V HA 0.561 4.686 4.120 0.007 0.000 0.290 253 V C -0.304 175.789 176.094 -0.002 0.000 1.017 253 V CA -0.810 61.417 62.300 -0.122 0.000 0.841 253 V CB 0.754 32.534 31.823 -0.070 0.000 1.003 253 V HN 0.864 nan 8.190 nan 0.000 0.426 254 M N 2.989 122.583 119.600 -0.010 0.000 2.363 254 M HA 1.008 5.493 4.480 0.007 0.000 0.343 254 M C 0.285 176.605 176.300 0.032 0.000 1.165 254 M CA 0.110 55.441 55.300 0.052 0.000 1.046 254 M CB 1.614 34.203 32.600 -0.020 0.000 1.648 254 M HN 1.572 nan 8.290 nan 0.000 0.452 255 G N 1.975 110.801 108.800 0.044 0.000 2.911 255 G HA2 -0.131 3.833 3.960 0.007 0.000 0.686 255 G HA3 -0.131 3.833 3.960 0.007 0.000 0.686 255 G C -0.263 174.281 174.900 -0.592 0.000 1.136 255 G CA -0.467 44.531 45.100 -0.170 0.000 0.764 255 G HN 0.959 nan 8.290 nan 0.000 0.626 256 K N 0.728 120.603 120.400 -0.875 0.000 2.113 256 K HA -0.062 4.262 4.320 0.007 0.000 0.208 256 K C 2.431 178.615 176.600 -0.695 0.000 1.047 256 K CA 1.603 57.093 56.287 -1.329 0.000 0.928 256 K CB -0.106 31.986 32.500 -0.680 0.000 0.716 256 K HN 0.516 nan 8.250 nan 0.000 0.446 257 L N 1.078 122.074 121.223 -0.377 0.000 2.551 257 L HA -0.088 4.256 4.340 0.007 0.000 0.228 257 L C 1.062 177.848 176.870 -0.139 0.000 1.153 257 L CA 0.495 55.212 54.840 -0.205 0.000 0.851 257 L CB -0.167 41.800 42.059 -0.152 0.000 0.959 257 L HN 0.231 nan 8.230 nan 0.000 0.451 258 N N -1.214 117.403 118.700 -0.139 0.000 2.171 258 N HA 0.094 4.839 4.740 0.007 0.000 0.212 258 N C 0.037 175.635 175.510 0.147 0.000 1.184 258 N CA -0.118 52.926 53.050 -0.011 0.000 0.888 258 N CB 0.671 39.147 38.487 -0.018 0.000 1.038 258 N HN 0.013 nan 8.380 nan 0.000 0.517 259 F N 1.464 121.392 119.950 -0.036 0.000 2.572 259 F HA 0.211 4.743 4.527 0.008 0.000 0.370 259 F C 1.929 177.711 175.800 -0.030 0.000 1.103 259 F CA 0.668 58.649 58.000 -0.031 0.000 1.286 259 F CB -0.041 38.949 39.000 -0.016 0.000 1.105 259 F HN 0.293 nan 8.300 nan 0.000 0.583 260 G N 3.316 112.192 108.800 0.127 0.000 2.225 260 G HA2 -0.361 3.603 3.960 0.007 0.000 0.254 260 G HA3 -0.361 3.603 3.960 0.007 0.000 0.254 260 G C 1.406 176.324 174.900 0.030 0.000 0.988 260 G CA 0.220 45.352 45.100 0.053 0.000 0.625 260 G HN 0.610 nan 8.290 nan 0.000 0.527 261 R N 1.053 121.575 120.500 0.037 0.000 2.339 261 R HA 0.103 4.448 4.340 0.007 0.000 0.199 261 R C 2.691 178.989 176.300 -0.003 0.000 1.018 261 R CA 1.131 57.240 56.100 0.015 0.000 1.036 261 R CB -0.153 30.154 30.300 0.013 0.000 0.899 261 R HN 0.651 nan 8.270 nan 0.000 0.473 262 S N 0.675 116.362 115.700 -0.023 0.000 2.447 262 S HA -0.124 4.350 4.470 0.007 0.000 0.233 262 S C 1.638 176.222 174.600 -0.028 0.000 1.006 262 S CA 0.726 58.904 58.200 -0.036 0.000 0.957 262 S CB 0.034 63.190 63.200 -0.073 0.000 0.773 262 S HN 0.267 nan 8.310 nan 0.000 0.507 263 K N 1.209 121.597 120.400 -0.019 0.000 2.057 263 K HA -0.111 4.214 4.320 0.007 0.000 0.207 263 K C 2.420 179.011 176.600 -0.016 0.000 1.049 263 K CA 1.567 57.845 56.287 -0.015 0.000 0.931 263 K CB -0.189 32.311 32.500 -0.000 0.000 0.714 263 K HN 0.635 nan 8.250 nan 0.000 0.440 264 E N 0.492 120.690 120.200 -0.003 0.000 2.047 264 E HA -0.176 4.179 4.350 0.007 0.000 0.191 264 E C 1.928 178.533 176.600 0.008 0.000 0.987 264 E CA 1.874 58.278 56.400 0.006 0.000 0.799 264 E CB 0.029 29.737 29.700 0.014 0.000 0.752 264 E HN 0.376 nan 8.360 nan 0.000 0.449 265 T N -0.389 114.178 114.554 0.022 0.000 2.777 265 T HA -0.111 4.243 4.350 0.007 0.000 0.266 265 T C 2.101 176.767 174.700 -0.056 0.000 1.040 265 T CA 1.091 63.219 62.100 0.047 0.000 1.141 265 T CB -0.468 68.517 68.868 0.194 0.000 0.868 265 T HN 0.151 nan 8.240 nan 0.000 0.444 266 L N 0.863 121.999 121.223 -0.145 0.000 2.141 266 L HA 0.086 4.430 4.340 0.007 0.000 0.209 266 L C 3.307 180.019 176.870 -0.262 0.000 1.094 266 L CA 0.987 55.564 54.840 -0.439 0.000 0.763 266 L CB -0.732 40.972 42.059 -0.591 0.000 0.908 266 L HN 0.400 nan 8.230 nan 0.000 0.437 267 A N 0.228 122.989 122.820 -0.097 0.000 1.898 267 A HA -0.142 4.182 4.320 0.007 0.000 0.216 267 A C 2.242 179.823 177.584 -0.004 0.000 1.181 267 A CA 1.258 53.284 52.037 -0.019 0.000 0.620 267 A CB -0.575 18.425 19.000 0.001 0.000 0.819 267 A HN 0.334 nan 8.150 nan 0.000 0.442 268 L N -0.597 120.632 121.223 0.009 0.000 2.046 268 L HA -0.164 4.180 4.340 0.007 0.000 0.208 268 L C 2.474 179.366 176.870 0.037 0.000 1.077 268 L CA 1.204 56.078 54.840 0.056 0.000 0.747 268 L CB -0.463 41.684 42.059 0.146 0.000 0.896 268 L HN 0.382 nan 8.230 nan 0.000 0.432 269 I N -0.451 120.149 120.570 0.051 0.000 2.252 269 I HA -0.282 3.892 4.170 0.007 0.000 0.245 269 I C 2.588 178.728 176.117 0.038 0.000 1.102 269 I CA 1.252 62.594 61.300 0.071 0.000 1.385 269 I CB -0.272 37.715 38.000 -0.021 0.000 1.064 269 I HN 0.320 nan 8.210 nan 0.000 0.414 270 E N 1.207 121.470 120.200 0.104 0.000 2.085 270 E HA -0.256 4.098 4.350 0.007 0.000 0.194 270 E C 2.264 178.888 176.600 0.039 0.000 0.994 270 E CA 1.375 57.889 56.400 0.190 0.000 0.801 270 E CB -0.001 29.854 29.700 0.258 0.000 0.743 270 E HN 0.498 nan 8.360 nan 0.000 0.453 271 A N 1.008 123.815 122.820 -0.022 0.000 1.898 271 A HA -0.062 4.262 4.320 0.007 0.000 0.216 271 A C 2.355 179.846 177.584 -0.156 0.000 1.181 271 A CA 1.626 53.621 52.037 -0.069 0.000 0.620 271 A CB -0.636 18.325 19.000 -0.065 0.000 0.819 271 A HN 0.392 nan 8.150 nan 0.000 0.442 272 A N -0.397 122.243 122.820 -0.300 0.000 1.933 272 A HA -0.102 4.222 4.320 0.007 0.000 0.218 272 A C 2.182 179.605 177.584 -0.268 0.000 1.175 272 A CA 1.696 53.437 52.037 -0.493 0.000 0.628 272 A CB -0.578 17.679 19.000 -1.237 0.000 0.814 272 A HN 0.533 nan 8.150 nan 0.000 0.444 273 M N -0.433 119.079 119.600 -0.148 0.000 2.358 273 M HA -0.123 4.361 4.480 0.007 0.000 0.264 273 M C 2.277 178.546 176.300 -0.052 0.000 1.064 273 M CA 1.117 56.380 55.300 -0.061 0.000 1.093 273 M CB -0.328 32.276 32.600 0.007 0.000 1.401 273 M HN 0.481 nan 8.290 nan 0.000 0.440 274 A N -0.057 122.726 122.820 -0.062 0.000 2.014 274 A HA -0.081 4.243 4.320 0.007 0.000 0.218 274 A C 2.210 179.764 177.584 -0.050 0.000 1.163 274 A CA 1.771 53.781 52.037 -0.045 0.000 0.652 274 A CB -0.365 18.611 19.000 -0.040 0.000 0.808 274 A HN 0.553 nan 8.150 nan 0.000 0.449 275 S N -1.837 113.819 115.700 -0.073 0.000 2.559 275 S HA 0.257 4.731 4.470 0.007 0.000 0.226 275 S C 0.424 174.989 174.600 -0.059 0.000 1.030 275 S CA 0.061 58.224 58.200 -0.063 0.000 0.956 275 S CB -0.099 63.060 63.200 -0.069 0.000 0.900 275 S HN 0.778 nan 8.310 nan 0.000 0.510 276 Q N -0.026 119.731 119.800 -0.071 0.000 2.565 276 Q HA 0.472 4.817 4.340 0.007 0.000 0.294 276 Q C -2.102 173.878 176.000 -0.032 0.000 1.005 276 Q CA -0.919 54.856 55.803 -0.048 0.000 0.771 276 Q CB 0.681 29.390 28.738 -0.049 0.000 1.486 276 Q HN -0.041 nan 8.270 nan 0.000 0.422 277 D N 1.269 121.665 120.400 -0.008 0.000 2.352 277 D HA 0.349 4.994 4.640 0.007 0.000 0.245 277 D C -1.247 175.067 176.300 0.023 0.000 1.224 277 D CA 0.085 54.085 54.000 0.001 0.000 0.879 277 D CB 0.906 41.707 40.800 0.002 0.000 1.057 277 D HN 0.375 nan 8.370 nan 0.000 0.491 278 V N 2.579 122.507 119.914 0.023 0.000 2.709 278 V HA 0.508 4.632 4.120 0.007 0.000 0.308 278 V C -0.006 176.111 176.094 0.039 0.000 1.062 278 V CA -0.697 61.641 62.300 0.064 0.000 0.901 278 V CB 2.228 34.114 31.823 0.104 0.000 1.003 278 V HN 0.498 nan 8.190 nan 0.000 0.425 279 S N 3.880 119.595 115.700 0.024 0.000 2.661 279 S HA 0.941 5.415 4.470 0.007 0.000 0.285 279 S C -1.021 173.584 174.600 0.009 0.000 1.138 279 S CA -0.749 57.445 58.200 -0.010 0.000 0.855 279 S CB 2.289 65.422 63.200 -0.112 0.000 1.136 279 S HN 0.927 nan 8.310 nan 0.000 0.484 280 L N -0.157 121.074 121.223 0.015 0.000 2.653 280 L HA 0.902 5.246 4.340 0.007 0.000 0.257 280 L C -2.254 174.638 176.870 0.037 0.000 0.969 280 L CA -0.982 53.869 54.840 0.018 0.000 0.869 280 L CB 2.058 44.122 42.059 0.009 0.000 1.439 280 L HN 0.710 nan 8.230 nan 