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 2fln_1_A DATA FIRST_RESID 26 DATA SEQUENCE SSRVIVHVDL DCFYAQVEMI SNPELKDKPL GVQQKYLVVT CNYEARKLGV DATA SEQUENCE KKLMNVRDAK EKCPQLVLVN GEDLTRYREM SYKVTELLEE FSPVVERLGF DATA SEQUENCE DENFVDLTEM VEKRLQQLQS DELSAVTVSG HVYNNQSINL LDVLHIRLLV DATA SEQUENCE GSQIAAEMRE AMYNQLGLTG CAGVASNKLL AKLVSGVFKP NQQTVLLPES DATA SEQUENCE CQHLIHSLNH IKEIPGIGYK TAKCLEALGI NSVRDLQTFS PKILEKELGI DATA SEQUENCE SVAQRIQKLS FGEDNSPVIL SGPPQSFSEE DSFKKCSSEV EAKNKIEELL DATA SEQUENCE ASLLNRVCQD GRKPHTVRLI IRRYXXXXXX GRESRQCPIP SHVIQXXXXX DATA SEQUENCE XXXVMTPMVD ILMKLFRNMX XXXXXXXXTL LSVCFCNLK 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 26 S HA 0.000 nan 4.470 nan 0.000 0.327 26 S C 0.000 174.604 174.600 0.006 0.000 1.055 26 S CA 0.000 58.202 58.200 0.004 0.000 1.107 26 S CB 0.000 63.200 63.200 0.000 0.000 0.593 27 S N 2.163 117.870 115.700 0.010 0.000 2.549 27 S HA 0.537 5.017 4.470 0.017 0.000 0.279 27 S C -0.074 174.537 174.600 0.018 0.000 1.321 27 S CA -0.081 58.128 58.200 0.015 0.000 1.054 27 S CB 0.293 63.506 63.200 0.021 0.000 0.899 27 S HN 0.448 nan 8.310 nan 0.000 0.497 28 R N 2.074 122.586 120.500 0.019 0.000 2.787 28 R HA 0.658 5.008 4.340 0.017 0.000 0.271 28 R C -1.324 174.994 176.300 0.029 0.000 0.993 28 R CA -0.889 55.224 56.100 0.021 0.000 0.993 28 R CB 1.585 31.894 30.300 0.015 0.000 1.155 28 R HN 0.377 nan 8.270 nan 0.000 0.486 29 V N 3.974 123.908 119.914 0.034 0.000 2.349 29 V HA 0.325 4.455 4.120 0.017 0.000 0.284 29 V C -0.501 175.622 176.094 0.048 0.000 1.014 29 V CA -0.653 61.671 62.300 0.039 0.000 0.826 29 V CB 1.301 33.147 31.823 0.038 0.000 1.009 29 V HN 0.512 nan 8.190 nan 0.000 0.431 30 I N 5.188 125.794 120.570 0.060 0.000 2.412 30 I HA 0.515 4.696 4.170 0.017 0.000 0.296 30 I C 0.019 176.203 176.117 0.112 0.000 0.987 30 I CA -0.588 60.769 61.300 0.095 0.000 1.180 30 I CB 1.771 39.839 38.000 0.112 0.000 1.340 30 I HN 0.343 nan 8.210 nan 0.000 0.455 31 V N 6.412 126.396 119.914 0.118 0.000 2.667 31 V HA 0.477 4.607 4.120 0.017 0.000 0.308 31 V C -0.847 175.323 176.094 0.127 0.000 1.048 31 V CA -0.426 61.925 62.300 0.085 0.000 0.928 31 V CB 2.093 33.912 31.823 -0.006 0.000 1.004 31 V HN 0.835 nan 8.190 nan 0.000 0.444 32 H N 4.887 123.911 119.070 -0.076 0.000 2.547 32 H HA 0.631 5.197 4.556 0.016 0.000 0.342 32 H C -1.775 173.394 175.328 -0.265 0.000 1.048 32 H CA -0.570 55.286 56.048 -0.321 0.000 1.204 32 H CB 1.988 31.543 29.762 -0.344 0.000 1.493 32 H HN 0.523 nan 8.280 nan 0.000 0.511 33 V N 5.537 125.011 119.914 -0.735 0.000 2.417 33 V HA 0.143 4.274 4.120 0.017 0.000 0.291 33 V C -0.251 175.435 176.094 -0.681 0.000 1.024 33 V CA -0.576 61.408 62.300 -0.527 0.000 0.861 33 V CB 1.574 33.189 31.823 -0.346 0.000 0.985 33 V HN 0.742 nan 8.190 nan 0.000 0.436 34 D N 4.372 124.482 120.400 -0.485 0.000 2.542 34 D HA 0.404 5.054 4.640 0.017 0.000 0.252 34 D C -0.965 175.212 176.300 -0.206 0.000 1.222 34 D CA -0.440 53.331 54.000 -0.381 0.000 0.895 34 D CB 1.768 42.407 40.800 -0.268 0.000 1.207 34 D HN 0.198 nan 8.370 nan 0.000 0.558 35 L N 3.629 124.731 121.223 -0.201 0.000 2.331 35 L HA 0.230 4.580 4.340 0.017 0.000 0.278 35 L C 0.501 177.374 176.870 0.004 0.000 1.106 35 L CA -0.100 54.682 54.840 -0.098 0.000 0.824 35 L CB 0.738 42.696 42.059 -0.168 0.000 1.142 35 L HN 0.306 nan 8.230 nan 0.000 0.443 36 D N 2.205 122.647 120.400 0.070 0.000 2.424 36 D HA 0.019 4.670 4.640 0.017 0.000 0.244 36 D C 0.835 177.249 176.300 0.190 0.000 1.134 36 D CA 0.066 54.154 54.000 0.147 0.000 0.881 36 D CB 0.549 41.441 40.800 0.153 0.000 1.191 36 D HN 0.897 nan 8.370 nan 0.000 0.445 37 C N 2.316 121.708 119.300 0.153 0.000 2.861 37 C HA -0.236 4.234 4.460 0.017 0.000 0.218 37 C C 1.711 176.770 174.990 0.116 0.000 1.428 37 C CA -0.894 58.170 59.018 0.077 0.000 2.251 37 C CB -2.880 24.904 27.740 0.074 0.000 1.469 37 C HN 0.649 nan 8.230 nan 0.000 0.408 38 F N 1.945 121.841 119.950 -0.089 0.000 2.043 38 F HA -0.137 4.400 4.527 0.016 0.000 0.297 38 F C 2.175 177.983 175.800 0.014 0.000 1.118 38 F CA 2.531 60.505 58.000 -0.045 0.000 1.202 38 F CB -0.749 38.203 39.000 -0.080 0.000 0.965 38 F HN 0.527 nan 8.300 nan 0.000 0.482 39 Y N 0.204 120.255 120.300 -0.415 0.000 2.224 39 Y HA -0.081 4.479 4.550 0.018 0.000 0.289 39 Y C 2.649 178.320 175.900 -0.382 0.000 1.146 39 Y CA 0.674 58.289 58.100 -0.808 0.000 1.182 39 Y CB -1.810 36.125 38.460 -0.874 0.000 0.983 39 Y HN 0.173 nan 8.280 nan 0.000 0.524 40 A N -0.106 122.698 122.820 -0.026 0.000 1.898 40 A HA -0.211 4.119 4.320 0.017 0.000 0.216 40 A C 2.212 179.808 177.584 0.021 0.000 1.181 40 A CA 1.434 53.479 52.037 0.013 0.000 0.620 40 A CB -0.718 18.296 19.000 0.025 0.000 0.819 40 A HN 0.483 nan 8.150 nan 0.000 0.442 41 Q N -0.475 119.343 119.800 0.031 0.000 2.112 41 Q HA -0.163 4.187 4.340 0.017 0.000 0.206 41 Q C 2.099 178.108 176.000 0.015 0.000 0.987 41 Q CA 1.878 57.717 55.803 0.059 0.000 0.858 41 Q CB -0.351 28.466 28.738 0.132 0.000 0.905 41 Q HN 0.524 nan 8.270 nan 0.000 0.420 42 V N 0.901 120.770 119.914 -0.075 0.000 2.548 42 V HA -0.168 3.962 4.120 0.017 0.000 0.249 42 V C 2.018 178.130 176.094 0.030 0.000 1.055 42 V CA 1.365 63.638 62.300 -0.045 0.000 1.065 42 V CB -0.308 31.469 31.823 -0.076 0.000 0.681 42 V HN 0.269 nan 8.190 nan 0.000 0.462 43 E N -0.301 119.930 120.200 0.050 0.000 2.072 43 E HA -0.104 4.256 4.350 0.017 0.000 0.190 43 E C 2.160 178.784 176.600 0.039 0.000 0.982 43 E CA 1.095 57.530 56.400 0.059 0.000 0.803 43 E CB -0.307 29.435 29.700 0.070 0.000 0.755 43 E HN 0.508 nan 8.360 nan 0.000 0.453 44 M N 0.178 119.803 119.600 0.041 0.000 2.202 44 M HA -0.124 4.366 4.480 0.017 0.000 0.262 44 M C 2.174 178.497 176.300 0.039 0.000 1.063 44 M CA 1.102 56.427 55.300 0.043 0.000 1.097 44 M CB -0.169 32.464 32.600 0.055 0.000 1.382 44 M HN 0.044 nan 8.290 nan 0.000 0.413 45 I N -1.307 119.285 120.570 0.037 0.000 2.353 45 I HA -0.217 3.964 4.170 0.017 0.000 0.248 45 I C 2.404 178.533 176.117 0.020 0.000 1.119 45 I CA 0.748 62.066 61.300 0.030 0.000 1.417 45 I CB -0.186 37.832 38.000 0.029 0.000 1.078 45 I HN 0.170 nan 8.210 nan 0.000 0.421 46 S N 0.348 116.059 115.700 0.018 0.000 2.336 46 S HA -0.190 4.290 4.470 0.017 0.000 0.214 46 S C 1.102 175.708 174.600 0.010 0.000 1.032 46 S CA 1.057 59.263 58.200 0.009 0.000 1.001 46 S CB -0.408 62.794 63.200 0.004 0.000 0.953 46 S HN 0.459 nan 8.310 nan 0.000 0.430 47 N N 1.774 120.483 118.700 0.014 0.000 2.719 47 N HA 0.207 4.958 4.740 0.017 