0.000 0.414 281 D N 1.253 121.673 120.400 0.033 0.000 2.566 281 D HA 0.940 5.585 4.640 0.007 0.000 0.254 281 D C -0.834 175.465 176.300 -0.002 0.000 1.090 281 D CA -0.274 53.750 54.000 0.040 0.000 1.034 281 D CB 2.200 43.058 40.800 0.097 0.000 1.434 281 D HN 1.106 nan 8.370 nan 0.000 0.509 282 A N -0.794 122.013 122.820 -0.022 0.000 2.601 282 A HA 0.617 4.941 4.320 0.007 0.000 0.291 282 A C -1.935 175.600 177.584 -0.081 0.000 1.075 282 A CA -1.176 50.785 52.037 -0.126 0.000 0.671 282 A CB 0.771 19.679 19.000 -0.152 0.000 1.277 282 A HN 0.792 nan 8.150 nan 0.000 0.417 283 Y N -0.666 119.623 120.300 -0.018 0.000 2.446 283 Y HA 0.786 5.341 4.550 0.009 0.000 0.338 283 Y C -2.335 173.592 175.900 0.045 0.000 1.055 283 Y CA -3.262 54.839 58.100 0.003 0.000 1.101 283 Y CB 0.976 39.453 38.460 0.029 0.000 1.221 283 Y HN 0.356 nan 8.280 nan 0.000 0.460 284 P HA 0.159 nan 4.420 nan 0.000 0.220 284 P C -1.636 175.588 177.300 -0.126 0.000 1.778 284 P CA 0.494 63.581 63.100 -0.022 0.000 0.912 284 P CB -0.708 30.964 31.700 -0.047 0.000 1.861 285 Y N -1.509 118.994 120.300 0.339 0.000 2.615 285 Y HA 0.214 4.769 4.550 0.009 0.000 0.341 285 Y C 1.348 177.438 175.900 0.317 0.000 1.089 285 Y CA -1.113 57.214 58.100 0.378 0.000 1.049 285 Y CB 1.621 40.374 38.460 0.489 0.000 1.296 285 Y HN -0.240 nan 8.280 nan 0.000 0.470 286 V N -1.559 118.623 119.914 0.446 0.000 3.596 286 V HA 0.702 4.826 4.120 0.007 0.000 0.289 286 V C 0.295 176.518 176.094 0.215 0.000 1.336 286 V CA 0.375 62.834 62.300 0.264 0.000 1.137 286 V CB -0.695 31.253 31.823 0.208 0.000 0.966 286 V HN 0.641 nan 8.190 nan 0.000 0.428 287 A N -0.193 122.777 122.820 0.250 0.000 2.386 287 A HA 0.920 5.245 4.320 0.007 0.000 0.311 287 A C 0.187 177.906 177.584 0.225 0.000 1.068 287 A CA 0.009 52.013 52.037 -0.054 0.000 0.743 287 A CB 1.422 19.851 19.000 -0.952 0.000 1.258 287 A HN 0.645 nan 8.150 nan 0.000 0.429 288 G N -0.452 108.436 108.800 0.147 0.000 2.613 288 G HA2 0.638 4.603 3.960 0.007 0.000 0.303 288 G HA3 0.638 4.603 3.960 0.007 0.000 0.303 288 G C -0.407 174.580 174.900 0.146 0.000 1.312 288 G CA -0.088 45.099 45.100 0.145 0.000 1.036 288 G HN 1.475 nan 8.290 nan 0.000 0.513 289 S N -2.008 113.756 115.700 0.107 0.000 2.560 289 S HA 0.662 5.136 4.470 0.007 0.000 0.283 289 S C -0.655 174.053 174.600 0.181 0.000 1.141 289 S CA 0.273 58.545 58.200 0.121 0.000 0.902 289 S CB 1.600 64.828 63.200 0.047 0.000 1.104 289 S HN 1.311 nan 8.310 nan 0.000 0.454 290 T N 2.674 117.380 114.554 0.253 0.000 2.686 290 T HA 0.392 4.746 4.350 0.007 0.000 0.289 290 T C -1.017 173.829 174.700 0.244 0.000 1.783 290 T CA -0.126 62.140 62.100 0.275 0.000 0.966 290 T CB -0.009 69.121 68.868 0.436 0.000 2.034 290 T HN 1.046 nan 8.240 nan 0.000 0.436 291 M N 1.947 121.680 119.600 0.222 0.000 2.250 291 M HA 0.514 4.998 4.480 0.007 0.000 0.325 291 M C -0.067 176.323 176.300 0.151 0.000 1.084 291 M CA -0.387 54.984 55.300 0.118 0.000 1.161 291 M CB -0.042 32.606 32.600 0.080 0.000 1.481 291 M HN 0.489 nan 8.290 nan 0.000 0.449 292 L N 3.060 124.267 121.223 -0.027 0.000 2.410 292 L HA 0.362 4.706 4.340 0.007 0.000 0.273 292 L C -0.436 176.478 176.870 0.074 0.000 1.144 292 L CA 0.937 55.801 54.840 0.041 0.000 0.863 292 L CB 0.176 42.158 42.059 -0.128 0.000 1.140 292 L HN 0.865 nan 8.230 nan 0.000 0.463 293 K N 3.763 124.248 120.400 0.141 0.000 2.469 293 K HA 0.320 4.644 4.320 0.007 0.000 0.254 293 K C -0.963 175.605 176.600 -0.053 0.000 0.939 293 K CA -0.666 55.637 56.287 0.027 0.000 0.812 293 K CB 1.534 34.066 32.500 0.052 0.000 1.301 293 K HN 0.638 nan 8.250 nan 0.000 0.433 294 Q N 2.663 122.363 119.800 -0.166 0.000 2.513 294 Q HA 0.030 4.374 4.340 0.007 0.000 0.227 294 Q C -1.207 174.705 176.000 -0.147 0.000 1.257 294 Q CA 0.398 55.976 55.803 -0.376 0.000 0.915 294 Q CB 0.301 28.674 28.738 -0.608 0.000 1.507 294 Q HN 0.325 nan 8.270 nan 0.000 0.543 295 D N 1.382 121.793 120.400 0.018 0.000 2.788 295 D HA 0.144 4.788 4.640 0.007 0.000 0.247 295 D C 0.419 176.837 176.300 0.196 0.000 1.236 295 D CA -0.400 53.670 54.000 0.117 0.000 0.898 295 D CB 1.032 41.846 40.800 0.024 0.000 1.401 295 D HN 0.310 nan 8.370 nan 0.000 0.549 296 R N 1.790 122.426 120.500 0.227 0.000 2.148 296 R HA -0.033 4.311 4.340 0.007 0.000 0.227 296 R C 1.782 178.114 176.300 0.054 0.000 1.103 296 R CA 0.867 57.042 56.100 0.124 0.000 0.983 296 R CB 0.274 30.563 30.300 -0.020 0.000 0.874 296 R HN 0.290 nan 8.270 nan 0.000 0.451 297 V N 1.218 121.153 119.914 0.034 0.000 2.346 297 V HA -0.169 3.955 4.120 0.007 0.000 0.244 297 V C 2.325 178.412 176.094 -0.012 0.000 1.037 297 V CA 1.343 63.643 62.300 0.001 0.000 1.029 297 V CB -0.398 31.424 31.823 -0.003 0.000 0.663 297 V HN 0.251 nan 8.190 nan 0.000 0.454 298 L N -0.394 120.791 121.223 -0.064 0.000 2.042 298 L HA -0.184 4.160 4.340 0.007 0.000 0.210 298 L C 2.190 179.028 176.870 -0.053 0.000 1.076 298 L CA 1.648 56.345 54.840 -0.239 0.000 0.749 298 L CB -0.387 41.297 42.059 -0.625 0.000 0.893 298 L HN 0.322 nan 8.230 nan 0.000 0.432 299 L N -0.981 120.273 121.223 0.050 0.000 2.599 299 L HA 0.030 4.374 4.340 0.007 0.000 0.230 299 L C 2.560 179.509 176.870 0.132 0.000 1.141 299 L CA 0.096 55.037 54.840 0.169 0.000 0.877 299 L CB -0.510 41.657 42.059 0.181 0.000 1.009 299 L HN 0.159 nan 8.230 nan 0.000 0.447 300 A N 0.497 123.369 122.820 0.087 0.000 1.902 300 A HA 0.035 4.360 4.320 0.007 0.000 0.217 300 A C 1.562 179.187 177.584 0.068 0.000 1.181 300 A CA 1.551 53.620 52.037 0.054 0.000 0.623 300 A CB -0.666 18.341 19.000 0.011 0.000 0.818 300 A HN 0.396 nan 8.150 nan 0.000 0.443 301 G N -1.582 107.286 108.800 0.112 0.000 2.671 301 G HA2 0.454 4.419 3.960 0.007 0.000 0.275 301 G HA3 0.454 4.419 3.960 0.007 0.000 0.275 301 G C -0.130 174.851 174.900 0.134 0.000 1.368 301 G CA -0.794 44.379 45.100 0.121 0.000 1.044 301 G HN 0.460 nan 8.290 nan 0.000 0.543 302 R N -0.340 120.222 120.500 0.104 0.000 2.504 302 R HA 0.194 4.539 4.340 0.007 0.000 0.291 302 R C -0.861 175.556 176.300 0.196 0.000 0.974 302 R CA 0.661 56.792 56.100 0.050 0.000 1.077 302 R CB -0.250 29.936 30.300 -0.189 0.000 0.926 302 R HN 0.338 nan 8.270 nan 0.000 0.407 303 T N 6.096 120.718 114.554 0.113 0.000 2.881 303 T HA 0.417 4.771 4.350 0.007 0.000 0.290 303 T C -0.597 174.100 174.700 -0.005 0.000 1.000 303 T CA -0.638 61.507 62.100 0.075 0.000 0.978 303 T CB 1.147 70.074 68.868 0.098 0.000 0.997 303 T HN 0.418 nan 8.240 nan 0.000 0.443 304 L N 3.334 124.524 121.223 -0.056 0.000 2.362 304 L HA 0.594 4.938 4.340 0.007 0.000 0.271 304 L C -0.366 176.434 176.870 -0.117 0.000 1.002 304 L CA -1.369 53.440 54.840 -0.053 0.000 0.818 304 L CB 1.617 43.681 42.059 0.009 0.000 1.298 304 L HN 0.395 nan 8.230 nan 0.000 0.420 305 I N 1.636 122.154 120.570 -0.086 0.000 2.441 305 I HA 0.065 4.239 4.170 0.007 0.000 0.287 305 I C 1.416 177.498 176.117 -0.057 0.000 1.049 305 I CA 0.246 61.479 61.300 -0.111 0.000 1.381 305 I CB 1.456 39.409 38.000 -0.079 0.000 1.409 305 I HN 0.780 nan 8.210 nan 0.000 0.523 306 T N 3.049 117.556 114.554 -0.079 0.000 3.039 306 T HA 0.096 4.450 4.350 0.007 0.000 0.250 306 T C 0.161 175.007 174.700 0.242 0.000 1.052 306 T CA -0.004 62.146 62.100 0.083 0.000 1.125 306 T CB 0.408 69.370 68.868 0.158 0.000 0.908 306 T HN 0.673 nan 8.240 nan 0.000 0.473 307 W N -0.832 120.481 121.300 0.023 0.000 3.161 307 W HA 0.643 5.307 4.660 0.007 0.000 0.314 307 W C -2.231 174.310 176.519 0.035 0.000 1.245 307 W CA -2.012 55.354 57.345 0.035 0.000 1.191 307 W CB 0.853 30.338 29.460 0.042 0.000 1.392 307 W HN 0.029 nan 8.180 nan 0.000 0.568 308 C N 3.488 122.947 119.300 0.265 0.000 2.705 308 C HA 0.312 4.776 4.460 0.007 0.000 0.369 308 C C 1.322 176.446 174.990 0.223 0.000 1.069 308 C CA -0.353 58.726 59.018 0.102 0.000 1.260 308 C CB 1.175 28.955 27.740 0.067 0.000 1.764 308 C HN 0.927 nan 8.230 nan 0.000 0.469 309 K N 4.674 125.216 120.400 0.237 0.000 1.984 309 K HA -0.002 4.323 4.320 0.007 0.000 0.209 309 K C -0.593 176.005 176.600 -0.003 0.000 1.046 309 K CA 2.027 58.416 56.287 0.170 0.000 0.934 309 K CB -0.303 32.311 32.500 0.189 0.000 0.717 309 K HN 0.713 nan 8.250 nan 0.000 0.438 310 P HA -0.127 nan 4.420 nan 0.000 0.221 310 P C -0.500 176.387 177.300 -0.688 0.000 1.150 310 P CA 1.258 64.089 63.100 -0.448 0.000 0.800 310 P CB 0.176 31.526 31.700 -0.583 0.000 0.787 311 Y N -1.484 118.837 120.300 0.035 0.000 2.592 311 Y HA 0.359 4.913 4.550 0.007 0.000 0.354 311 Y C -1.869 174.057 175.900 0.043 0.000 1.063 311 Y CA -2.442 55.676 58.100 0.029 0.000 1.205 311 Y CB 0.870 39.337 38.460 0.012 0.000 1.106 311 Y HN -0.091 nan 8.280 nan 0.000 0.649 312 P HA -0.226 nan 4.420 nan 0.000 0.217 312 P C 1.487 178.862 177.300 0.125 0.000 1.148 312 P CA 1.669 64.851 63.100 0.136 0.000 0.828 312 P CB 0.410 32.172 31.700 0.104 0.000 0.783 313 E N 0.297 120.569 120.200 0.120 0.000 2.409 313 E HA -0.127 4.228 4.350 0.007 0.000 0.198 313 E C 1.581 178.226 176.600 0.074 0.000 1.024 313 E CA 0.848 57.301 56.400 0.089 0.000 0.861 313 E CB -1.140 28.606 29.700 0.077 0.000 0.788 313 E HN 0.322 nan 8.360 nan 0.000 0.521 314 L N 1.243 122.518 121.223 0.087 0.000 2.478 314 L HA 0.035 4.380 4.340 0.007 0.000 0.223 314 L C 0.873 177.769 176.870 0.044 0.000 1.140 314 L CA -0.011 54.860 54.840 0.051 0.000 0.842 314 L CB -0.274 41.814 42.059 0.049 0.000 0.953 314 L HN -0.113 nan 8.230 nan 0.000 0.452 315 S N 0.626 116.369 115.700 0.071 0.000 2.596 315 S HA 0.220 4.694 4.470 0.007 0.000 0.298 315 S C 1.240 175.873 174.600 0.056 0.000 1.255 315 S CA 0.777 59.023 58.200 0.078 0.000 1.083 315 S CB 0.540 63.811 63.200 0.119 0.000 0.837 315 S HN 0.634 nan 8.310 nan 0.000 0.499 316 G N 3.470 112.296 108.800 0.042 0.000 2.217 316 G HA2 -0.225 3.739 3.960 0.007 0.000 0.246 316 G HA3 -0.225 3.739 3.960 0.007 0.000 0.246 316 G C 0.157 175.065 174.900 0.014 0.000 0.990 316 G CA -0.284 44.837 45.100 0.034 0.000 0.627 316 G HN 0.629 nan 8.290 nan 0.000 0.522 317 R N 0.797 121.300 120.500 0.005 0.000 2.615 317 R HA 0.378 4.722 4.340 0.007 0.000 0.270 317 R C -0.476 175.812 176.300 -0.020 0.000 1.081 317 R CA -0.381 55.714 56.100 -0.008 0.000 1.154 317 R CB 0.496 30.790 30.300 -0.010 0.000 1.063 317 R HN 0.236 nan 8.270 nan 0.000 0.519 318 D N 1.972 122.357 120.400 -0.024 0.000 2.317 318 D HA -0.026 4.618 4.640 0.007 0.000 0.252 318 D C 0.890 177.175 176.300 -0.025 0.000 1.174 318 D CA -0.223 53.760 54.000 -0.029 0.000 0.866 318 D CB 1.259 42.037 40.800 -0.036 0.000 1.127 318 D HN 0.236 nan 8.370 nan 0.000 0.467 319 L N 4.838 126.048 121.223 -0.021 0.000 2.127 319 L HA -0.149 4.195 4.340 0.007 0.000 0.211 319 L C 1.965 178.831 176.870 -0.007 0.000 1.089 319 L CA 1.792 56.623 54.840 -0.015 0.000 0.757 319 L CB -0.501 41.556 42.059 -0.002 0.000 0.899 319 L HN 0.493 nan 8.230 nan 0.000 0.434 320 E N 0.024 120.222 120.200 -0.004 0.000 2.085 320 E HA -0.237 4.117 4.350 0.007 0.000 0.194 320 E C 2.032 178.625 176.600 -0.013 0.000 0.994 320 E CA 1.801 58.199 56.400 -0.003 0.000 0.801 320 E CB -0.147 29.549 29.700 -0.007 0.000 0.743 320 E HN 0.630 nan 8.360 nan 0.000 0.453 321 E N -0.155 120.033 120.200 -0.020 0.000 2.047 321 E HA -0.153 4.201 4.350 0.007 0.000 0.191 321 E C 2.285 178.867 176.600 -0.029 0.000 0.987 321 E CA 1.293 57.678 56.400 -0.024 0.000 0.799 321 E CB -0.194 29.490 29.700 -0.026 0.000 0.752 321 E HN 0.378 nan 8.360 nan 0.000 0.449 322 I N 1.261 121.811 120.570 -0.033 0.000 2.163 322 I HA -0.298 3.877 4.170 0.007 0.000 0.243 322 I C 2.627 178.718 176.117 -0.044 0.000 1.085 322 I CA 1.112 62.383 61.300 -0.047 0.000 1.347 322 I CB -0.409 37.560 38.000 -0.052 0.000 1.044 322 I HN 0.077 nan 8.210 nan 0.000 0.408 323 A N 0.828 123.632 122.820 -0.027 0.000 1.858 323 A HA -0.176 4.148 4.320 0.007 0.000 0.216 323 A C 2.577 180.152 177.584 -0.016 0.000 1.190 323 A CA 1.989 54.016 52.037 -0.016 0.000 0.617 323 A CB -1.017 17.985 19.000 0.005 0.000 0.827 323 A HN 0.433 nan 8.150 nan 0.000 0.443 324 A N -0.231 122.581 122.820 -0.014 0.000 1.892 324 A HA -0.228 4.097 4.320 0.007 0.000 0.218 324 A C 1.883 179.456 177.584 -0.020 0.000 1.188 324 A CA 1.888 53.917 52.037 -0.013 0.000 0.631 324 A CB -0.624 18.368 19.000 -0.013 0.000 0.822 324 A HN 0.643 nan 8.150 nan 0.000 0.447 325 E N -0.975 119.208 120.200 -0.027 0.000 2.347 325 E HA -0.061 4.293 4.350 0.007 0.000 0.196 325 E C 1.826 178.402 176.600 -0.039 0.000 1.008 325 E CA 0.425 56.806 56.400 -0.033 0.000 0.852 325 E CB -0.008 29.669 29.700 -0.038 0.000 0.783 325 E HN 0.484 nan 8.360 nan 0.000 0.505 326 R N -0.598 119.877 120.500 -0.041 0.000 2.334 326 R HA 0.108 4.452 4.340 0.007 0.000 0.216 326 R C 0.700 176.984 176.300 -0.026 0.000 0.905 326 R CA 0.523 56.596 56.100 -0.045 0.000 1.064 326 R CB 0.845 31.109 30.300 -0.060 0.000 1.046 326 R HN 0.161 nan 8.270 nan 0.000 0.508 327 G N 2.272 111.061 108.800 -0.018 0.000 2.225 327 G HA2 -0.296 3.668 3.960 0.007 0.000 0.264 327 G HA3 -0.296 3.668 3.960 0.007 0.000 0.264 327 G C -0.279 174.620 174.900 -0.002 0.000 1.060 327 G CA 0.448 45.542 45.100 -0.009 0.000 0.833 327 G HN 0.270 nan 8.290 nan 0.000 0.498 328 K N -0.592 119.808 120.400 0.001 0.000 2.509 328 K HA 0.668 4.993 4.320 0.007 0.000 0.266 328 K C 0.448 177.063 176.600 0.024 0.000 0.987 328 K CA -0.314 55.982 56.287 0.015 0.000 0.868 328 K CB 1.616 34.126 32.500 0.016 0.000 1.421 328 K HN 0.421 nan 8.250 nan 0.000 0.444 329 S N 0.090 115.817 115.700 0.044 0.000 2.614 329 S HA 0.153 4.628 4.470 0.007 0.000 0.265 329 S C 0.869 175.514 174.600 0.076 0.000 1.303 329 S CA -0.474 57.761 58.200 0.059 0.000 1.000 329 S CB 0.967 64.213 63.200 0.077 0.000 0.935 329 S HN 0.573 nan 8.310 nan 0.000 0.551 330 K N -0.076 120.374 120.400 0.083 0.000 2.097 330 K HA -0.160 4.164 4.320 0.007 0.000 0.206 330 K C 1.814 178.482 176.600 0.112 0.000 1.049 330 K CA 1.645 57.982 56.287 0.084 0.000 0.933 330 K CB -0.491 32.064 32.500 0.091 0.000 0.717 330 K HN 0.748 nan 8.250 nan 0.000 0.442 331 Y N 2.544 122.856 120.300 0.019 0.000 2.145 331 Y HA -0.221 4.333 4.550 0.007 0.000 0.286 331 Y C 1.690 177.597 175.900 0.012 0.000 1.145 331 Y CA 1.671 59.782 58.100 0.017 0.000 1.148 331 Y CB -0.041 38.425 38.460 0.010 0.000 0.981 331 Y HN 0.058 nan 8.280 nan 0.000 0.507 332 D N -0.906 119.619 120.400 0.209 0.000 2.269 332 D HA -0.133 4.512 4.640 0.007 0.000 0.208 332 D C 2.123 178.434 176.300 0.019 0.000 0.963 332 D CA 0.913 54.979 54.000 0.109 0.000 0.864 332 D CB -0.158 40.714 40.800 0.120 0.000 0.936 332 D HN 0.341 nan 8.370 nan 0.000 0.505 333 V N 0.148 120.069 119.914 0.012 0.000 3.129 333 V HA -0.101 4.024 4.120 0.007 0.000 0.259 333 V C 2.163 178.242 176.094 -0.025 0.000 1.116 333 V CA 0.521 62.817 62.300 -0.006 0.000 1.127 333 V CB 0.109 31.928 31.823 -0.007 0.000 0.742 333 V HN -0.037 nan 8.190 nan 0.000 0.474 334 V N 1.249 121.129 119.914 -0.057 0.000 2.282 334 V HA -0.183 3.941 4.120 0.007 0.000 0.249 334 V C 0.221 176.278 176.094 -0.062 0.000 1.057 334 V CA 2.867 65.123 62.300 -0.073 0.000 1.032 334 V CB -1.787 29.957 31.823 -0.132 0.000 0.645 334 V HN 0.518 nan 8.190 nan 0.000 0.447 335 P HA -0.224 nan 4.420 nan 0.000 0.216 335 P C 1.596 178.894 177.300 -0.003 0.000 1.157 335 P CA 1.921 64.994 63.100 -0.045 0.000 0.880 335 P CB -0.170 31.504 31.700 -0.044 0.000 0.791 336 E N -0.390 119.825 120.200 0.024 0.000 2.418 336 E HA -0.085 4.269 4.350 0.007 0.000 0.197 336 E C 1.478 178.176 176.600 0.163 0.000 1.026 336 E CA 0.728 57.179 56.400 0.085 0.000 0.862 336 E CB -0.811 28.944 29.700 0.091 0.000 0.799 336 E HN 0.285 nan 8.360 nan 0.000 0.518 337 L N 0.495 121.778 121.223 0.100 0.000 2.585 337 L HA 0.152 4.496 4.340 0.007 0.000 0.226 337 L C 0.998 177.884 176.870 0.025 0.000 1.113 337 L CA -0.114 54.803 54.840 0.129 0.000 0.876 337 L CB 0.043 42.136 42.059 0.057 0.000 1.072 337 L HN 0.063 nan 8.230 nan 0.000 0.468 