0.000 0.243 47 N C -2.338 173.184 175.510 0.020 0.000 1.104 47 N CA -1.679 51.380 53.050 0.015 0.000 0.981 47 N CB 1.077 39.571 38.487 0.013 0.000 1.290 47 N HN -0.027 nan 8.380 nan 0.000 0.513 48 P HA -0.239 nan 4.420 nan 0.000 0.218 48 P C 0.308 177.622 177.300 0.024 0.000 1.152 48 P CA 1.380 64.494 63.100 0.023 0.000 0.857 48 P CB 0.165 31.876 31.700 0.020 0.000 0.787 49 E N -1.116 119.095 120.200 0.020 0.000 2.393 49 E HA -0.157 4.204 4.350 0.017 0.000 0.201 49 E C 1.420 178.033 176.600 0.021 0.000 1.025 49 E CA 0.693 57.104 56.400 0.019 0.000 0.856 49 E CB -0.534 29.176 29.700 0.015 0.000 0.771 49 E HN 0.355 nan 8.360 nan 0.000 0.526 50 L N -0.284 120.954 121.223 0.024 0.000 2.529 50 L HA 0.037 4.387 4.340 0.017 0.000 0.223 50 L C 2.624 179.514 176.870 0.034 0.000 1.113 50 L CA 0.589 55.446 54.840 0.028 0.000 0.861 50 L CB -0.477 41.599 42.059 0.028 0.000 1.012 50 L HN 0.008 nan 8.230 nan 0.000 0.461 51 K N 1.005 121.427 120.400 0.036 0.000 2.049 51 K HA -0.337 3.993 4.320 0.017 0.000 0.219 51 K C 1.840 178.465 176.600 0.042 0.000 1.056 51 K CA 2.775 59.087 56.287 0.043 0.000 0.946 51 K CB -2.104 30.422 32.500 0.043 0.000 0.723 51 K HN 0.552 nan 8.250 nan 0.000 0.453 52 D N 0.001 120.422 120.400 0.035 0.000 2.224 52 D HA 0.222 4.873 4.640 0.017 0.000 0.205 52 D C 1.487 177.806 176.300 0.033 0.000 0.965 52 D CA 1.547 55.566 54.000 0.033 0.000 0.852 52 D CB -0.562 40.254 40.800 0.026 0.000 0.947 52 D HN 0.923 nan 8.370 nan 0.000 0.494 53 K N 1.375 121.793 120.400 0.030 0.000 2.205 53 K HA 0.564 4.895 4.320 0.017 0.000 0.279 53 K C -2.826 173.791 176.600 0.028 0.000 1.027 53 K CA -1.691 54.612 56.287 0.026 0.000 0.932 53 K CB 0.312 32.825 32.500 0.022 0.000 1.032 53 K HN 0.210 nan 8.250 nan 0.000 0.466 54 P HA 0.248 nan 4.420 nan 0.000 0.271 54 P C -1.025 176.283 177.300 0.014 0.000 1.226 54 P CA -0.411 62.700 63.100 0.018 0.000 0.765 54 P CB 0.664 32.370 31.700 0.011 0.000 0.835 55 L N 3.818 125.049 121.223 0.013 0.000 2.356 55 L HA 0.761 5.112 4.340 0.017 0.000 0.277 55 L C -0.099 176.771 176.870 0.001 0.000 0.996 55 L CA -0.255 54.592 54.840 0.013 0.000 0.822 55 L CB 1.664 43.738 42.059 0.024 0.000 1.256 55 L HN 0.465 nan 8.230 nan 0.000 0.413 56 G N 4.211 113.013 108.800 0.002 0.000 2.415 56 G HA2 0.587 4.558 3.960 0.017 0.000 0.327 56 G HA3 0.587 4.558 3.960 0.017 0.000 0.327 56 G C -1.430 173.478 174.900 0.013 0.000 1.182 56 G CA -0.485 44.613 45.100 -0.003 0.000 0.924 56 G HN 0.466 nan 8.290 nan 0.000 0.470 57 V N 2.566 122.493 119.914 0.021 0.000 2.394 57 V HA 0.447 4.577 4.120 0.017 0.000 0.282 57 V C 0.191 176.308 176.094 0.038 0.000 1.031 57 V CA -0.586 61.744 62.300 0.051 0.000 0.881 57 V CB 1.022 32.903 31.823 0.097 0.000 0.982 57 V HN 0.927 nan 8.190 nan 0.000 0.451 58 Q N 4.530 124.349 119.800 0.032 0.000 2.345 58 Q HA 0.729 5.079 4.340 0.017 0.000 0.268 58 Q C -1.346 174.660 176.000 0.010 0.000 1.054 58 Q CA -0.934 54.875 55.803 0.009 0.000 0.835 58 Q CB 2.463 31.204 28.738 0.005 0.000 1.339 58 Q HN 0.721 nan 8.270 nan 0.000 0.447 59 Q N 2.093 121.878 119.800 -0.026 0.000 2.292 59 Q HA 0.338 4.689 4.340 0.017 0.000 0.270 59 Q C -0.802 175.153 176.000 -0.074 0.000 1.024 59 Q CA -1.003 54.781 55.803 -0.032 0.000 0.768 59 Q CB 1.883 30.603 28.738 -0.030 0.000 1.250 59 Q HN 0.679 nan 8.270 nan 0.000 0.447 60 K N 0.121 120.513 120.400 -0.013 0.000 1.751 60 K HA -0.302 4.028 4.320 0.017 0.000 0.134 60 K C 0.939 177.596 176.600 0.095 0.000 1.167 60 K CA 2.518 58.840 56.287 0.057 0.000 0.330 60 K CB -1.623 30.933 32.500 0.095 0.000 0.663 60 K HN 0.993 nan 8.250 nan 0.000 0.817 61 Y N 0.907 121.210 120.300 0.005 0.000 2.461 61 Y HA 0.583 5.144 4.550 0.018 0.000 0.277 61 Y C 0.779 176.678 175.900 -0.001 0.000 1.182 61 Y CA -0.611 57.491 58.100 0.003 0.000 1.276 61 Y CB 0.173 38.634 38.460 0.002 0.000 1.087 61 Y HN 0.165 nan 8.280 nan 0.000 0.519 62 L N 0.568 121.630 121.223 -0.268 0.000 2.319 62 L HA 0.578 4.928 4.340 0.017 0.000 0.267 62 L C -0.743 176.058 176.870 -0.115 0.000 1.011 62 L CA -1.576 53.119 54.840 -0.242 0.000 0.818 62 L CB 2.520 44.331 42.059 -0.414 0.000 1.316 62 L HN -0.215 nan 8.230 nan 0.000 0.432 63 V N 2.522 122.387 119.914 -0.082 0.000 2.288 63 V HA 0.058 4.189 4.120 0.017 0.000 0.266 63 V C 0.924 176.975 176.094 -0.071 0.000 1.048 63 V CA -0.373 61.895 62.300 -0.054 0.000 0.842 63 V CB 1.039 32.836 31.823 -0.043 0.000 1.064 63 V HN 0.685 nan 8.190 nan 0.000 0.472 64 V N 1.508 121.386 119.914 -0.059 0.000 2.719 64 V HA 0.168 4.298 4.120 0.017 0.000 0.252 64 V C 0.793 176.826 176.094 -0.102 0.000 1.065 64 V CA 1.473 63.726 62.300 -0.078 0.000 1.086 64 V CB 0.108 31.913 31.823 -0.029 0.000 0.700 64 V HN 0.757 nan 8.190 nan 0.000 0.467 65 T N -0.501 114.008 114.554 -0.075 0.000 2.786 65 T HA 0.620 4.981 4.350 0.017 0.000 0.316 65 T C -1.461 173.195 174.700 -0.074 0.000 1.503 65 T CA 0.051 62.088 62.100 -0.105 0.000 1.019 65 T CB 1.410 70.176 68.868 -0.169 0.000 1.415 65 T HN 1.095 nan 8.240 nan 0.000 0.496 66 C N 2.717 121.958 119.300 -0.098 0.000 3.285 66 C HA 0.873 5.344 4.460 0.017 0.000 0.325 66 C C -0.136 174.793 174.990 -0.100 0.000 1.304 66 C CA -1.212 57.759 59.018 -0.079 0.000 1.319 66 C CB 0.446 28.136 27.740 -0.083 0.000 1.640 66 C HN 1.087 nan 8.230 nan 0.000 0.477 67 N N 0.267 118.944 118.700 -0.037 0.000 2.317 67 N HA 0.175 4.926 4.740 0.017 0.000 0.245 67 N C 0.291 175.779 175.510 -0.037 0.000 1.294 67 N CA -0.125 52.937 53.050 0.021 0.000 0.924 67 N CB 0.115 38.653 38.487 0.084 0.000 1.186 67 N HN 0.764 nan 8.380 nan 0.000 0.495 68 Y N -0.510 119.793 120.300 0.006 0.000 2.224 68 Y HA -0.128 4.434 4.550 0.020 0.000 0.289 68 Y C 2.014 177.916 175.900 0.003 0.000 1.146 68 Y CA 1.687 59.789 58.100 0.004 0.000 1.182 68 Y CB -0.221 38.243 38.460 0.006 0.000 0.983 68 Y HN 0.602 nan 8.280 nan 0.000 0.524 69 E N 0.033 120.307 120.200 0.123 0.000 2.033 69 E HA -0.260 4.100 4.350 0.017 0.000 0.199 69 E C 2.436 179.049 176.600 0.023 0.000 1.011 69 E CA 1.519 57.961 56.400 0.069 0.000 0.815 69 E CB -0.801 28.934 29.700 0.059 0.000 0.755 69 E HN 0.397 nan 8.360 nan 0.000 0.451 70 A N 1.003 123.822 122.820 -0.001 0.000 1.892 70 A HA -0.300 4.030 4.320 0.017 0.000 0.218 70 A C 2.203 179.752 177.584 -0.058 0.000 1.188 70 A CA 2.136 54.156 52.037 -0.028 0.000 0.631 70 A CB -0.599 18.378 19.000 -0.038 0.000 0.822 70 A HN 0.151 nan 8.150 nan 0.000 0.447 71 R N -0.521 119.912 120.500 -0.112 0.000 2.075 71 R HA -0.148 4.203 4.340 0.017 0.000 0.232 71 R C 2.565 