338 Q N 1.825 121.618 119.800 -0.013 0.000 2.340 338 Q HA 0.234 4.578 4.340 0.007 0.000 0.249 338 Q C -2.073 173.910 176.000 -0.027 0.000 0.957 338 Q CA -1.770 54.003 55.803 -0.050 0.000 0.882 338 Q CB 0.728 29.437 28.738 -0.049 0.000 1.235 338 Q HN -0.022 nan 8.270 nan 0.000 0.439 339 P HA 0.368 nan 4.420 nan 0.000 0.282 339 P C -1.466 175.713 177.300 -0.203 0.000 1.249 339 P CA -0.125 62.959 63.100 -0.027 0.000 0.806 339 P CB 1.373 33.145 31.700 0.120 0.000 0.984 340 A N 1.238 123.704 122.820 -0.589 0.000 2.536 340 A HA 0.808 5.132 4.320 0.007 0.000 0.293 340 A C -0.830 175.877 177.584 -1.462 0.000 1.119 340 A CA -0.283 51.025 52.037 -1.215 0.000 0.654 340 A CB 1.224 19.894 19.000 -0.551 0.000 1.291 340 A HN 0.656 nan 8.150 nan 0.000 0.439 341 G N -1.542 106.276 108.800 -1.635 0.000 2.605 341 G HA2 0.936 4.900 3.960 0.007 0.000 0.296 341 G HA3 0.936 4.900 3.960 0.007 0.000 0.296 341 G C -0.581 174.031 174.900 -0.479 0.000 1.304 341 G CA 0.108 44.682 45.100 -0.878 0.000 0.941 341 G HN 2.127 nan 8.290 nan 0.000 0.475 342 A N -0.355 122.278 122.820 -0.313 0.000 2.581 342 A HA 0.802 5.126 4.320 0.007 0.000 0.290 342 A C -1.538 175.749 177.584 -0.495 0.000 1.119 342 A CA -0.613 51.163 52.037 -0.435 0.000 0.670 342 A CB 1.001 19.619 19.000 -0.638 0.000 1.280 342 A HN 0.717 nan 8.150 nan 0.000 0.425 343 I N 0.617 120.891 120.570 -0.493 0.000 2.433 343 I HA 0.437 4.612 4.170 0.007 0.000 0.292 343 I C -1.615 174.235 176.117 -0.445 0.000 1.001 343 I CA -0.397 60.698 61.300 -0.341 0.000 1.119 343 I CB 1.640 39.542 38.000 -0.163 0.000 1.289 343 I HN 0.593 nan 8.210 nan 0.000 0.438 344 Y N 5.547 125.811 120.300 -0.060 0.000 2.345 344 Y HA 0.382 4.936 4.550 0.007 0.000 0.331 344 Y C -0.447 175.403 175.900 -0.082 0.000 0.959 344 Y CA -0.752 57.346 58.100 -0.003 0.000 1.204 344 Y CB 0.871 39.357 38.460 0.044 0.000 1.135 344 Y HN 0.337 nan 8.280 nan 0.000 0.477 345 F N 5.318 125.339 119.950 0.117 0.000 2.566 345 F HA 0.151 4.682 4.527 0.006 0.000 0.349 345 F C 0.432 176.315 175.800 0.139 0.000 1.245 345 F CA -0.552 57.490 58.000 0.070 0.000 1.169 345 F CB 0.278 39.253 39.000 -0.041 0.000 1.470 345 F HN 0.488 nan 8.300 nan 0.000 0.634 346 M N 0.278 120.032 119.600 0.257 0.000 2.603 346 M HA 0.445 4.929 4.480 0.007 0.000 0.380 346 M C -0.733 175.769 176.300 0.337 0.000 1.158 346 M CA 0.027 55.488 55.300 0.269 0.000 0.921 346 M CB 0.042 32.743 32.600 0.168 0.000 1.417 346 M HN 0.189 nan 8.290 nan 0.000 0.523 347 M N -0.081 119.667 119.600 0.246 0.000 2.761 347 M HA 0.612 5.096 4.480 0.007 0.000 0.305 347 M C -1.293 174.854 176.300 -0.255 0.000 1.235 347 M CA -0.562 54.782 55.300 0.073 0.000 0.850 347 M CB 2.188 34.800 32.600 0.020 0.000 1.744 347 M HN 0.083 nan 8.290 nan 0.000 0.480 348 D N 0.053 120.066 120.400 -0.644 0.000 2.505 348 D HA 0.196 4.840 4.640 0.007 0.000 0.249 348 D C 0.337 176.440 176.300 -0.327 0.000 1.082 348 D CA -0.170 53.381 54.000 -0.748 0.000 0.839 348 D CB 1.749 41.654 40.800 -1.491 0.000 1.317 348 D HN 0.589 nan 8.370 nan 0.000 0.497 349 E N 3.332 123.432 120.200 -0.167 0.000 2.086 349 E HA -0.156 4.198 4.350 0.007 0.000 0.200 349 E C -1.163 175.396 176.600 -0.069 0.000 1.012 349 E CA 2.010 58.379 56.400 -0.051 0.000 0.812 349 E CB -0.675 29.034 29.700 0.015 0.000 0.743 349 E HN 0.417 nan 8.360 nan 0.000 0.453 350 P HA -0.126 nan 4.420 nan 0.000 0.215 350 P C 0.687 177.932 177.300 -0.092 0.000 1.153 350 P CA 1.826 64.879 63.100 -0.078 0.000 0.853 350 P CB -0.047 31.609 31.700 -0.075 0.000 0.788 351 D N -0.928 119.391 120.400 -0.135 0.000 2.117 351 D HA -0.094 4.550 4.640 0.007 0.000 0.198 351 D C 2.037 178.259 176.300 -0.130 0.000 0.982 351 D CA 1.080 55.002 54.000 -0.129 0.000 0.828 351 D CB -0.594 40.110 40.800 -0.160 0.000 0.967 351 D HN -0.019 nan 8.370 nan 0.000 0.464 352 V N 1.312 121.144 119.914 -0.137 0.000 2.287 352 V HA -0.271 3.854 4.120 0.007 0.000 0.248 352 V C 2.553 178.545 176.094 -0.169 0.000 1.053 352 V CA 1.659 63.872 62.300 -0.145 0.000 1.027 352 V CB -0.552 31.214 31.823 -0.096 0.000 0.646 352 V HN 0.192 nan 8.190 nan 0.000 0.447 353 Q N -0.590 119.120 119.800 -0.149 0.000 2.084 353 Q HA -0.231 4.113 4.340 0.007 0.000 0.202 353 Q C 2.512 178.445 176.000 -0.111 0.000 0.978 353 Q CA 1.753 57.446 55.803 -0.184 0.000 0.844 353 Q CB -0.230 28.448 28.738 -0.100 0.000 0.898 353 Q HN 0.541 nan 8.270 nan 0.000 0.426 354 R N 0.637 121.098 120.500 -0.064 0.000 2.081 354 R HA -0.123 4.221 4.340 0.007 0.000 0.235 354 R C 2.094 178.417 176.300 0.037 0.000 1.131 354 R CA 1.174 57.268 56.100 -0.009 0.000 0.960 354 R CB -0.128 30.161 30.300 -0.019 0.000 0.856 354 R HN 0.232 nan 8.270 nan 0.000 0.436 355 I N 0.660 121.228 120.570 -0.004 0.000 2.252 355 I HA -0.280 3.894 4.170 0.007 0.000 0.245 355 I C 2.147 178.330 176.117 0.110 0.000 1.102 355 I CA 1.039 62.368 61.300 0.048 0.000 1.385 355 I CB -0.170 37.819 38.000 -0.018 0.000 1.064 355 I HN 0.234 nan 8.210 nan 0.000 0.414 356 L N 0.545 121.783 121.223 0.025 0.000 2.046 356 L HA -0.186 4.159 4.340 0.007 0.000 0.208 356 L C 2.794 179.828 176.870 0.274 0.000 1.077 356 L CA 1.374 56.263 54.840 0.082 0.000 0.747 356 L CB -0.634 41.379 42.059 -0.076 0.000 0.896 356 L HN 0.231 nan 8.230 nan 0.000 0.432 357 A N -0.360 122.589 122.820 0.216 0.000 2.015 357 A HA -0.174 4.150 4.320 0.007 0.000 0.219 357 A C 1.017 178.774 177.584 0.288 0.000 1.163 357 A CA 0.060 52.270 52.037 0.289 0.000 0.646 357 A CB -0.639 18.427 19.000 0.111 0.000 0.806 357 A HN 0.272 nan 8.150 nan 0.000 0.448 358 F N 1.862 121.875 119.950 0.106 0.000 2.593 358 F HA 0.298 4.825 4.527 -0.000 0.000 0.393 358 F C 1.510 177.380 175.800 0.118 0.000 1.037 358 F CA -0.124 57.930 58.000 0.090 0.000 1.195 358 F CB -0.059 38.980 39.000 0.066 0.000 1.034 358 F HN 0.170 nan 8.300 nan 0.000 0.552 359 G N 6.699 115.280 108.800 -0.365 0.000 2.833 359 G HA2 -0.315 3.649 3.960 0.007 0.000 0.226 359 G HA3 -0.315 3.649 3.960 0.007 0.000 0.226 359 G C -0.840 174.010 174.900 -0.084 0.000 1.228 359 G CA 0.933 45.891 45.100 -0.236 0.000 0.779 359 G HN 0.661 nan 8.290 nan 0.000 0.651 360 P HA 0.084 nan 4.420 nan 0.000 0.242 360 P C 0.137 177.416 177.300 -0.034 0.000 1.197 360 P CA 0.544 63.594 63.100 -0.084 0.000 0.765 360 P CB -0.220 31.420 31.700 -0.101 0.000 0.936 361 T N 2.252 116.838 114.554 0.054 0.000 2.817 361 T HA 0.200 4.554 4.350 0.007 0.000 0.295 361 T C 0.739 175.422 174.700 -0.030 0.000 0.958 361 T CA 0.336 62.492 62.100 0.093 0.000 1.157 361 T CB 0.025 69.005 68.868 0.188 0.000 0.898 361 T HN 0.013 nan 8.240 nan 0.000 0.536 362 M N 3.320 122.896 119.600 -0.040 0.000 2.368 362 M HA 0.470 4.955 4.480 0.007 0.000 0.311 362 M C -0.113 176.184 176.300 -0.006 0.000 1.168 362 M CA -1.001 54.261 55.300 -0.065 0.000 1.044 362 M CB 0.789 33.383 32.600 -0.012 0.000 1.506 362 M HN 0.246 nan 8.290 nan 0.000 0.475 363 I N 1.357 121.936 120.570 0.015 0.000 2.331 363 I HA 0.519 4.693 4.170 0.007 0.000 0.292 363 I C 0.362 176.541 176.117 0.103 0.000 0.998 363 I CA -0.217 61.086 61.300 0.006 0.000 1.267 363 I CB 0.416 38.378 38.000 -0.062 0.000 1.386 363 I HN 0.776 nan 8.210 nan 0.000 0.476 364 G N 2.927 111.759 108.800 0.054 0.000 2.687 364 G HA2 0.407 4.371 3.960 0.007 0.000 0.301 364 G HA3 0.407 4.371 3.960 0.007 0.000 0.301 364 G C 0.452 175.414 174.900 0.105 0.000 1.416 364 G CA -0.159 45.038 45.100 0.162 0.000 1.005 364 G HN 0.615 nan 8.290 nan 0.000 0.509 365 S N 1.639 117.390 115.700 0.086 0.000 2.395 365 S HA 0.248 4.722 4.470 0.007 0.000 0.225 365 S C 2.011 176.609 174.600 -0.003 0.000 1.027 365 S CA 1.432 59.632 58.200 -0.000 0.000 0.965 365 S CB -0.153 63.050 63.200 0.004 0.000 0.812 365 S HN 2.464 nan 8.310 nan 0.000 0.482 366 A N 0.564 123.477 122.820 0.156 0.000 2.860 366 A HA -0.000 4.324 4.320 0.007 0.000 0.267 366 A C 0.853 178.476 177.584 0.066 0.000 1.421 366 A CA 0.757 52.949 52.037 0.258 0.000 0.831 366 A CB -2.536 16.576 