178.817 176.300 -0.081 0.000 1.126 71 R CA 2.030 58.036 56.100 -0.156 0.000 0.963 71 R CB -0.378 29.713 30.300 -0.349 0.000 0.858 71 R HN 0.507 nan 8.270 nan 0.000 0.435 72 K N 1.300 121.680 120.400 -0.034 0.000 1.991 72 K HA -0.091 4.239 4.320 0.017 0.000 0.212 72 K C 1.848 178.448 176.600 -0.000 0.000 1.049 72 K CA 1.816 58.109 56.287 0.010 0.000 0.932 72 K CB -1.422 31.108 32.500 0.050 0.000 0.717 72 K HN 0.364 nan 8.250 nan 0.000 0.441 73 L N -0.087 121.135 121.223 -0.001 0.000 2.869 73 L HA 0.277 4.627 4.340 0.017 0.000 0.259 73 L C 1.198 178.060 176.870 -0.013 0.000 1.162 73 L CA 0.343 55.181 54.840 -0.003 0.000 0.975 73 L CB -1.403 40.657 42.059 0.002 0.000 1.217 73 L HN 0.617 nan 8.230 nan 0.000 0.418 74 G N -0.050 108.737 108.800 -0.022 0.000 2.203 74 G HA2 -0.174 3.796 3.960 0.017 0.000 0.231 74 G HA3 -0.174 3.796 3.960 0.017 0.000 0.231 74 G C -0.235 174.641 174.900 -0.039 0.000 1.058 74 G CA -0.085 44.998 45.100 -0.028 0.000 0.781 74 G HN 0.186 nan 8.290 nan 0.000 0.496 75 V N -0.139 119.740 119.914 -0.058 0.000 2.864 75 V HA 0.851 4.981 4.120 0.017 0.000 0.314 75 V C 0.291 176.335 176.094 -0.084 0.000 1.073 75 V CA -0.984 61.278 62.300 -0.063 0.000 0.956 75 V CB 2.220 34.005 31.823 -0.062 0.000 1.023 75 V HN 0.370 nan 8.190 nan 0.000 0.435 76 K N 1.456 121.810 120.400 -0.077 0.000 2.435 76 K HA 0.638 4.968 4.320 0.017 0.000 0.251 76 K C -0.300 176.245 176.600 -0.092 0.000 0.954 76 K CA -0.656 55.577 56.287 -0.090 0.000 0.820 76 K CB 1.955 34.409 32.500 -0.076 0.000 1.292 76 K HN 0.782 nan 8.250 nan 0.000 0.436 77 K N 2.897 123.233 120.400 -0.107 0.000 2.440 77 K HA 0.046 4.376 4.320 0.017 0.000 0.275 77 K C 0.657 177.199 176.600 -0.098 0.000 1.082 77 K CA 0.854 57.074 56.287 -0.111 0.000 1.135 77 K CB -1.247 31.181 32.500 -0.121 0.000 0.864 77 K HN 0.737 nan 8.250 nan 0.000 0.479 78 L N -0.339 120.825 121.223 -0.098 0.000 3.610 78 L HA -0.174 4.176 4.340 0.017 0.000 0.425 78 L C 0.276 177.102 176.870 -0.073 0.000 1.254 78 L CA 0.132 54.913 54.840 -0.098 0.000 0.874 78 L CB -1.897 40.100 42.059 -0.103 0.000 1.932 78 L HN 0.851 nan 8.230 nan 0.000 0.790 79 M N -0.637 118.928 119.600 -0.059 0.000 2.573 79 M HA 0.344 4.834 4.480 0.017 0.000 0.309 79 M C 0.856 177.151 176.300 -0.009 0.000 1.202 79 M CA -0.476 54.807 55.300 -0.029 0.000 0.975 79 M CB 1.112 33.697 32.600 -0.026 0.000 1.600 79 M HN 0.156 nan 8.290 nan 0.000 0.479 80 N N 0.833 119.555 118.700 0.036 0.000 2.454 80 N HA 0.085 4.835 4.740 0.017 0.000 0.254 80 N C 0.710 176.254 175.510 0.057 0.000 1.228 80 N CA 0.046 53.150 53.050 0.089 0.000 0.900 80 N CB 1.520 40.069 38.487 0.103 0.000 1.089 80 N HN 0.669 nan 8.380 nan 0.000 0.449 81 V N 2.111 122.070 119.914 0.075 0.000 3.284 81 V HA -0.226 3.905 4.120 0.017 0.000 0.273 81 V C 1.921 178.041 176.094 0.043 0.000 1.178 81 V CA 2.485 64.815 62.300 0.050 0.000 1.177 81 V CB -1.052 30.808 31.823 0.062 0.000 0.793 81 V HN 0.816 nan 8.190 nan 0.000 0.536 82 R N -1.087 119.441 120.500 0.046 0.000 2.207 82 R HA 0.254 4.605 4.340 0.017 0.000 0.180 82 R C 2.196 178.509 176.300 0.021 0.000 1.445 82 R CA 1.679 57.797 56.100 0.030 0.000 1.217 82 R CB -1.325 28.992 30.300 0.029 0.000 1.135 82 R HN 0.843 nan 8.270 nan 0.000 0.481 83 D N 0.176 120.589 120.400 0.023 0.000 2.408 83 D HA 0.146 4.796 4.640 0.017 0.000 0.215 83 D C 1.530 177.833 176.300 0.006 0.000 0.982 83 D CA 2.360 56.368 54.000 0.013 0.000 0.962 83 D CB -0.334 40.476 40.800 0.016 0.000 0.872 83 D HN 0.926 nan 8.370 nan 0.000 0.490 84 A N -1.774 121.050 122.820 0.008 0.000 1.878 84 A HA 0.495 4.825 4.320 0.017 0.000 0.201 84 A C 2.335 179.919 177.584 0.001 0.000 1.684 84 A CA 1.495 53.532 52.037 -0.001 0.000 1.113 84 A CB -0.296 18.700 19.000 -0.007 0.000 1.131 84 A HN 0.703 nan 8.150 nan 0.000 0.472 85 K N -0.150 120.255 120.400 0.007 0.000 2.009 85 K HA -0.061 4.270 4.320 0.017 0.000 0.210 85 K C 2.043 178.647 176.600 0.006 0.000 1.049 85 K CA 2.591 58.883 56.287 0.008 0.000 0.929 85 K CB -1.695 30.813 32.500 0.013 0.000 0.714 85 K HN 0.841 nan 8.250 nan 0.000 0.440 86 E N 0.338 120.542 120.200 0.008 0.000 2.418 86 E HA 0.036 4.396 4.350 0.017 0.000 0.197 86 E C 2.184 178.786 176.600 0.003 0.000 1.026 86 E CA 1.586 57.990 56.400 0.006 0.000 0.862 86 E CB -1.067 28.637 29.700 0.007 0.000 0.799 86 E HN 0.798 nan 8.360 nan 0.000 0.518 87 K N -0.908 119.493 120.400 0.001 0.000 2.486 87 K HA 0.435 4.766 4.320 0.017 0.000 0.194 87 K C 0.546 177.145 176.600 -0.003 0.000 1.033 87 K CA 0.762 57.047 56.287 -0.002 0.000 1.004 87 K CB -0.924 31.573 32.500 -0.006 0.000 0.798 87 K HN 0.536 nan 8.250 nan 0.000 0.495 88 C N -0.467 118.833 119.300 -0.001 0.000 3.283 88 C HA 0.428 4.899 4.460 0.017 0.000 0.359 88 C C -2.598 172.393 174.990 0.002 0.000 1.160 88 C CA -1.439 57.578 59.018 -0.001 0.000 1.232 88 C CB 2.014 29.751 27.740 -0.004 0.000 1.571 88 C HN 0.376 nan 8.230 nan 0.000 0.522 89 P HA -0.100 nan 4.420 nan 0.000 0.276 89 P C 0.718 178.022 177.300 0.006 0.000 1.248 89 P CA 0.868 63.971 63.100 0.005 0.000 0.834 89 P CB 0.273 31.976 31.700 0.005 0.000 0.888 90 Q N 0.201 120.005 119.800 0.007 0.000 2.500 90 Q HA -0.313 4.038 4.340 0.017 0.000 0.225 90 Q C 0.447 176.452 176.000 0.008 0.000 2.307 90 Q CA 2.286 58.094 55.803 0.008 0.000 0.918 90 Q CB -1.210 27.534 28.738 0.009 0.000 0.784 90 Q HN 0.426 nan 8.270 nan 0.000 0.536 91 L N 1.058 122.285 121.223 0.007 0.000 3.581 91 L HA -0.177 4.173 4.340 0.017 0.000 0.539 91 L C -0.784 176.091 176.870 0.009 0.000 1.001 91 L CA 0.906 55.750 54.840 0.006 0.000 1.082 91 L CB -0.525 41.535 42.059 0.003 0.000 0.853 91 L HN 0.325 nan 8.230 nan 0.000 0.683 92 V N 6.710 126.630 119.914 0.011 0.000 2.637 92 V HA 0.164 4.295 4.120 0.017 0.000 0.296 92 V C 0.693 176.795 176.094 0.013 0.000 1.046 92 V CA -0.217 62.091 62.300 0.013 0.000 1.066 92 V CB 1.433 33.265 31.823 0.015 0.000 0.968 92 V HN 0.485 nan 8.190 nan 0.000 0.483 93 L N 5.050 126.282 121.223 0.015 0.000 2.346 93 L HA 0.724 5.074 4.340 0.017 0.000 0.276 93 L C -0.578 176.304 176.870 0.020 0.000 1.006 93 L CA -0.540 54.310 54.840 0.017 0.000 0.817 93 L CB 2.036 44.105 42.059 0.017 0.000 1.272 93 L HN 0.363 nan 8.230 nan 0.000 0.421 94 V N 2.133 122.062 119.914 0.026 0.000 2.789 94 V HA 0.346 4.477 4.120 0.017 0.000 0.311 94 V C -0.433 175.682 176.094 0.034 0.000 1.073 94 V CA -0.809 61.508 62.300 0.029 0.000 0.921 94 V CB 2.334 34.179 31.823 0.037 0.000 1.009 94 V HN 0.758 nan 8.190 nan 0.000 0.426 95 N N 2.469 121.184 118.700 