19.000 0.187 0.000 1.041 366 A HN 1.486 nan 8.150 nan 0.000 0.623 367 G N -1.026 107.760 108.800 -0.024 0.000 2.432 367 G HA2 0.457 4.421 3.960 0.007 0.000 0.239 367 G HA3 0.457 4.421 3.960 0.007 0.000 0.239 367 G C -0.011 174.881 174.900 -0.014 0.000 1.291 367 G CA -0.019 45.024 45.100 -0.096 0.000 0.863 367 G HN 0.909 nan 8.290 nan 0.000 0.560 368 L N 4.470 125.669 121.223 -0.039 0.000 2.387 368 L HA 0.249 4.593 4.340 0.007 0.000 0.259 368 L C -1.177 175.632 176.870 -0.101 0.000 1.050 368 L CA -1.667 53.176 54.840 0.004 0.000 0.922 368 L CB 2.201 44.301 42.059 0.068 0.000 1.280 368 L HN 0.476 nan 8.230 nan 0.000 0.449 369 P HA -0.185 nan 4.420 nan 0.000 0.221 369 P C 0.764 177.771 177.300 -0.487 0.000 1.145 369 P CA 1.495 64.208 63.100 -0.646 0.000 0.795 369 P CB 0.188 31.105 31.700 -1.305 0.000 0.775 370 H N -1.562 117.465 119.070 -0.072 0.000 2.553 370 H HA 0.135 4.695 4.556 0.007 0.000 0.265 370 H C 0.226 175.499 175.328 -0.093 0.000 0.964 370 H CA -0.239 55.792 56.048 -0.027 0.000 1.156 370 H CB -0.471 29.256 29.762 -0.058 0.000 1.411 370 H HN 0.107 nan 8.280 nan 0.000 0.558 371 D N 0.945 121.364 120.400 0.032 0.000 2.458 371 D HA -0.064 4.580 4.640 0.007 0.000 0.243 371 D C 1.513 177.885 176.300 0.120 0.000 1.146 371 D CA 0.207 54.268 54.000 0.101 0.000 0.877 371 D CB 1.017 41.944 40.800 0.213 0.000 1.176 371 D HN 0.308 nan 8.370 nan 0.000 0.461 372 E N 2.219 122.517 120.200 0.163 0.000 2.051 372 E HA -0.156 4.198 4.350 0.007 0.000 0.192 372 E C -0.001 176.674 176.600 0.126 0.000 0.991 372 E CA 1.335 57.819 56.400 0.141 0.000 0.799 372 E CB 0.360 30.162 29.700 0.171 0.000 0.748 372 E HN 0.138 nan 8.360 nan 0.000 0.449 373 R N 1.144 121.733 120.500 0.148 0.000 2.494 373 R HA 0.331 4.675 4.340 0.007 0.000 0.284 373 R C -2.425 173.948 176.300 0.121 0.000 1.525 373 R CA -2.193 53.974 56.100 0.111 0.000 1.460 373 R CB 0.904 31.262 30.300 0.097 0.000 1.134 373 R HN 0.285 nan 8.270 nan 0.000 0.592 374 P HA 0.012 nan 4.420 nan 0.000 0.274 374 P C -0.334 177.026 177.300 0.101 0.000 1.246 374 P CA -0.283 62.888 63.100 0.119 0.000 0.795 374 P CB 0.813 32.585 31.700 0.120 0.000 1.006 375 H N 3.392 122.439 119.070 -0.037 0.000 2.803 375 H HA 0.085 4.645 4.556 0.007 0.000 0.330 375 H C -1.334 173.839 175.328 -0.258 0.000 1.057 375 H CA -1.725 54.242 56.048 -0.134 0.000 1.458 375 H CB 0.687 30.327 29.762 -0.203 0.000 1.470 375 H HN 0.240 nan 8.280 nan 0.000 0.560 376 P HA -0.192 nan 4.420 nan 0.000 0.226 376 P C 1.113 178.317 177.300 -0.161 0.000 1.146 376 P CA 1.005 63.976 63.100 -0.215 0.000 0.773 376 P CB 0.018 31.449 31.700 -0.449 0.000 0.772 377 R N 0.036 120.328 120.500 -0.347 0.000 2.159 377 R HA -0.118 4.226 4.340 0.007 0.000 0.237 377 R C 2.175 178.382 176.300 -0.156 0.000 1.131 377 R CA 1.013 56.833 56.100 -0.467 0.000 0.982 377 R CB -1.658 28.117 30.300 -0.875 0.000 0.868 377 R HN 0.153 nan 8.270 nan 0.000 0.453 378 L N -0.048 121.105 121.223 -0.115 0.000 2.127 378 L HA -0.078 4.266 4.340 0.007 0.000 0.211 378 L C 1.036 177.796 176.870 -0.185 0.000 1.089 378 L CA 1.629 56.385 54.840 -0.139 0.000 0.757 378 L CB -0.270 41.734 42.059 -0.093 0.000 0.899 378 L HN 0.245 nan 8.230 nan 0.000 0.434 379 W N -2.009 119.244 121.300 -0.078 0.000 2.975 379 W HA 0.426 5.090 4.660 0.006 0.000 0.316 379 W C 1.878 178.404 176.519 0.012 0.000 1.131 379 W CA 0.323 57.643 57.345 -0.043 0.000 1.624 379 W CB 0.201 29.630 29.460 -0.051 0.000 1.038 379 W HN 0.128 nan 8.180 nan 0.000 0.571 380 G N -1.193 107.751 108.800 0.239 0.000 3.342 380 G HA2 0.037 4.001 3.960 0.007 0.000 0.252 380 G HA3 0.037 4.001 3.960 0.007 0.000 0.252 380 G C 1.130 176.149 174.900 0.198 0.000 1.011 380 G CA 0.426 45.660 45.100 0.223 0.000 0.869 380 G HN -0.082 nan 8.290 nan 0.000 0.514 381 T N 1.432 116.076 114.554 0.150 0.000 2.570 381 T HA -0.208 4.146 4.350 0.007 0.000 0.266 381 T C 1.926 176.469 174.700 -0.262 0.000 1.071 381 T CA 1.719 63.793 62.100 -0.043 0.000 1.172 381 T CB -0.355 68.313 68.868 -0.333 0.000 0.864 381 T HN 0.228 nan 8.240 nan 0.000 0.421 382 F N 1.064 121.020 119.950 0.011 0.000 2.146 382 F HA 0.063 4.594 4.527 0.007 0.000 0.298 382 F C -0.514 175.206 175.800 -0.134 0.000 1.096 382 F CA 0.605 58.527 58.000 -0.130 0.000 1.275 382 F CB -1.745 37.134 39.000 -0.202 0.000 1.008 382 F HN 0.230 nan 8.300 nan 0.000 0.480 383 P HA -0.114 nan 4.420 nan 0.000 0.221 383 P C 1.420 178.755 177.300 0.058 0.000 1.150 383 P CA 1.258 64.393 63.100 0.058 0.000 0.800 383 P CB -0.089 31.673 31.700 0.105 0.000 0.787 384 R N -0.145 120.389 120.500 0.057 0.000 2.115 384 R HA -0.078 4.266 4.340 0.007 0.000 0.230 384 R C 1.668 178.073 176.300 0.176 0.000 1.111 384 R CA 1.199 57.335 56.100 0.059 0.000 0.976 384 R CB -0.595 29.683 30.300 -0.036 0.000 0.870 384 R HN 0.028 nan 8.270 nan 0.000 0.445 385 V N 0.895 120.900 119.914 0.151 0.000 2.407 385 V HA -0.176 3.948 4.120 0.007 0.000 0.245 385 V C 2.185 178.427 176.094 0.247 0.000 1.041 385 V CA 1.383 63.838 62.300 0.258 0.000 1.040 385 V CB -0.223 31.652 31.823 0.087 0.000 0.671 385 V HN 0.312 nan 8.190 nan 0.000 0.455 386 L N -0.098 121.176 121.223 0.084 0.000 2.109 386 L HA 0.066 4.410 4.340 0.007 0.000 0.207 386 L C 2.335 179.281 176.870 0.126 0.000 1.086 386 L CA 1.524 56.402 54.840 0.063 0.000 0.760 386 L CB -0.874 41.104 42.059 -0.134 0.000 0.910 386 L HN 0.449 nan 8.230 nan 0.000 0.437 387 G N -1.408 107.458 108.800 0.110 0.000 2.695 387 G HA2 -0.184 3.780 3.960 0.007 0.000 0.219 387 G HA3 -0.184 3.780 3.960 0.007 0.000 0.219 387 G C 1.233 176.182 174.900 0.082 0.000 1.295 387 G CA 0.501 45.667 45.100 0.110 0.000 0.882 387 G HN 0.253 nan 8.290 nan 0.000 0.570 388 H N -0.228 118.806 119.070 -0.060 0.000 2.289 388 H HA -0.160 4.402 4.556 0.010 0.000 0.294 388 H C 2.277 177.452 175.328 -0.255 0.000 1.095 388 H CA 2.299 58.221 56.048 -0.210 0.000 1.256 388 H CB -0.368 29.162 29.762 -0.385 0.000 1.359 388 H HN 0.383 nan 8.280 nan 0.000 0.487 389 Y N -0.808 119.416 120.300 -0.127 0.000 2.206 389 Y HA -0.060 4.494 4.550 0.005 0.000 0.292 389 Y C 3.246 179.022 175.900 -0.206 0.000 1.123 389 Y CA 1.322 59.272 58.100 -0.249 0.000 1.142 389 Y CB -0.815 37.560 38.460 -0.141 0.000 1.006 389 Y HN 0.269 nan 8.280 nan 0.000 0.518 390 S N -0.136 115.686 115.700 0.204 0.000 2.329 390 S HA -0.156 4.318 4.470 0.007 0.000 0.215 390 S C 2.299 176.967 174.600 0.113 0.000 1.031 390 S CA 1.262 59.609 58.200 0.246 0.000 0.985 390 S CB -0.228 63.219 63.200 0.412 0.000 0.917 390 S HN 0.380 nan 8.310 nan 0.000 0.441 391 R N 0.361 120.922 120.500 0.103 0.000 2.061 391 R HA -0.071 4.274 4.340 0.007 0.000 0.230 391 R C 1.711 178.017 176.300 0.010 0.000 1.140 391 R CA 2.013 58.155 56.100 0.071 0.000 0.940 391 R CB -0.530 29.828 30.300 0.096 0.000 0.839 391 R HN 0.408 nan 8.270 nan 0.000 0.429 392 D N 0.350 120.727 120.400 -0.038 0.000 2.123 392 D HA -0.096 4.549 4.640 0.007 0.000 0.200 392 D C 1.886 178.103 176.300 -0.137 0.000 0.976 392 D CA 1.064 55.014 54.000 -0.082 0.000 0.831 392 D CB 0.065 40.810 40.800 -0.091 0.000 0.974 392 D HN 0.297 nan 8.370 nan 0.000 0.469 393 L N -0.524 120.567 121.223 -0.219 0.000 2.554 393 L HA 0.220 4.564 4.340 0.007 0.000 0.225 393 L C 1.181 177.974 176.870 -0.129 0.000 1.104 393 L CA 0.254 54.974 54.840 -0.201 0.000 0.866 393 L CB 0.156 42.038 42.059 -0.294 0.000 1.047 393 L HN 0.069 nan 8.230 nan 0.000 0.468 394 G N 1.084 109.823 108.800 -0.102 0.000 2.273 394 G HA2 -0.314 3.650 3.960 0.007 0.000 0.280 394 G HA3 -0.314 3.650 3.960 0.007 0.000 0.280 394 G C 0.739 175.561 174.900 -0.130 0.000 1.047 394 G CA 0.525 45.585 45.100 -0.066 0.000 0.869 394 G HN 0.263 nan 8.290 nan 0.000 0.502 395 L N -0.841 120.202 121.223 -0.299 0.000 2.191 395 L HA 0.371 4.716 4.340 0.007 0.000 0.212 395 L C 0.925 177.483 176.870 -0.520 0.000 1.103 395 L CA 2.068 56.581 54.840 -0.545 0.000 0.769 395 L CB -0.301 41.190 42.059 -0.946 0.000 0.908 395 L HN 0.690 