0.026 0.000 2.444 95 N HA 0.266 5.016 4.740 0.017 0.000 0.271 95 N C 0.508 176.037 175.510 0.033 0.000 1.069 95 N CA 0.354 53.418 53.050 0.023 0.000 0.965 95 N CB 1.925 40.418 38.487 0.009 0.000 1.092 95 N HN 0.911 nan 8.380 nan 0.000 0.476 96 G N 2.690 111.524 108.800 0.056 0.000 3.774 96 G HA2 0.064 4.035 3.960 0.017 0.000 0.287 96 G HA3 0.064 4.035 3.960 0.017 0.000 0.287 96 G C 0.810 175.740 174.900 0.049 0.000 1.030 96 G CA -0.212 44.950 45.100 0.105 0.000 0.824 96 G HN 0.672 nan 8.290 nan 0.000 0.518 97 E N 0.292 120.494 120.200 0.004 0.000 2.110 97 E HA -0.099 4.262 4.350 0.017 0.000 0.193 97 E C 0.348 176.930 176.600 -0.029 0.000 0.988 97 E CA 0.627 57.022 56.400 -0.009 0.000 0.804 97 E CB 0.214 29.908 29.700 -0.011 0.000 0.745 97 E HN 0.287 nan 8.360 nan 0.000 0.458 98 D N 0.110 120.464 120.400 -0.077 0.000 2.347 98 D HA 0.071 4.722 4.640 0.017 0.000 0.235 98 D C 0.311 176.469 176.300 -0.235 0.000 1.149 98 D CA -0.032 53.901 54.000 -0.112 0.000 0.850 98 D CB 0.929 41.652 40.800 -0.129 0.000 1.061 98 D HN -0.002 nan 8.370 nan 0.000 0.487 99 L N 2.953 124.105 121.223 -0.118 0.000 2.592 99 L HA 0.020 4.370 4.340 0.017 0.000 0.227 99 L C 1.943 178.749 176.870 -0.106 0.000 1.127 99 L CA 0.051 54.856 54.840 -0.058 0.000 0.884 99 L CB -0.085 42.133 42.059 0.264 0.000 1.065 99 L HN 0.379 nan 8.230 nan 0.000 0.457 100 T N 0.317 114.778 114.554 -0.155 0.000 2.635 100 T HA -0.234 4.126 4.350 0.017 0.000 0.267 100 T C 1.990 176.618 174.700 -0.119 0.000 1.040 100 T CA 1.669 63.717 62.100 -0.087 0.000 1.156 100 T CB -0.153 68.658 68.868 -0.095 0.000 0.863 100 T HN 0.391 nan 8.240 nan 0.000 0.430 101 R N 0.043 120.374 120.500 -0.282 0.000 2.092 101 R HA -0.015 4.336 4.340 0.017 0.000 0.231 101 R C 2.382 178.639 176.300 -0.072 0.000 1.119 101 R CA 1.353 57.330 56.100 -0.206 0.000 0.970 101 R CB -0.556 29.594 30.300 -0.249 0.000 0.864 101 R HN 0.568 nan 8.270 nan 0.000 0.440 102 Y N 0.482 120.766 120.300 -0.027 0.000 2.145 102 Y HA -0.171 4.389 4.550 0.018 0.000 0.286 102 Y C 2.739 178.775 175.900 0.226 0.000 1.145 102 Y CA 0.688 58.829 58.100 0.069 0.000 1.148 102 Y CB -0.219 38.310 38.460 0.115 0.000 0.981 102 Y HN 0.012 nan 8.280 nan 0.000 0.507 103 R N 1.090 121.735 120.500 0.242 0.000 2.096 103 R HA -0.196 4.154 4.340 0.017 0.000 0.235 103 R C 1.768 178.100 176.300 0.054 0.000 1.127 103 R CA 1.890 57.904 56.100 -0.144 0.000 0.968 103 R CB -0.154 30.144 30.300 -0.003 0.000 0.861 103 R HN 0.437 nan 8.270 nan 0.000 0.440 104 E N -0.094 120.172 120.200 0.110 0.000 2.072 104 E HA -0.210 4.151 4.350 0.017 0.000 0.191 104 E C 1.878 178.574 176.600 0.161 0.000 0.985 104 E CA 1.465 57.944 56.400 0.132 0.000 0.801 104 E CB -0.086 29.657 29.700 0.071 0.000 0.750 104 E HN 0.204 nan 8.360 nan 0.000 0.452 105 M N 0.466 120.185 119.600 0.198 0.000 2.132 105 M HA -0.135 4.355 4.480 0.017 0.000 0.263 105 M C 2.270 178.737 176.300 0.278 0.000 1.065 105 M CA 1.333 56.793 55.300 0.266 0.000 1.122 105 M CB -0.260 32.545 32.600 0.341 0.000 1.365 105 M HN -0.045 nan 8.290 nan 0.000 0.411 106 S N -0.961 114.901 115.700 0.270 0.000 2.374 106 S HA -0.204 4.276 4.470 0.017 0.000 0.227 106 S C 1.876 176.327 174.600 -0.249 0.000 1.037 106 S CA 1.615 59.750 58.200 -0.108 0.000 1.024 106 S CB -0.495 62.505 63.200 -0.334 0.000 0.861 106 S HN 0.665 nan 8.310 nan 0.000 0.456 107 Y N 1.287 121.555 120.300 -0.053 0.000 2.314 107 Y HA 0.104 4.665 4.550 0.018 0.000 0.293 107 Y C 2.442 178.342 175.900 -0.000 0.000 1.129 107 Y CA 1.048 59.125 58.100 -0.038 0.000 1.201 107 Y CB -0.057 38.380 38.460 -0.038 0.000 0.999 107 Y HN 0.204 nan 8.280 nan 0.000 0.541 108 K N -0.400 120.088 120.400 0.146 0.000 2.063 108 K HA -0.164 4.166 4.320 0.017 0.000 0.208 108 K C 1.963 178.607 176.600 0.074 0.000 1.048 108 K CA 1.560 57.911 56.287 0.107 0.000 0.928 108 K CB -0.412 32.149 32.500 0.102 0.000 0.713 108 K HN 0.125 nan 8.250 nan 0.000 0.442 109 V N 1.014 120.950 119.914 0.036 0.000 2.307 109 V HA -0.244 3.886 4.120 0.017 0.000 0.245 109 V C 2.162 178.248 176.094 -0.014 0.000 1.045 109 V CA 2.111 64.408 62.300 -0.005 0.000 1.024 109 V CB -0.604 31.169 31.823 -0.083 0.000 0.651 109 V HN 0.394 nan 8.190 nan 0.000 0.449 110 T N -0.443 114.083 114.554 -0.047 0.000 2.708 110 T HA -0.221 4.139 4.350 0.017 0.000 0.266 110 T C 1.812 176.546 174.700 0.056 0.000 1.037 110 T CA 1.760 63.847 62.100 -0.022 0.000 1.146 110 T CB -0.275 68.561 68.868 -0.054 0.000 0.865 110 T HN 0.577 nan 8.240 nan 0.000 0.435 111 E N 0.646 120.899 120.200 0.089 0.000 2.085 111 E HA -0.101 4.259 4.350 0.017 0.000 0.194 111 E C 2.221 178.878 176.600 0.096 0.000 0.994 111 E CA 0.813 57.271 56.400 0.096 0.000 0.801 111 E CB -0.310 29.448 29.700 0.097 0.000 0.743 111 E HN 0.374 nan 8.360 nan 0.000 0.453 112 L N 0.878 122.161 121.223 0.101 0.000 2.042 112 L HA -0.217 4.134 4.340 0.017 0.000 0.210 112 L C 2.211 179.233 176.870 0.252 0.000 1.076 112 L CA 1.184 56.113 54.840 0.148 0.000 0.749 112 L CB -0.062 42.082 42.059 0.141 0.000 0.893 112 L HN 0.180 nan 8.230 nan 0.000 0.432 113 L N -0.732 120.600 121.223 0.182 0.000 2.156 113 L HA -0.168 4.182 4.340 0.017 0.000 0.208 113 L C 2.359 179.365 176.870 0.228 0.000 1.095 113 L CA 0.940 55.898 54.840 0.197 0.000 0.770 113 L CB -0.508 41.569 42.059 0.031 0.000 0.914 113 L HN 0.291 nan 8.230 nan 0.000 0.439 114 E N 0.130 120.419 120.200 0.148 0.000 2.204 114 E HA -0.266 4.094 4.350 0.017 0.000 0.195 114 E C 1.962 178.629 176.600 0.113 0.000 0.990 114 E CA 0.933 57.403 56.400 0.117 0.000 0.821 114 E CB 0.030 29.782 29.700 0.086 0.000 0.750 114 E HN 0.456 nan 8.360 nan 0.000 0.477 115 E N -0.137 120.131 120.200 0.113 0.000 2.152 115 E HA -0.153 4.207 4.350 0.017 0.000 0.192 115 E C 1.414 177.983 176.600 -0.052 0.000 0.983 115 E CA 0.589 56.991 56.400 0.004 0.000 0.818 115 E CB 0.062 29.724 29.700 -0.064 0.000 0.758 115 E HN 0.180 nan 8.360 nan 0.000 0.467 116 F N 0.358 120.317 119.950 0.014 0.000 2.084 116 F HA 0.001 4.540 4.527 0.019 0.000 0.296 116 F C 1.321 177.131 175.800 0.016 0.000 1.111 116 F CA 0.840 58.849 58.000 0.014 0.000 1.224 116 F CB 0.150 39.157 39.000 0.013 0.000 0.991 116 F HN -0.165 nan 8.300 nan 0.000 0.471 117 S N -0.565 115.265 115.700 0.216 0.000 2.603 117 S HA 0.291 4.772 4.470 0.017 0.000 0.274 117 S C -2.132 172.529 174.600 0.101 0.000 1.168 117 S CA -1.293 56.984 58.200 0.128 0.000 0.963 117 S CB 1.541 64.815 63.200 0.124 0.000 1.078 117 S HN -0.197 nan 8.310 nan 0.000 0.477 118 P HA -0.020 nan 4.420 nan 0.000 0.221 118 P C 0.253 177.590 177.300 0.062 0.000 1.145 118 P CA 0.738 63.874 63.100 0.061 0.000 0.795 118 P CB -0.051 31.675 31.700 0.044 0.000 0.775 119 V N 1.810 121.761 119.914 0.063 0.000 2.284 119 V HA 0.153 4.284 4.120 0.017 0.000 0.260 119 V C 0.232 176.369 176.094 0.072 0.000 1.084 119 V CA -0.281 62.054 62.300 0.059 0.000 0.894 119 V CB 0.988 32.840 31.823 0.048 0.000 1.119 119 V HN -0.206 nan 8.190 nan 0.000 0.484 120 V N 4.245 124.204 119.914 0.076 0.000 2.588 120 V HA 0.446 4.577 4.120 0.017 0.000 0.304 120 V C -0.145 176.006 176.094 0.094 0.000 1.042 120 V CA -0.707 61.645 62.300 0.087 0.000 0.877 120 V CB 2.227 34.092 31.823 0.070 0.000 0.996 120 V HN 0.858 nan 8.190 nan 0.000 0.425 121 E N 4.589 124.874 120.200 0.140 0.000 2.151 121 E HA 0.515 4.875 4.350 0.017 0.000 0.275 121 E C -0.503 176.196 176.600 0.165 0.000 0.936 121 E CA -0.772 55.720 56.400 0.153 0.000 0.777 121 E CB 1.118 30.918 29.700 0.165 0.000 1.108 121 E HN 0.601 nan 8.360 nan 0.000 0.401 122 R N 3.398 123.954 120.500 0.094 0.000 2.459 122 R HA 0.442 4.792 4.340 0.017 0.000 0.281 122 R C -0.336 176.029 176.300 0.108 0.000 1.050 122 R CA -0.561 55.568 56.100 0.049 0.000 1.055 122 R CB 0.939 31.220 30.300 -0.031 0.000 1.045 122 R HN 0.446 nan 8.270 nan 0.000 0.495 123 L N 2.730 124.007 121.223 0.090 0.000 2.485 123 L HA 0.338 4.688 4.340 0.017 0.000 0.260 123 L C 0.081 176.990 176.870 0.064 0.000 0.998 123 L CA 0.131 55.043 54.840 0.120 0.000 0.883 123 L CB 1.042 43.221 42.059 0.200 0.000 1.196 123 L HN 1.028 nan 8.230 nan 0.000 0.443 124 G N 2.556 111.408 108.800 0.087 0.000 2.598 124 G HA2 -0.331 3.640 3.960 0.017 0.000 0.244 124 G HA3 -0.331 3.640 3.960 0.017 0.000 0.244 124 G C 0.177 175.222 174.900 0.242 0.000 1.302 124 G CA 0.471 45.638 45.100 0.112 0.000 0.903 124 G HN 0.537 nan 8.290 nan 0.000 0.575 125 F N 0.726 120.634 119.950 -0.070 0.000 2.754 125 F HA 0.180 4.717 4.527 0.016 0.000 0.297 125 F C 2.096 177.683 175.800 -0.355 0.000 1.122 125 F CA 0.587 58.522 58.000 -0.108 0.000 1.400 125 F CB 0.406 39.505 39.000 0.164 0.000 1.117 125 F HN 0.479 nan 8.300 nan 0.000 0.587 126 D N -1.073 119.216 120.400 -0.184 0.000 2.501 126 D HA 0.094 4.744 4.640 0.017 0.000 0.224 126 D C -0.171 175.918 176.300 -0.351 0.000 1.202 126 D CA 0.093 53.819 54.000 -0.458 0.000 0.829 126 D CB -0.215 40.310 40.800 -0.459 0.000 1.023 126 D HN 0.152 nan 8.370 nan 0.000 0.499 127 E N -0.142 119.901 120.200 -0.262 0.000 2.340 127 E HA 0.486 4.846 4.350 0.017 0.000 0.273 127 E C -0.926 175.505 176.600 -0.283 0.000 0.891 127 E CA -0.921 55.289 56.400 -0.316 0.000 0.757 127 E CB 1.846 31.447 29.700 -0.164 0.000 1.231 127 E HN -0.002 nan 8.360 nan 0.000 0.439 128 N N 1.761 120.221 118.700 -0.400 0.000 2.308 128 N HA 0.360 5.111 4.740 0.017 0.000 0.283 128 N C -1.546 173.797 175.510 -0.278 0.000 1.105 128 N CA -0.454 52.463 53.050 -0.223 0.000 0.840 128 N CB 1.662 40.045 38.487 -0.173 0.000 1.633 128 N HN 0.222 nan 8.380 nan 0.000 0.476 129 F N 0.835 120.799 119.950 0.024 0.000 2.450 129 F HA 0.545 5.083 4.527 0.018 0.000 0.332 129 F C 0.313 176.120 175.800 0.013 0.000 1.093 129 F CA -0.697 57.332 58.000 0.049 0.000 1.003 129 F CB 1.672 40.710 39.000 0.064 0.000 1.151 129 F HN -0.031 nan 8.300 nan 0.000 0.474 130 V N 1.925 121.955 119.914 0.193 0.000 2.709 130 V HA 0.238 4.368 4.120 0.017 0.000 0.308 130 V C -0.922 175.239 176.094 0.111 0.000 1.062 130 V CA -0.947 61.423 62.300 0.116 0.000 0.901 130 V CB 1.998 33.852 31.823 0.052 0.000 1.003 130 V HN 0.619 nan 8.190 nan 0.000 0.425 131 D N 3.912 124.364 120.400 0.087 0.000 2.339 131 D HA 0.285 4.935 4.640 0.017 0.000 0.241 131 D C 0.529 176.865 176.300 0.061 0.000 1.183 131 D CA -0.068 53.973 54.000 0.067 0.000 0.859 131 D CB 1.471 42.300 40.800 0.048 0.000 1.067 131 D HN 0.496 nan 8.370 nan 0.000 0.484 132 L N 3.087 124.344 121.223 0.056 0.000 2.607 132 L HA 0.018 4.368 4.340 0.017 0.000 0.228 132 L C 2.125 179.024 176.870 0.048 0.000 1.123 132 L CA -0.066 54.806 54.840 0.054 0.000 0.890 132 L CB -0.055 42.031 42.059 0.045 0.000 1.103 132 L HN 0.333 nan 8.230 nan 0.000 0.468 133 T N 0.101 114.680 114.554 0.042 0.000 2.624 133 T HA -0.262 4.098 4.350 0.017 0.000 0.268 133 T C 1.688 176.409 174.700 0.035 0.000 1.041 133 T CA 1.815 63.936 62.100 0.035 0.000 1.159 133 T CB -0.098 68.787 68.868 0.029 0.000 0.863 133 T HN 0.421 nan 8.240 nan 0.000 0.434 134 E N 0.187 120.408 120.200 0.035 0.000 2.150 134 E HA -0.035 4.325 4.350 0.017 0.000 0.193 134 E C 2.139 178.762 176.600 0.038 0.000 0.985 134 E CA 0.746 57.166 56.400 0.033 0.000 0.814 134 E CB -0.171 29.548 29.700 0.031 0.000 0.752 134 E HN 0.466 nan 8.360 nan 0.000 0.466 135 M N 0.312 119.941 119.600 0.048 0.000 2.193 135 M HA -0.115 4.375 4.480 0.017 0.000 0.265 135 M C 2.120 178.450 176.300 0.050 0.000 1.071 135 M CA 0.951 56.284 55.300 0.055 0.000 1.140 135 M CB 0.210 32.857 32.600 0.079 0.000 1.369 135 M HN -0.031 nan 8.290 nan 0.000 0.423 136 V N 0.983 120.925 119.914 0.046 0.000 2.287 136 V HA -0.281 3.850 4.120 0.017 0.000 0.248 136 V C 2.423 178.537 176.094 0.034 0.000 1.053 136 V CA 1.985 64.309 62.300 0.040 0.000 1.027 136 V CB -0.809 31.037 31.823 0.038 0.000 0.646 136 V HN 0.501 nan 8.190 nan 0.000 0.447 137 E N -0.054 120.165 120.200 0.031 0.000 2.118 137 E HA -0.264 4.097 4.350 0.017 0.000 0.195 137 E C 2.294 178.909 176.600 0.024 0.000 0.992 137 E CA 1.539 57.954 56.400 0.026 0.000 0.804 137 E CB -0.194 29.520 29.700 0.023 0.000 0.741 137 E HN 0.611 nan 8.360 nan 0.000 0.458 138 K N 0.744 121.160 120.400 0.026 0.000 2.097 138 K HA -0.123 4.207 4.320 0.017 0.000 0.205 138 K C 2.146 178.761 176.600 0.023 0.000 1.050 138 K CA 0.910 57.211 56.287 0.023 0.000 0.938 138 K CB 0.083 32.597 32.500 0.024 0.000 0.718 138 K HN -0.046 nan 8.250 nan 0.000 0.442 139 R N 0.526 121.043 120.500 0.028 0.000 2.062 139 R HA -0.064 4.287 4.340 0.017 0.000 0.231 139 R C 2.482 178.796 176.300 0.023 0.000 1.136 139 R CA 1.445 57.562 56.100 0.028 0.000 0.948 139 R CB -0.513 29.807 30.300 0.034 0.000 0.845 139 R HN 0.229 nan 8.270 nan 0.000 0.430 140 L N 1.027 122.264 121.223 0.024 0.000 2.081 140 L HA -0.265 4.086 4.340 0.017 0.000 0.212 140 L C 2.554 179.434 176.870 0.017 0.000 1.080 140 L CA 1.516 56.369 54.840 0.021 0.000 0.754 140 L CB -0.409 41.663 42.059 0.022 0.000 0.893 140 L HN 0.332 nan 8.230 nan 0.000 0.433 141 Q N -0.993 118.816 119.800 0.016 0.000 2.167 141 Q HA -0.240 4.111 4.340 0.017 0.000 0.202 141 Q C 2.233 178.240 