nan 8.230 nan 0.000 0.438 396 F N -3.782 116.194 119.950 0.044 0.000 2.719 396 F HA 0.593 5.124 4.527 0.007 0.000 0.309 396 F C -2.823 173.008 175.800 0.051 0.000 1.138 396 F CA -3.177 54.849 58.000 0.043 0.000 0.943 396 F CB -0.492 38.540 39.000 0.052 0.000 1.304 396 F HN -0.353 nan 8.300 nan 0.000 0.445 397 P HA 0.093 nan 4.420 nan 0.000 0.272 397 P C 0.812 178.238 177.300 0.209 0.000 1.230 397 P CA -0.281 62.937 63.100 0.196 0.000 0.788 397 P CB 1.405 33.175 31.700 0.116 0.000 0.949 398 L N 2.120 123.454 121.223 0.185 0.000 2.043 398 L HA -0.220 4.125 4.340 0.007 0.000 0.212 398 L C 2.380 179.348 176.870 0.162 0.000 1.075 398 L CA 2.055 57.012 54.840 0.195 0.000 0.752 398 L CB -1.312 40.877 42.059 0.216 0.000 0.891 398 L HN 0.494 nan 8.230 nan 0.000 0.432 399 E N -2.070 118.208 120.200 0.131 0.000 2.204 399 E HA -0.201 4.153 4.350 0.007 0.000 0.195 399 E C 1.749 178.416 176.600 0.112 0.000 0.990 399 E CA 1.797 58.268 56.400 0.118 0.000 0.821 399 E CB -0.906 28.836 29.700 0.070 0.000 0.750 399 E HN 0.498 nan 8.360 nan 0.000 0.477 400 T N 1.152 115.746 114.554 0.067 0.000 2.896 400 T HA 0.138 4.492 4.350 0.007 0.000 0.263 400 T C 2.009 176.684 174.700 -0.041 0.000 1.050 400 T CA 1.269 63.399 62.100 0.049 0.000 1.140 400 T CB -0.159 68.712 68.868 0.005 0.000 0.877 400 T HN 0.402 nan 8.240 nan 0.000 0.457 401 A N 1.063 123.761 122.820 -0.203 0.000 1.933 401 A HA -0.040 4.285 4.320 0.007 0.000 0.218 401 A C 2.521 180.021 177.584 -0.140 0.000 1.175 401 A CA 1.243 53.047 52.037 -0.389 0.000 0.628 401 A CB -0.959 17.937 19.000 -0.173 0.000 0.814 401 A HN 0.348 nan 8.150 nan 0.000 0.444 402 V N -2.061 117.869 119.914 0.027 0.000 2.358 402 V HA -0.237 3.887 4.120 0.007 0.000 0.246 402 V C 2.179 178.354 176.094 0.134 0.000 1.047 402 V CA 1.778 64.138 62.300 0.101 0.000 1.035 402 V CB -0.963 31.010 31.823 0.249 0.000 0.658 402 V HN 0.888 nan 8.190 nan 0.000 0.452 403 W N 1.625 122.915 121.300 -0.018 0.000 2.338 403 W HA -0.224 4.440 4.660 0.007 0.000 0.304 403 W C 2.262 178.766 176.519 -0.025 0.000 1.212 403 W CA 1.810 59.149 57.345 -0.010 0.000 1.264 403 W CB -0.186 29.255 29.460 -0.032 0.000 1.142 403 W HN 0.101 nan 8.180 nan 0.000 0.512 404 K N -0.154 120.151 120.400 -0.159 0.000 2.442 404 K HA -0.116 4.209 4.320 0.007 0.000 0.198 404 K C 1.531 177.991 176.600 -0.234 0.000 1.044 404 K CA 1.424 57.495 56.287 -0.362 0.000 0.948 404 K CB -0.370 31.980 32.500 -0.252 0.000 0.762 404 K HN 0.435 nan 8.250 nan 0.000 0.472 405 M N -2.606 116.914 119.600 -0.132 0.000 2.414 405 M HA 0.190 4.674 4.480 0.007 0.000 0.357 405 M C 0.602 176.918 176.300 0.027 0.000 1.059 405 M CA -0.209 55.081 55.300 -0.016 0.000 0.959 405 M CB 0.825 33.419 32.600 -0.009 0.000 1.522 405 M HN -0.077 nan 8.290 nan 0.000 0.551 406 T N -3.592 110.954 114.554 -0.013 0.000 3.384 406 T HA 0.373 4.727 4.350 0.007 0.000 0.151 406 T C 1.685 176.388 174.700 0.006 0.000 0.896 406 T CA 0.686 62.822 62.100 0.061 0.000 0.896 406 T CB -0.746 68.221 68.868 0.166 0.000 1.319 406 T HN 0.169 nan 8.240 nan 0.000 0.293 407 G N 1.665 110.479 108.800 0.023 0.000 2.440 407 G HA2 -0.095 3.870 3.960 0.007 0.000 0.218 407 G HA3 -0.095 3.870 3.960 0.007 0.000 0.218 407 G C 1.530 176.372 174.900 -0.097 0.000 1.154 407 G CA 1.354 46.493 45.100 0.065 0.000 0.767 407 G HN 0.500 nan 8.290 nan 0.000 0.552 408 L N 0.933 121.818 121.223 -0.563 0.000 2.017 408 L HA 0.002 4.346 4.340 0.007 0.000 0.208 408 L C 2.877 179.591 176.870 -0.261 0.000 1.073 408 L CA 2.785 57.242 54.840 -0.639 0.000 0.745 408 L CB -1.081 40.117 42.059 -1.436 0.000 0.894 408 L HN 0.188 nan 8.230 nan 0.000 0.432 409 T N 0.120 114.568 114.554 -0.176 0.000 2.746 409 T HA -0.132 4.222 4.350 0.007 0.000 0.267 409 T C 1.938 176.738 174.700 0.166 0.000 1.039 409 T CA 1.365 63.498 62.100 0.056 0.000 1.142 409 T CB -0.670 68.250 68.868 0.087 0.000 0.866 409 T HN 0.526 nan 8.240 nan 0.000 0.444 410 A N 1.501 124.380 122.820 0.099 0.000 1.940 410 A HA 0.116 4.440 4.320 0.007 0.000 0.219 410 A C 2.636 180.292 177.584 0.120 0.000 1.176 410 A CA 1.889 54.003 52.037 0.128 0.000 0.631 410 A CB -1.082 17.991 19.000 0.122 0.000 0.814 410 A HN 0.521 nan 8.150 nan 0.000 0.446 411 A N -0.455 122.412 122.820 0.079 0.000 1.898 411 A HA -0.095 4.229 4.320 0.007 0.000 0.216 411 A C 2.041 179.634 177.584 0.015 0.000 1.181 411 A CA 1.687 53.761 52.037 0.061 0.000 0.620 411 A CB -0.304 18.735 19.000 0.066 0.000 0.819 411 A HN 0.321 nan 8.150 nan 0.000 0.442 412 K N -0.834 119.539 120.400 -0.045 0.000 2.148 412 K HA -0.014 4.310 4.320 0.007 0.000 0.204 412 K C 1.040 177.455 176.600 -0.309 0.000 1.050 412 K CA 1.011 57.178 56.287 -0.199 0.000 0.942 412 K CB -0.495 31.812 32.500 -0.321 0.000 0.724 412 K HN 0.565 nan 8.250 nan 0.000 0.446 413 F N 0.098 120.051 119.950 0.005 0.000 2.727 413 F HA 0.217 4.748 4.527 0.007 0.000 0.302 413 F C 1.136 176.945 175.800 0.015 0.000 1.097 413 F CA 0.275 58.281 58.000 0.010 0.000 1.330 413 F CB 0.125 39.126 39.000 0.002 0.000 1.084 413 F HN 0.163 nan 8.300 nan 0.000 0.578 414 G N 1.530 110.412 108.800 0.136 0.000 2.246 414 G HA2 -0.297 3.667 3.960 0.007 0.000 0.273 414 G HA3 -0.297 3.667 3.960 0.007 0.000 0.273 414 G C -0.003 174.954 174.900 0.096 0.000 1.055 414 G CA -0.247 44.911 45.100 0.096 0.000 0.851 414 G HN 0.312 nan 8.290 nan 0.000 0.500 415 L N 0.664 121.952 121.223 0.108 0.000 2.356 415 L HA 0.566 4.910 4.340 0.007 0.000 0.282 415 L C 1.235 178.137 176.870 0.052 0.000 1.132 415 L CA -0.206 54.678 54.840 0.074 0.000 0.923 415 L CB 0.523 42.625 42.059 0.072 0.000 1.278 415 L HN 0.406 nan 8.230 nan 0.000 0.436 416 A N 2.874 125.712 122.820 0.030 0.000 2.511 416 A HA 0.159 4.483 4.320 0.007 0.000 0.242 416 A C 0.982 178.512 177.584 -0.090 0.000 1.069 416 A CA 0.030 52.049 52.037 -0.029 0.000 0.763 416 A CB -0.094 18.894 19.000 -0.021 0.000 1.001 416 A HN 0.908 nan 8.150 nan 0.000 0.498 417 E N -0.382 119.571 120.200 -0.412 0.000 2.791 417 E HA -0.218 4.136 4.350 0.007 0.000 0.271 417 E C -0.104 176.325 176.600 -0.286 0.000 1.044 417 E CA 1.202 57.053 56.400 -0.916 0.000 0.814 417 E CB -1.241 28.081 29.700 -0.629 0.000 1.400 417 E HN 0.749 nan 8.360 nan 0.000 0.423 418 R N -1.393 119.118 120.500 0.019 0.000 2.836 418 R HA 0.540 4.885 4.340 0.007 0.000 0.269 418 R C 0.849 177.313 176.300 0.274 0.000 1.010 418 R CA -0.329 55.903 56.100 0.221 0.000 0.930 418 R CB 1.676 32.059 30.300 0.138 0.000 1.218 418 R HN 0.140 nan 8.270 nan 0.000 0.473 419 G N 0.506 109.442 108.800 0.227 0.000 2.179 419 G HA2 -0.279 3.685 3.960 0.007 0.000 0.260 419 G HA3 -0.279 3.685 3.960 0.007 0.000 0.260 419 G C -0.202 174.816 174.900 0.196 0.000 0.977 419 G CA 0.105 45.319 45.100 0.189 0.000 0.641 419 G HN 0.435 nan 8.290 nan 0.000 0.533 420 Q N -1.068 118.862 119.800 0.216 0.000 2.345 420 Q HA 0.539 4.884 4.340 0.007 0.000 0.275 420 Q C -0.664 175.321 176.000 -0.025 0.000 1.063 420 Q CA -0.939 54.896 55.803 0.054 0.000 0.819 420 Q CB 2.979 31.644 28.738 -0.121 0.000 1.356 420 Q HN 0.167 nan 8.270 nan 0.000 0.418 421 V N 3.314 123.198 119.914 -0.049 0.000 2.267 421 V HA 0.177 4.302 4.120 0.007 0.000 0.254 421 V C -0.394 175.606 176.094 -0.156 0.000 1.144 421 V CA -0.007 62.256 62.300 -0.062 0.000 0.992 421 V CB -0.036 31.772 31.823 -0.024 0.000 1.199 421 V HN 0.554 nan 8.190 nan 0.000 0.493 422 Q N 4.212 123.859 119.800 -0.255 0.000 2.359 422 Q HA 0.443 4.788 4.340 0.007 0.000 0.274 422 Q C -2.833 173.059 176.000 -0.181 0.000 1.074 422 Q CA -2.248 53.362 55.803 -0.321 0.000 0.810 422 Q CB 2.812 31.131 28.738 -0.699 0.000 1.342 422 Q HN 0.254 nan 8.270 nan 0.000 0.427 423 P HA 0.044 nan 4.420 nan 0.000 0.264 423 P C 0.717 178.016 177.300 -0.002 0.000 1.193 423 P CA 1.241 64.294 63.100 -0.078 0.000 0.763 423 P CB 0.410 32.069 31.700 -0.068 0.000 0.810 424 G N 1.179 109.976 108.800 -0.005 0.000 2.258 424 G HA2 -0.248 3.716 3.960 0.007 0.000 0.233 424 G HA3 -0.248 