176.000 0.012 0.000 0.970 141 Q CA 1.111 56.922 55.803 0.013 0.000 0.855 141 Q CB 0.030 28.775 28.738 0.013 0.000 0.911 141 Q HN 0.374 nan 8.270 nan 0.000 0.438 142 Q N 0.170 119.977 119.800 0.013 0.000 2.172 142 Q HA 0.054 4.404 4.340 0.017 0.000 0.200 142 Q C 0.199 176.205 176.000 0.011 0.000 0.964 142 Q CA 0.618 56.428 55.803 0.011 0.000 0.855 142 Q CB 0.131 28.876 28.738 0.013 0.000 0.918 142 Q HN 0.294 nan 8.270 nan 0.000 0.444 143 L N 1.762 122.992 121.223 0.012 0.000 2.462 143 L HA 0.046 4.396 4.340 0.017 0.000 0.272 143 L C 0.641 177.517 176.870 0.010 0.000 1.166 143 L CA -0.051 54.796 54.840 0.011 0.000 0.880 143 L CB 0.352 42.419 42.059 0.013 0.000 1.142 143 L HN 0.228 nan 8.230 nan 0.000 0.473 144 Q N 1.165 120.970 119.800 0.008 0.000 2.417 144 Q HA -0.001 4.349 4.340 0.017 0.000 0.241 144 Q C 1.417 177.421 176.000 0.007 0.000 1.008 144 Q CA 0.371 56.178 55.803 0.007 0.000 0.901 144 Q CB 1.213 29.954 28.738 0.005 0.000 1.259 144 Q HN 0.839 nan 8.270 nan 0.000 0.489 145 S N 0.861 116.564 115.700 0.006 0.000 2.465 145 S HA -0.386 4.095 4.470 0.017 0.000 0.263 145 S C 1.330 175.933 174.600 0.005 0.000 1.135 145 S CA 2.326 60.529 58.200 0.005 0.000 1.118 145 S CB -1.266 61.936 63.200 0.004 0.000 0.994 145 S HN 0.869 nan 8.310 nan 0.000 0.455 146 D N 1.989 122.392 120.400 0.005 0.000 2.369 146 D HA 0.100 4.750 4.640 0.017 0.000 0.231 146 D C 1.901 178.205 176.300 0.005 0.000 0.967 146 D CA 0.637 54.640 54.000 0.005 0.000 0.905 146 D CB -0.857 39.945 40.800 0.003 0.000 1.044 146 D HN 0.865 nan 8.370 nan 0.000 0.487 147 E N 0.318 120.521 120.200 0.006 0.000 2.331 147 E HA -0.092 4.269 4.350 0.017 0.000 0.199 147 E C 2.103 178.708 176.600 0.009 0.000 1.008 147 E CA 0.719 57.123 56.400 0.007 0.000 0.843 147 E CB -0.367 29.337 29.700 0.007 0.000 0.761 147 E HN 0.525 nan 8.360 nan 0.000 0.507 148 L N 1.605 122.834 121.223 0.010 0.000 2.189 148 L HA -0.180 4.170 4.340 0.017 0.000 0.214 148 L C 1.847 178.725 176.870 0.013 0.000 1.097 148 L CA 1.522 56.369 54.840 0.012 0.000 0.764 148 L CB -0.114 41.952 42.059 0.012 0.000 0.900 148 L HN 0.027 nan 8.230 nan 0.000 0.436 149 S N -0.650 115.056 115.700 0.010 0.000 2.562 149 S HA 0.154 4.634 4.470 0.017 0.000 0.221 149 S C 1.588 176.194 174.600 0.009 0.000 0.975 149 S CA 0.536 58.742 58.200 0.010 0.000 0.918 149 S CB 0.080 63.284 63.200 0.007 0.000 0.772 149 S HN 0.566 nan 8.310 nan 0.000 0.531 150 A N 0.837 123.662 122.820 0.008 0.000 2.348 150 A HA 0.444 4.774 4.320 0.017 0.000 0.224 150 A C 0.692 178.279 177.584 0.006 0.000 1.227 150 A CA -0.239 51.801 52.037 0.005 0.000 0.885 150 A CB 0.044 19.047 19.000 0.004 0.000 0.933 150 A HN 0.249 nan 8.150 nan 0.000 0.506 151 V N 2.715 122.635 119.914 0.010 0.000 2.557 151 V HA 0.220 4.350 4.120 0.017 0.000 0.301 151 V C 0.889 176.988 176.094 0.009 0.000 1.026 151 V CA 1.178 63.485 62.300 0.012 0.000 1.137 151 V CB 0.250 32.084 31.823 0.019 0.000 0.917 151 V HN 0.671 nan 8.190 nan 0.000 0.484 152 T N 2.466 117.021 114.554 0.002 0.000 2.907 152 T HA 0.658 5.018 4.350 0.017 0.000 0.290 152 T C -0.402 174.291 174.700 -0.012 0.000 1.066 152 T CA -0.769 61.327 62.100 -0.006 0.000 1.012 152 T CB 1.784 70.643 68.868 -0.016 0.000 1.184 152 T HN 0.395 nan 8.240 nan 0.000 0.522 153 V N 0.892 120.792 119.914 -0.024 0.000 2.785 153 V HA 0.648 4.779 4.120 0.017 0.000 0.300 153 V C 0.030 176.095 176.094 -0.049 0.000 1.062 153 V CA -0.190 62.090 62.300 -0.033 0.000 1.029 153 V CB 1.632 33.431 31.823 -0.041 0.000 1.024 153 V HN 1.129 nan 8.190 nan 0.000 0.477 154 S N 4.009 119.679 115.700 -0.050 0.000 2.596 154 S HA 0.760 5.240 4.470 0.017 0.000 0.318 154 S C -0.083 174.466 174.600 -0.085 0.000 1.097 154 S CA 0.500 58.660 58.200 -0.066 0.000 1.080 154 S CB 0.309 63.482 63.200 -0.046 0.000 0.991 154 S HN 2.217 nan 8.310 nan 0.000 0.471 155 G N 4.173 112.884 108.800 -0.148 0.000 2.545 155 G HA2 -0.120 3.850 3.960 0.017 0.000 0.216 155 G HA3 -0.120 3.850 3.960 0.017 0.000 0.216 155 G C -0.803 173.925 174.900 -0.285 0.000 1.314 155 G CA -0.704 44.267 45.100 -0.216 0.000 0.906 155 G HN 0.883 nan 8.290 nan 0.000 0.563 156 H N -1.035 117.912 119.070 -0.205 0.000 2.547 156 H HA 0.498 5.054 4.556 -0.001 0.000 0.362 156 H C -0.107 175.176 175.328 -0.075 0.000 1.181 156 H CA 0.243 56.147 56.048 -0.241 0.000 1.376 156 H CB 1.523 30.979 29.762 -0.511 0.000 1.488 156 H HN 0.380 nan 8.280 nan 0.000 0.583 157 V N 3.098 123.065 119.914 0.088 0.000 2.384 157 V HA -0.003 4.127 4.120 0.017 0.000 0.287 157 V C -0.268 175.914 176.094 0.147 0.000 1.020 157 V CA -0.749 61.602 62.300 0.087 0.000 0.850 157 V CB 0.877 32.708 31.823 0.014 0.000 0.987 157 V HN 0.607 nan 8.190 nan 0.000 0.436 158 Y N 5.822 126.180 120.300 0.095 0.000 2.811 158 Y HA -0.024 4.541 4.550 0.024 0.000 0.334 158 Y C 1.377 177.295 175.900 0.030 0.000 1.247 158 Y CA 1.464 59.628 58.100 0.106 0.000 1.526 158 Y CB 0.137 38.637 38.460 0.066 0.000 1.284 158 Y HN 0.913 nan 8.280 nan 0.000 0.586 159 N N 2.739 120.880 118.700 -0.933 0.000 2.778 159 N HA -0.360 4.391 4.740 0.017 0.000 0.249 159 N C 0.097 175.429 175.510 -0.296 0.000 1.069 159 N CA 1.537 54.148 53.050 -0.733 0.000 0.831 159 N CB -1.520 36.510 38.487 -0.763 0.000 1.142 159 N HN 0.848 nan 8.380 nan 0.000 0.573 160 N N -0.731 117.883 118.700 -0.144 0.000 2.714 160 N HA -0.272 4.478 4.740 0.017 0.000 0.250 160 N C -0.564 174.912 175.510 -0.056 0.000 1.117 160 N CA 1.428 54.439 53.050 -0.064 0.000 0.719 160 N CB -0.888 37.564 38.487 -0.059 0.000 1.081 160 N HN 0.759 nan 8.380 nan 0.000 0.557 161 Q N 0.020 119.788 119.800 -0.052 0.000 2.373 161 Q HA 0.271 4.621 4.340 0.017 0.000 0.255 161 Q C -0.523 175.471 176.000 -0.010 0.000 0.980 161 Q CA -0.034 55.753 55.803 -0.028 0.000 0.882 161 Q CB 0.544 29.276 28.738 -0.010 0.000 1.249 161 Q HN 0.393 nan 8.270 nan 0.000 0.438 162 S N 2.962 118.671 115.700 0.014 0.000 2.564 162 S HA 0.259 4.739 4.470 0.017 0.000 0.278 162 S C 0.123 174.766 174.600 0.071 0.000 1.333 162 S CA -0.406 57.813 58.200 0.033 0.000 1.048 162 S CB 0.356 63.581 63.200 0.042 0.000 0.900 162 S HN 0.446 nan 8.310 nan 0.000 0.505 163 I N 3.103 123.715 120.570 0.070 0.000 2.532 163 I HA 0.258 4.438 4.170 0.017 0.000 0.292 163 I C 0.460 176.705 176.117 0.213 0.000 1.014 163 I CA -0.359 61.026 61.300 0.143 0.000 1.340 163 I CB 0.711 38.751 38.000 0.067 0.000 1.422 163 I HN 0.461 nan 8.210 nan 0.000 0.528 164 N N 5.692 124.610 118.700 0.363 0.000 2.531 164 N HA 0.275 5.026 4.740 0.017 0.000 0.268 164 N C 0.177 175.729 175.510 0.070 0.000 1.023 164 N CA -0.373 52.741 53.050 0.107 0.000 0.896 164 N CB 1.409 39.862 38.487 -0.056 0.000 1.233 164 N HN 0.574 nan 8.380 nan 0.000 0.512 165 L N 2.811 124.067 121.223 0.054 0.000 2.549 165 L HA 0.003 4.353 4.340 0.017 0.000 0.229 165 L C 1.466 178.345 176.870 0.014 0.000 1.158 165 L CA 0.810 55.675 54.840 0.042 0.000 0.842 165 L CB 0.034 42.111 42.059 0.030 0.000 0.952 165 L HN 0.512 nan 8.230 nan 0.000 0.452 166 L N -1.602 119.612 121.223 -0.016 0.000 2.640 166 L HA 0.142 4.493 4.340 0.017 0.000 0.230 166 L C 0.524 177.361 176.870 -0.055 0.000 1.123 166 L CA -0.118 54.705 54.840 -0.028 0.000 0.900 166 L CB 0.041 42.083 42.059 -0.028 0.000 1.146 166 L HN 0.076 nan 8.230 nan 0.000 0.484 167 D N 0.707 121.045 120.400 -0.103 0.000 2.325 167 D HA 0.012 4.662 4.640 0.017 0.000 0.251 167 D C 0.910 177.182 176.300 -0.046 0.000 1.196 167 D CA 0.166 54.067 54.000 -0.165 0.000 0.866 167 D CB 2.448 42.933 40.800 -0.525 0.000 1.101 167 D HN -0.169 nan 8.370 nan 0.000 0.476 168 V N 5.373 125.273 119.914 -0.023 0.000 2.515 168 V HA -0.188 3.942 4.120 0.017 0.000 0.250 168 V C 2.096 178.221 176.094 0.052 0.000 1.058 168 V CA 1.483 63.793 62.300 0.017 0.000 1.064 168 V CB -0.196 31.632 31.823 0.009 0.000 0.675 168 V HN 0.592 nan 8.190 nan 0.000 0.461 169 L N -0.830 120.432 121.223 0.064 0.000 2.109 169 L HA -0.093 4.257 4.340 0.017 0.000 0.207 169 L C 2.588 179.581 176.870 0.205 0.000 1.086 169 L CA 1.395 56.305 54.840 0.116 0.000 0.760 169 L CB -0.850 41.281 42.059 0.121 0.000 0.910 169 L HN 0.367 nan 8.230 nan 0.000 0.437 170 H N -0.141 118.941 119.070 0.020 0.000 2.353 170 H HA -0.107 4.460 4.556 0.019 0.000 0.300 170 H C 2.247 177.586 175.328 0.019 0.000 1.090 170 H CA 1.210 57.270 56.048 0.021 0.000 1.327 170 H CB -0.122 29.652 29.762 0.019 0.000 1.383 170 H HN 0.093 nan 8.280 nan 0.000 0.508 171 I N 0.565 121.226 120.570 0.152 0.000 2.286 171 I HA -0.213 3.967 4.170 0.017 0.000 0.248 171 I C 2.251 178.404 176.117 0.059 0.000 1.115 171 I CA 1.145 62.495 61.300 0.082 0.000 1.392 171 I CB -0.670 37.364 38.000 0.057 0.000 1.065 171 I HN 0.242 nan 8.210 nan 0.000 0.418 172 R N 0.311 120.849 120.500 0.063 0.000 2.062 172 R HA -0.065 4.286 4.340 0.017 0.000 0.229 172 R C 2.376 178.701 176.300 0.042 0.000 1.128 172 R CA 0.991 57.120 56.100 0.048 0.000 0.960 172 R CB -0.289 30.040 30.300 0.048 0.000 0.855 172 R HN 0.290 nan 8.270 nan 0.000 0.432 173 L N 0.759 122.009 121.223 0.045 0.000 2.131 173 L HA -0.167 4.184 4.340 0.017 0.000 0.210 173 L C 2.316 179.196 176.870 0.016 0.000 1.092 173 L CA 1.032 55.889 54.840 0.027 0.000 0.759 173 L CB -0.384 41.683 42.059 0.013 0.000 0.903 173 L HN 0.209 nan 8.230 nan 0.000 0.435 174 L N -1.179 120.054 121.223 0.017 0.000 2.056 174 L HA -0.173 4.178 4.340 0.017 0.000 0.207 174 L C 2.557 179.435 176.870 0.013 0.000 1.078 174 L CA 0.803 55.648 54.840 0.010 0.000 0.749 174 L CB -0.621 41.446 42.059 0.013 0.000 0.901 174 L HN 0.065 nan 8.230 nan 0.000 0.433 175 V N 0.535 120.462 119.914 0.022 0.000 2.343 175 V HA -0.215 3.915 4.120 0.017 0.000 0.247 175 V C 2.669 178.775 176.094 0.021 0.000 1.051 175 V CA 2.019 64.333 62.300 0.023 0.000 1.036 175 V CB -1.212 30.629 31.823 0.030 0.000 0.654 175 V HN 0.577 nan 8.190 nan 0.000 0.451 176 G N 0.163 108.976 108.800 0.021 0.000 2.442 176 G HA2 -0.294 3.676 3.960 0.017 0.000 0.219 176 G HA3 -0.294 3.676 3.960 0.017 0.000 0.219 176 G C 1.841 176.742 174.900 0.002 0.000 1.141 176 G CA 1.413 46.523 45.100 0.017 0.000 0.763 176 G HN 0.662 nan 8.290 nan 0.000 0.554 177 S N -0.158 115.542 115.700 0.001 0.000 2.428 177 S HA -0.066 4.414 4.470 0.017 0.000 0.230 177 S C 2.155 176.744 174.600 -0.019 0.000 1.014 177 S CA 1.366 59.560 58.200 -0.010 0.000 0.957 177 S CB -0.246 62.948 63.200 -0.010 0.000 0.784 177 S HN 0.519 nan 8.310 nan 0.000 0.499 178 Q N 0.377 120.172 119.800 -0.008 0.000 2.079 178 Q HA 0.026 4.377 4.340 0.017 0.000 0.200 178 Q C 2.089 178.089 176.000 0.000 0.000 0.974 178 Q CA 1.370 57.171 55.803 -0.002 0.000 0.840 178 Q CB -0.267 28.478 28.738 0.012 0.000 0.898 178 Q HN 0.499 nan 8.270 nan 0.000 0.430 179 I N 0.774 121.345 120.570 0.002 0.000 2.179 179 I HA -0.246 3.934 4.170 0.017 0.000 0.242 179 I C 2.387 178.433 176.117 -0.117 0.000 1.088 179 I CA 1.437 62.733 61.300 -0.008 0.000 1.357 179 I CB -1.697 36.306 38.000 0.006 0.000 1.051 179 I HN 0.135 nan 8.210 nan 0.000 0.409 180 A N 1.208 123.964 122.820 -0.105 0.000 1.892 180 A HA -0.199 4.132 4.320 0.017 0.000 0.218 180 A C 2.592 180.100 177.584 -0.126 0.000 1.188 180 A CA 2.579 54.534 52.037 -0.137 0.000 0.631 180 A CB -0.970 17.984 19.000 -0.078 0.000 0.822 180 A HN 0.448 nan 8.150 nan 0.000 0.447 181 A N -0.434 122.342 122.820 -0.074 0.000 1.933 181 A HA -0.185 4.145 4.320 0.017 0.000 0.218 181 A C 1.902 179.458 177.584 -0.046 0.000 1.175 181 A CA 1.766 53.769 52.037 -0.056 0.000 0.628 181 A CB -0.555 18.422 19.000 -0.039 0.000 0.814 181 A HN 0.663 nan 8.150 nan 0.000 0.444 182 E N -0.661 119.521 120.200 -0.031 0.000 2.077 182 E HA -0.183 4.177 4.350 0.017 0.000 0.193 182 E C 2.083 178.662 176.600 -0.036 0.000 0.989 182 E CA 1.507 57.936 56.400 0.048 0.000 0.800 182 E CB -0.280 29.534 29.700 0.190 0.000 0.746 182 E HN 0.671 nan 8.360 nan 0.000 0.452 183 M N 0.176 119.545 119.600 -0.384 0.000 2.086 183 M HA -0.171 4.320 4.480 0.017 0.000 0.261 183 M C 2.282 178.479 176.300 -0.172 0.000 1.067 183 M CA 1.568 56.517 55.300 -0.584 0.000 1.116 183 M CB -0.196 31.978 32.600 -0.710 0.000 1.348 183 M HN -0.007 nan 8.290 nan 0.000 0.407 184 R N -0.313 120.114 120.500 -0.122 0.000 2.092 184 R HA -0.107 4.243 4.340 0.017 0.000 0.231 184 R C 2.166 178.490 176.300 0.040 0.000 1.119 184 R CA 0.846 56.921 56.100 -0.043 0.000 0.970 184 R CB -0.333 29.935 30.300 -0.052 0.000 0.864 184 R HN 0.325 nan 8.270 nan 0.000 0.440 185 E N 0.964 121.193 120.200 0.048 0.000 2.051 185 E HA -0.133 4.227 4.350 0.017 0.000 0.192 185 E C 1.974 178.665 176.600 0.151 0.000 0.991 185 E CA 1.515 57.980 56.400 0.108 0.000 0.799 185 E CB -0.181 29.572 29.700 0.089 0.000 0.748 185 E HN 0.302 nan 8.360 nan 0.000 0.449 186 A N 0.713 123.622 122.820 0.148 0.000 1.877 186 A HA -0.162 4.169 4.320 0.017 0.000 0.216 186 A C 2.341 180.001 177.584 0.128 0.000 1.186 186 A CA 1.807 53.945 52.037 0.169 0.000 0.620 186 A CB -0.540 18.641 19.000 0.302 0.000 0.822 186 A HN 0.229 nan 8.150 nan 0.000 0.443 187 M N -2.353 117.313 119.600 0.110 0.000 2.213 187 M HA -0.137 4.353 4.480 