3.716 3.960 0.007 0.000 0.233 424 G C -0.108 174.812 174.900 0.033 0.000 1.006 424 G CA -0.436 44.675 45.100 0.017 0.000 0.620 424 G HN 0.388 nan 8.290 nan 0.000 0.511 425 Y N 0.443 120.652 120.300 -0.153 0.000 2.298 425 Y HA 0.625 5.180 4.550 0.007 0.000 0.329 425 Y C 1.080 176.883 175.900 -0.161 0.000 1.293 425 Y CA -1.408 56.602 58.100 -0.150 0.000 1.388 425 Y CB 0.095 38.530 38.460 -0.040 0.000 1.309 425 Y HN 0.187 nan 8.280 nan 0.000 0.544 426 Y N -0.046 120.301 120.300 0.078 0.000 2.480 426 Y HA 0.259 4.813 4.550 0.007 0.000 0.338 426 Y C 0.670 176.605 175.900 0.058 0.000 1.220 426 Y CA -0.234 57.890 58.100 0.039 0.000 1.430 426 Y CB 0.403 38.869 38.460 0.011 0.000 1.311 426 Y HN 0.611 nan 8.280 nan 0.000 0.575 427 A N 3.082 126.027 122.820 0.209 0.000 3.077 427 A HA 0.156 4.480 4.320 0.007 0.000 0.255 427 A C -0.702 176.973 177.584 0.152 0.000 1.728 427 A CA -0.523 51.587 52.037 0.122 0.000 1.383 427 A CB -1.117 17.917 19.000 0.056 0.000 1.097 427 A HN 0.580 nan 8.150 nan 0.000 0.634 428 D N 1.125 121.613 120.400 0.148 0.000 2.317 428 D HA 0.595 5.240 4.640 0.007 0.000 0.234 428 D C -0.239 176.124 176.300 0.105 0.000 1.112 428 D CA 0.459 54.530 54.000 0.118 0.000 0.840 428 D CB 1.268 42.114 40.800 0.076 0.000 1.078 428 D HN 0.368 nan 8.370 nan 0.000 0.486 429 L N 0.929 122.237 121.223 0.142 0.000 2.415 429 L HA 0.640 4.984 4.340 0.007 0.000 0.256 429 L C -0.767 176.197 176.870 0.157 0.000 1.010 429 L CA -1.142 53.773 54.840 0.125 0.000 0.826 429 L CB 2.361 44.476 42.059 0.095 0.000 1.405 429 L HN -0.048 nan 8.230 nan 0.000 0.410 430 V N 1.299 121.266 119.914 0.088 0.000 2.709 430 V HA 0.525 4.649 4.120 0.007 0.000 0.308 430 V C -0.725 175.513 176.094 0.240 0.000 1.062 430 V CA -0.691 61.660 62.300 0.084 0.000 0.901 430 V CB 2.486 34.144 31.823 -0.276 0.000 1.003 430 V HN 0.404 nan 8.190 nan 0.000 0.425 431 V N 5.685 125.788 119.914 0.315 0.000 2.350 431 V HA 0.631 4.755 4.120 0.007 0.000 0.285 431 V C -0.599 175.712 176.094 0.362 0.000 1.014 431 V CA -0.397 62.065 62.300 0.270 0.000 0.831 431 V CB 0.940 32.948 31.823 0.309 0.000 1.000 431 V HN 0.788 nan 8.190 nan 0.000 0.433 432 F N 1.451 121.505 119.950 0.173 0.000 2.603 432 F HA 0.733 5.263 4.527 0.006 0.000 0.317 432 F C -0.610 175.280 175.800 0.151 0.000 1.066 432 F CA -1.303 56.812 58.000 0.192 0.000 0.941 432 F CB 1.542 40.679 39.000 0.228 0.000 1.291 432 F HN 0.349 nan 8.300 nan 0.000 0.472 433 D N 3.701 124.299 120.400 0.331 0.000 2.347 433 D HA 0.274 4.919 4.640 0.007 0.000 0.235 433 D C -1.650 174.838 176.300 0.312 0.000 1.149 433 D CA -2.459 51.652 54.000 0.185 0.000 0.850 433 D CB 1.793 42.697 40.800 0.174 0.000 1.061 433 D HN 0.338 nan 8.370 nan 0.000 0.487 434 P HA -0.144 nan 4.420 nan 0.000 0.218 434 P C 0.949 178.385 177.300 0.226 0.000 1.148 434 P CA 0.764 64.048 63.100 0.306 0.000 0.822 434 P CB 0.343 32.137 31.700 0.157 0.000 0.784 435 A N -0.004 122.909 122.820 0.155 0.000 2.016 435 A HA -0.042 4.282 4.320 0.007 0.000 0.217 435 A C 2.087 179.747 177.584 0.127 0.000 1.162 435 A CA 2.045 54.155 52.037 0.121 0.000 0.662 435 A CB -1.308 17.743 19.000 0.086 0.000 0.812 435 A HN 0.397 nan 8.150 nan 0.000 0.450 436 T N -4.254 110.392 114.554 0.154 0.000 2.975 436 T HA 0.265 4.619 4.350 0.007 0.000 0.257 436 T C 0.508 175.308 174.700 0.166 0.000 1.003 436 T CA 0.374 62.560 62.100 0.144 0.000 0.932 436 T CB -0.652 68.296 68.868 0.133 0.000 1.087 436 T HN 0.256 nan 8.240 nan 0.000 0.512 437 V N 2.544 122.589 119.914 0.219 0.000 2.584 437 V HA 0.503 4.627 4.120 0.007 0.000 0.303 437 V C 0.041 176.220 176.094 0.141 0.000 1.035 437 V CA 0.653 63.076 62.300 0.205 0.000 1.172 437 V CB -0.433 31.528 31.823 0.231 0.000 0.896 437 V HN 0.901 nan 8.190 nan 0.000 0.486 438 A N 5.387 128.280 122.820 0.123 0.000 2.599 438 A HA 0.574 4.898 4.320 0.007 0.000 0.294 438 A C -0.962 176.677 177.584 0.091 0.000 1.055 438 A CA -0.411 51.684 52.037 0.096 0.000 0.683 438 A CB 1.178 20.229 19.000 0.086 0.000 1.278 438 A HN 0.949 nan 8.150 nan 0.000 0.412 439 D N 1.181 121.622 120.400 0.070 0.000 2.308 439 D HA 0.356 5.000 4.640 0.007 0.000 0.251 439 D C 0.328 176.664 176.300 0.060 0.000 1.127 439 D CA 0.101 54.148 54.000 0.078 0.000 0.876 439 D CB 1.586 42.428 40.800 0.069 0.000 1.176 439 D HN 0.172 nan 8.370 nan 0.000 0.446 440 S N 0.792 116.536 115.700 0.075 0.000 2.497 440 S HA 0.221 4.695 4.470 0.007 0.000 0.218 440 S C 0.970 175.591 174.600 0.035 0.000 1.023 440 S CA -0.190 58.041 58.200 0.052 0.000 0.913 440 S CB 0.310 63.543 63.200 0.056 0.000 0.800 440 S HN 0.787 nan 8.310 nan 0.000 0.505 441 A N 2.790 125.636 122.820 0.043 0.000 2.488 441 A HA 0.499 4.824 4.320 0.007 0.000 0.249 441 A C 0.669 178.233 177.584 -0.035 0.000 1.083 441 A CA -0.016 52.023 52.037 0.003 0.000 0.768 441 A CB -0.063 18.962 19.000 0.042 0.000 1.017 441 A HN 0.375 nan 8.150 nan 0.000 0.496 442 T N -1.187 113.325 114.554 -0.069 0.000 2.907 442 T HA 0.593 4.947 4.350 0.007 0.000 0.290 442 T C 0.455 175.042 174.700 -0.188 0.000 1.066 442 T CA -0.458 61.570 62.100 -0.120 0.000 1.012 442 T CB 0.537 69.382 68.868 -0.038 0.000 1.184 442 T HN 0.241 nan 8.240 nan 0.000 0.522 443 F N 0.430 120.361 119.950 -0.032 0.000 2.216 443 F HA 0.057 4.588 4.527 0.006 0.000 0.300 443 F C 2.622 178.375 175.800 -0.078 0.000 1.085 443 F CA 1.677 59.644 58.000 -0.055 0.000 1.326 443 F CB -0.313 38.706 39.000 0.032 0.000 1.027 443 F HN 0.850 nan 8.300 nan 0.000 0.497 444 E N -0.471 119.736 120.200 0.011 0.000 2.072 444 E HA -0.161 4.194 4.350 0.007 0.000 0.191 444 E C -0.012 176.437 176.600 -0.251 0.000 0.985 444 E CA 1.102 57.381 56.400 -0.201 0.000 0.801 444 E CB -0.083 29.366 29.700 -0.418 0.000 0.750 444 E HN 0.509 nan 8.360 nan 0.000 0.452 445 H N -0.023 119.036 119.070 -0.019 0.000 2.448 445 H HA 0.182 4.742 4.556 0.007 0.000 0.237 445 H C -2.037 173.220 175.328 -0.118 0.000 1.391 445 H CA -1.839 54.169 56.048 -0.068 0.000 1.477 445 H CB 1.446 31.168 29.762 -0.067 0.000 1.520 445 H HN 0.185 nan 8.280 nan 0.000 0.502 446 P HA -0.104 nan 4.420 nan 0.000 0.239 446 P C 1.052 178.216 177.300 -0.227 0.000 1.184 446 P CA 0.943 63.982 63.100 -0.101 0.000 0.760 446 P CB 0.249 31.916 31.700 -0.055 0.000 0.884 447 T N -4.583 109.714 114.554 -0.429 0.000 3.182 447 T HA 0.181 4.535 4.350 0.007 0.000 0.277 447 T C 0.412 174.491 174.700 -1.034 0.000 1.013 447 T CA -0.397 61.017 62.100 -1.143 0.000 0.900 447 T CB -0.232 68.064 68.868 -0.954 0.000 1.098 447 T HN -0.160 nan 8.240 nan 0.000 0.543 448 E N 2.311 122.237 120.200 -0.457 0.000 2.360 448 E HA 0.307 4.661 4.350 0.007 0.000 0.269 448 E C -0.009 176.512 176.600 -0.131 0.000 1.022 448 E CA -0.242 56.005 56.400 -0.256 0.000 0.887 448 E CB 0.674 30.317 29.700 -0.095 0.000 0.990 448 E HN 0.250 nan 8.360 nan 0.000 0.426 449 R N 0.879 121.358 120.500 -0.036 0.000 2.491 449 R HA 0.260 4.604 4.340 0.007 0.000 0.283 449 R C 0.107 176.502 176.300 0.159 0.000 1.072 449 R CA -0.119 56.079 56.100 0.164 0.000 1.048 449 R CB 0.362 30.806 30.300 0.239 0.000 0.983 449 R HN 0.563 nan 8.270 nan 0.000 0.450 450 A N 1.939 124.869 122.820 0.183 0.000 2.466 450 A HA 0.505 4.829 4.320 0.007 0.000 0.238 450 A C 0.008 177.691 177.584 0.165 0.000 1.074 450 A CA 0.183 52.313 52.037 0.155 0.000 0.774 450 A CB 0.144 19.232 19.000 0.147 0.000 1.015 450 A HN 0.762 nan 8.150 nan 0.000 0.498 451 A N -0.044 122.866 122.820 0.150 0.000 2.282 451 A HA 0.661 4.985 4.320 0.007 0.000 0.319 451 A C 1.321 179.018 177.584 0.188 0.000 1.121 451 A CA 0.213 52.346 52.037 0.160 0.000 0.836 451 A CB 0.286 19.363 19.000 0.128 0.000 1.146 451 A HN 2.730 nan 8.150 nan 0.000 0.494 452 G N -0.487 108.439 108.800 0.210 0.000 2.179 452 G HA2 -0.175 3.789 3.960 0.007 0.000 0.260 452 G HA3 -0.175 3.789 3.960 0.007 0.000 0.260 452 G C 0.047 175.144 174.900 0.329 0.000 0.977 452 G CA 0.325 45.580 45.100 0.257 0.000 0.641 452 G HN 0.690 nan 8.290 nan 0.000 0.533 453 I N 2.083 122.839 120.570 0.311 0.000 2.287 453 I HA 0.229 4.404 4.170 0.007 0.000 0.290 453 I C 1.502 177.850 176.117 0.385 0.000 1.069 453 I CA -0.450 61.056 61.300 0.343 0.000 1.237 453 I CB 0.314 38.459 38.000 0.243 0.000 1.418 453 I HN 0.252 nan 8.210 nan 0.000 0.481 454 H N 5.834 125.071 119.070 0.278 0.000 2.284 454 H HA -0.005 4.556 4.556 0.007 0.000 0.304 454 H C 0.234 175.682 175.328 0.200 0.000 1.069 454 H CA 1.277 57.451 56.048 0.210 0.000 1.327 454 H CB 0.942 30.804 29.762 0.166 0.000 1.387 454 H HN 0.617 nan 8.280 nan 0.000 0.498 455 S N -0.417 115.447 115.700 0.274 0.000 2.570 455 S HA 0.562 5.036 4.470 0.007 0.000 0.270 455 S C -1.298 173.371 174.600 0.115 0.000 1.149 455 S CA -0.902 57.362 58.200 0.108 0.000 0.837 455 S CB 2.656 65.859 63.200 0.004 0.000 1.124 455 S HN 0.040 nan 8.310 nan 0.000 0.465 456 V N 1.757 121.613 119.914 -0.096 0.000 2.760 456 V HA 0.608 4.732 4.120 0.007 0.000 0.309 456 V C -1.833 174.086 176.094 -0.292 0.000 1.077 456 V CA -0.627 61.634 62.300 -0.065 0.000 0.910 456 V CB 1.431 33.246 31.823 -0.013 0.000 1.008 456 V HN 0.937 nan 8.190 nan 0.000 0.424 457 Y N 2.240 122.570 120.300 0.049 0.000 2.462 457 Y HA 0.770 5.324 4.550 0.007 0.000 0.346 457 Y C -0.222 175.707 175.900 0.047 0.000 0.976 457 Y CA -1.147 56.992 58.100 0.066 0.000 1.044 457 Y CB 2.287 40.815 38.460 0.114 0.000 1.230 457 Y HN 0.341 nan 8.280 nan 0.000 0.455 458 V N 2.737 122.762 119.914 0.184 0.000 2.483 458 V HA 0.266 4.390 4.120 0.007 0.000 0.297 458 V C -0.360 175.804 176.094 0.116 0.000 1.027 458 V CA -1.498 60.866 62.300 0.107 0.000 0.855 458 V CB 1.206 33.058 31.823 0.049 0.000 0.995 458 V HN 0.969 nan 8.190 nan 0.000 0.424 459 N N 3.972 122.735 118.700 0.105 0.000 2.721 459 N HA -0.241 4.503 4.740 0.007 0.000 0.249 459 N C 1.153 176.760 175.510 0.162 0.000 1.072 459 N CA 0.859 53.978 53.050 0.115 0.000 0.710 459 N CB -0.765 37.746 38.487 0.040 0.000 0.993 459 N HN 1.403 nan 8.380 nan 0.000 0.547 460 G N -1.911 107.014 108.800 0.207 0.000 2.253 460 G HA2 -0.237 3.728 3.960 0.007 0.000 0.251 460 G HA3 -0.237 3.728 3.960 0.007 0.000 0.251 460 G C 0.197 175.322 174.900 0.375 0.000 0.998 460 G CA 0.386 45.646 45.100 0.266 0.000 0.621 460 G HN 1.007 nan 8.290 nan 0.000 0.524 461 A N 0.360 123.340 122.820 0.268 0.000 2.290 461 A HA 0.902 5.226 4.320 0.007 0.000 0.310 461 A C 0.625 178.302 177.584 0.154 0.000 1.202 461 A CA 0.838 52.996 52.037 0.201 0.000 0.837 461 A CB 1.010 20.072 19.000 0.105 0.000 1.139 461 A HN 2.048 nan 8.150 nan 0.000 0.509 462 A N 1.766 124.602 122.820 0.027 0.000 2.454 462 A HA 0.437 4.761 4.320 0.007 0.000 0.260 462 A C 1.048 178.521 177.584 -0.184 0.000 1.106 462 A CA 0.315 52.153 52.037 -0.332 0.000 0.780 462 A CB -0.123 18.596 19.000 -0.468 0.000 1.044 462 A HN 1.945 nan 8.150 nan 0.000 0.498 463 V N -0.199 119.646 119.914 -0.115 0.000 3.570 463 V HA 0.321 4.446 4.120 0.007 0.000 0.257 463 V C 0.420 176.649 176.094 0.225 0.000 1.272 463 V CA -0.102 62.249 62.300 0.086 0.000 1.079 463 V CB -0.285 31.650 31.823 0.187 0.000 0.829 463 V HN 0.856 nan 8.190 nan 0.000 0.454 464 W N 1.504 122.718 121.300 -0.144 0.000 2.715 464 W HA 0.694 5.358 4.660 0.008 0.000 0.331 464 W C -1.491 174.904 176.519 -0.208 0.000 1.031 464 W CA -0.364 56.917 57.345 -0.106 0.000 1.237 464 W CB 1.910 31.330 29.460 -0.066 0.000 1.378 464 W HN 0.224 nan 8.180 nan 0.000 0.454 465 E N 4.105 123.964 120.200 -0.568 0.000 2.352 465 E HA 0.078 4.433 4.350 0.007 0.000 0.280 465 E C -0.773 175.465 176.600 -0.604 0.000 0.930 465 E CA -0.670 55.421 56.400 -0.515 0.000 0.765 465 E CB 1.981 31.460 29.700 -0.367 0.000 1.219 465 E HN 0.366 nan 8.360 nan 0.000 0.434 466 D N 2.913 123.024 120.400 -0.482 0.000 2.701 466 D HA -0.180 4.464 4.640 0.007 0.000 0.235 466 D C -0.425 175.601 176.300 -0.457 0.000 1.155 466 D CA 0.942 54.721 54.000 -0.369 0.000 0.649 466 D CB -0.532 40.105 40.800 -0.273 0.000 1.050 466 D HN 0.538 nan 8.370 nan 0.000 0.425 467 Q N -2.110 117.309 119.800 -0.635 0.000 2.453 467 Q HA -0.242 4.102 4.340 0.007 0.000 0.294 467 Q C -0.241 175.128 176.000 -1.052 0.000 1.295 467 Q CA 1.675 57.082 55.803 -0.660 0.000 0.853 467 Q CB -1.750 26.935 28.738 -0.088 0.000 1.193 467 Q HN 0.608 nan 8.270 nan 0.000 0.461 468 S N -0.849 113.878 115.700 -1.622 0.000 2.547 468 S HA 0.623 5.098 4.470 0.007 0.000 0.270 468 S C -1.288 172.945 174.600 -0.611 0.000 1.150 468 S CA -0.895 56.760 58.200 -0.909 0.000 0.850 468 S CB 1.094 64.051 63.200 -0.405 0.000 1.118 468 S HN 0.233 nan 8.310 nan 0.000 0.461 469 F N 3.879 123.727 119.950 -0.169 0.000 2.504 469 F HA 0.340 4.872 4.527 0.007 0.000 0.369 469 F C 1.778 177.513 175.800 -0.107 0.000 1.082 469 F CA 0.337 58.355 58.000 0.029 0.000 1.216 469 F CB 0.983 40.051 39.000 0.114 0.000 1.108 469 F HN 0.763 nan 8.300 nan 0.000 0.554 470 T N 1.727 115.939 114.554 -0.570 0.000 2.995 470 T HA 0.200 4.554 4.350 0.007 0.000 0.269 470 T C 1.517 175.695 174.700 -0.871 0.000 1.091 470 T CA 0.769 62.504 62.100 -0.608 0.000 1.128 470 T CB -0.534 68.096 68.868 -0.396 0.000 0.891 470 T HN 1.543 nan 8.240 nan 0.000 0.492 471 G N 0.450 108.156 108.800 -1.823 0.000 2.179 471 G HA2 -0.179 3.785 3.960 0.007 0.000 0.220 471 G HA3 -0.179 3.785 3.960 0.007 0.000 0.220 471 G C -0.067 174.342 174.900 -0.818 0.000 0.990 471 G CA -0.283 44.036 45.100 -1.302 0.000 0.646 471 G HN 0.568 nan 8.290 nan 0.000 0.517 472 Q N 1.009 120.424 119.800 -0.641 0.000 2.344 472 Q HA 0.322 4.667 4.340 0.007 0.000 0.253 472 Q C -0.423 175.535 176.000 -0.070 0.000 1.050 472 Q CA -0.018 55.652 55.803 -0.222 0.000 0.912 472 Q CB 0.256 28.926 28.738 -0.112 0.000 1.258 472 Q HN 0.655 nan 8.270 nan 0.000 0.443 473 H N 0.830 119.989 119.070 0.150 0.000 2.855 473 H HA 0.238 4.798 4.556 0.007 0.000 0.238 473 H C 0.805 176.175 175.328 0.071 0.000 1.847 473 H CA -0.061 56.076 56.048 0.148 0.000 1.368 473 H CB 0.393 30.215 29.762 0.101 0.000 1.758 473 H HN 0.684 nan 8.280 nan 0.000 0.546 474 A N 2.188 125.082 122.820 0.122 0.000 2.251 474 A HA 0.209 4.533 4.320 0.007 0.000 0.209 474 A C 1.679 179.283 177.584 0.034 0.000 1.187 474 A CA 0.262 52.343 52.037 0.073 0.000 0.823 474 A CB -0.050 18.992 19.000 0.070 0.000 0.846 474 A HN 0.621 nan 8.150 nan 0.000 0.486 475 G N -0.095 108.722 108.800 0.027 0.000 2.527 475 G HA2 0.472 4.436 3.960 0.007 0.000 0.248 475 G HA3 0.472 4.436 3.960 0.007 0.000 0.248 475 G C -0.076 174.793 174.900 -0.052 0.000 1.231 475 G CA -0.459 44.626 45.100 -0.025 0.000 0.838 475 G HN 0.479 nan 8.290 nan 0.000 0.570 476 R N -0.168 120.278 120.500 -0.090 0.000 2.795 476 R HA 0.426 4.770 4.340 0.007 0.000 0.275 476 R C -1.078 175.153 176.300 -0.115 0.000 0.981 476 R CA -0.937 55.100 56.100 -0.106 0.000 0.917 476 R CB 2.562 32.779 30.300 -0.138 0.000 1.202 476 R HN 0.336 nan 8.270 nan 0.000 0.469 477 V N 4.358 124.205 119.914 -0.111 0.000 2.455 477 V HA 0.184 4.309 4.120 0.007 0.000 0.273 477 V C 0.287 176.332 176.094 -0.083 0.000 1.045 477 V CA -0.103 62.135 62.300 -0.104 0.000 0.976 477 V CB 0.494 32.247 31.823 -0.117 0.000 0.993 477 V HN 0.455 nan 8.190 nan 0.000 0.475 478 L N 5.262 126.443 121.223 -0.072 0.000 2.399 478 L HA 0.542 4.887 4.340 0.007 0.000 0.265 478 L C 0.103 176.965 176.870 -0.013 0.000 1.089 478 L CA -0.413 54.393 54.840 -0.057 0.000 0.802 478 L CB 1.021 43.040 42.059 -0.067 0.000 1.180 478 L HN 0.616 nan 8.230 nan 0.000 0.454 479 N N -0.466 118.235 118.700 0.001 0.000 2.240 479 N HA 0.676 5.420 4.740 0.007 0.000 0.302 479 N C -0.472 175.062 175.510 0.040 0.000 1.106 479 N CA -0.688 52.379 53.050 0.027 0.000 0.778 479 N CB 1.725 40.229 38.487 0.028 0.000 1.431 479 N HN 0.622 nan 8.380 nan 0.000 0.479 480 R N 0.000 120.534 120.500 0.056 0.000 2.786 480 R HA 0.000 4.344 4.340 0.007 0.000 0.208 480 R CA 0.000 56.140 56.100 0.067 0.000 0.921 480 R CB 0.000 30.352 30.300 0.087 0.000 0.687 480 R HN 0.000 nan 8.270 nan 0.000 0.535