0.017 0.000 0.263 187 M C 2.217 178.580 176.300 0.105 0.000 1.062 187 M CA 1.704 57.058 55.300 0.090 0.000 1.105 187 M CB -0.405 32.231 32.600 0.060 0.000 1.385 187 M HN 0.618 nan 8.290 nan 0.000 0.417 188 Y N 1.502 121.819 120.300 0.028 0.000 2.153 188 Y HA -0.165 4.398 4.550 0.023 0.000 0.289 188 Y C 2.175 178.095 175.900 0.033 0.000 1.127 188 Y CA 1.624 59.740 58.100 0.028 0.000 1.131 188 Y CB -0.353 38.116 38.460 0.014 0.000 0.995 188 Y HN 0.223 nan 8.280 nan 0.000 0.505 189 N N 0.007 118.680 118.700 -0.045 0.000 2.188 189 N HA -0.143 4.608 4.740 0.017 0.000 0.184 189 N C 1.655 177.109 175.510 -0.093 0.000 1.018 189 N CA 1.591 54.589 53.050 -0.088 0.000 0.858 189 N CB -0.247 38.260 38.487 0.033 0.000 0.989 189 N HN 0.583 nan 8.380 nan 0.000 0.426 190 Q N -0.497 119.280 119.800 -0.038 0.000 2.297 190 Q HA 0.234 4.585 4.340 0.017 0.000 0.203 190 Q C 1.204 177.188 176.000 -0.027 0.000 0.931 190 Q CA 0.496 56.288 55.803 -0.017 0.000 0.885 190 Q CB 0.608 29.361 28.738 0.026 0.000 0.991 190 Q HN 0.280 nan 8.270 nan 0.000 0.498 191 L N -1.572 119.634 121.223 -0.029 0.000 2.966 191 L HA 0.368 4.718 4.340 0.017 0.000 0.262 191 L C 0.908 177.755 176.870 -0.037 0.000 1.165 191 L CA 0.232 55.068 54.840 -0.007 0.000 0.978 191 L CB 0.848 42.935 42.059 0.047 0.000 1.337 191 L HN 0.301 nan 8.230 nan 0.000 0.563 192 G N 1.239 109.939 108.800 -0.167 0.000 2.168 192 G HA2 -0.284 3.686 3.960 0.017 0.000 0.263 192 G HA3 -0.284 3.686 3.960 0.017 0.000 0.263 192 G C 0.126 175.037 174.900 0.018 0.000 0.977 192 G CA 0.245 45.214 45.100 -0.218 0.000 0.659 192 G HN 0.240 nan 8.290 nan 0.000 0.533 193 L N 1.273 122.569 121.223 0.121 0.000 2.322 193 L HA 0.679 5.029 4.340 0.017 0.000 0.279 193 L C 1.085 178.116 176.870 0.269 0.000 1.036 193 L CA -0.383 54.583 54.840 0.210 0.000 0.807 193 L CB 1.769 43.943 42.059 0.192 0.000 1.226 193 L HN 0.312 nan 8.230 nan 0.000 0.433 194 T N -0.905 113.773 114.554 0.207 0.000 2.936 194 T HA 0.910 5.270 4.350 0.017 0.000 0.282 194 T C -0.009 174.719 174.700 0.047 0.000 1.003 194 T CA -0.561 61.599 62.100 0.101 0.000 1.005 194 T CB 2.155 71.032 68.868 0.015 0.000 1.097 194 T HN 0.862 nan 8.240 nan 0.000 0.532 195 G N -1.223 107.572 108.800 -0.009 0.000 2.466 195 G HA2 0.489 4.459 3.960 0.017 0.000 0.291 195 G HA3 0.489 4.459 3.960 0.017 0.000 0.291 195 G C -1.320 173.546 174.900 -0.057 0.000 1.460 195 G CA -0.743 44.335 45.100 -0.037 0.000 0.791 195 G HN 0.988 nan 8.290 nan 0.000 0.505 196 C N -0.300 118.958 119.300 -0.070 0.000 2.349 196 C HA 1.004 5.474 4.460 0.017 0.000 0.361 196 C C 0.774 175.712 174.990 -0.087 0.000 1.189 196 C CA 0.515 59.503 59.018 -0.049 0.000 2.155 196 C CB 0.950 28.680 27.740 -0.016 0.000 2.336 196 C HN 1.310 nan 8.230 nan 0.000 0.540 197 A N 0.594 123.386 122.820 -0.046 0.000 2.539 197 A HA 0.897 5.227 4.320 0.017 0.000 0.296 197 A C -0.624 176.964 177.584 0.007 0.000 1.073 197 A CA -0.194 51.804 52.037 -0.066 0.000 0.700 197 A CB 1.341 20.291 19.000 -0.083 0.000 1.296 197 A HN 1.290 nan 8.150 nan 0.000 0.405 198 G N -0.113 108.705 108.800 0.031 0.000 2.643 198 G HA2 0.585 4.555 3.960 0.017 0.000 0.305 198 G HA3 0.585 4.555 3.960 0.017 0.000 0.305 198 G C -1.382 173.556 174.900 0.062 0.000 1.387 198 G CA -0.414 44.727 45.100 0.068 0.000 0.982 198 G HN 0.932 nan 8.290 nan 0.000 0.501 199 V N 0.897 120.841 119.914 0.051 0.000 2.513 199 V HA 0.914 5.045 4.120 0.017 0.000 0.299 199 V C 0.426 176.545 176.094 0.042 0.000 1.035 199 V CA 0.090 62.417 62.300 0.046 0.000 0.889 199 V CB 0.978 32.819 31.823 0.029 0.000 0.988 199 V HN 1.355 nan 8.190 nan 0.000 0.440 200 A N 2.908 125.755 122.820 0.045 0.000 2.536 200 A HA 0.664 4.995 4.320 0.017 0.000 0.293 200 A C 0.381 177.986 177.584 0.036 0.000 1.119 200 A CA 0.232 52.288 52.037 0.032 0.000 0.654 200 A CB 1.003 20.014 19.000 0.019 0.000 1.291 200 A HN 1.087 nan 8.150 nan 0.000 0.439 201 S N -0.243 115.472 115.700 0.026 0.000 2.575 201 S HA 0.188 4.668 4.470 0.017 0.000 0.215 201 S C 0.370 174.980 174.600 0.015 0.000 0.966 201 S CA 0.539 58.754 58.200 0.025 0.000 0.911 201 S CB -0.832 62.383 63.200 0.025 0.000 0.780 201 S HN 1.135 nan 8.310 nan 0.000 0.514 202 N N -0.368 118.339 118.700 0.011 0.000 2.934 202 N HA 0.287 5.037 4.740 0.017 0.000 0.253 202 N C -0.289 175.217 175.510 -0.007 0.000 1.466 202 N CA -0.960 52.083 53.050 -0.011 0.000 0.858 202 N CB 0.879 39.349 38.487 -0.027 0.000 1.459 202 N HN -0.194 nan 8.380 nan 0.000 0.532 203 K N 0.063 120.412 120.400 -0.084 0.000 2.057 203 K HA -0.001 4.330 4.320 0.017 0.000 0.206 203 K C 1.859 178.460 176.600 0.002 0.000 1.050 203 K CA 0.832 57.042 56.287 -0.128 0.000 0.935 203 K CB -0.279 31.846 32.500 -0.627 0.000 0.715 203 K HN 0.410 nan 8.250 nan 0.000 0.439 204 L N 0.964 122.151 121.223 -0.061 0.000 1.990 204 L HA -0.250 4.100 4.340 0.017 0.000 0.213 204 L C 2.155 179.006 176.870 -0.032 0.000 1.072 204 L CA 1.398 56.212 54.840 -0.043 0.000 0.755 204 L CB -0.187 41.841 42.059 -0.052 0.000 0.889 204 L HN 0.174 nan 8.230 nan 0.000 0.432 205 L N -0.314 120.893 121.223 -0.027 0.000 2.109 205 L HA -0.077 4.274 4.340 0.017 0.000 0.207 205 L C 2.792 179.648 176.870 -0.024 0.000 1.086 205 L CA 1.855 56.668 54.840 -0.045 0.000 0.760 205 L CB -1.552 40.484 42.059 -0.039 0.000 0.910 205 L HN 0.253 nan 8.230 nan 0.000 0.437 206 A N -0.614 122.231 122.820 0.042 0.000 1.902 206 A HA -0.259 4.071 4.320 0.017 0.000 0.217 206 A C 2.452 180.057 177.584 0.036 0.000 1.181 206 A CA 1.961 54.051 52.037 0.088 0.000 0.623 206 A CB -0.441 18.688 19.000 0.216 0.000 0.818 206 A HN 0.384 nan 8.150 nan 0.000 0.443 207 K N -0.350 120.011 120.400 -0.065 0.000 2.097 207 K HA 0.019 4.349 4.320 0.017 0.000 0.205 207 K C 1.825 178.322 176.600 -0.172 0.000 1.050 207 K CA 1.068 57.109 56.287 -0.410 0.000 0.938 207 K CB -0.281 31.968 32.500 -0.418 0.000 0.718 207 K HN 0.453 nan 8.250 nan 0.000 0.442 208 L N 0.355 121.514 121.223 -0.107 0.000 2.141 208 L HA -0.122 4.229 4.340 0.017 0.000 0.209 208 L C 2.292 179.111 176.870 -0.085 0.000 1.094 208 L CA 0.648 55.430 54.840 -0.095 0.000 0.763 208 L CB -0.138 41.853 42.059 -0.115 0.000 0.908 208 L HN 0.117 nan 8.230 nan 0.000 0.437 209 V N -0.965 118.905 119.914 -0.073 0.000 3.354 209 V HA -0.106 4.024 4.120 0.017 0.000 0.258 209 V C 2.427 178.551 176.094 0.051 0.000 1.159 209 V CA 1.260 63.529 62.300 -0.051 0.000 1.125 209 V CB 0.320 32.098 31.823 -0.075 0.000 0.774 209 V HN 0.596 nan 8.190 nan 0.000 0.464 210 S N 0.078 115.820 115.700 0.070 0.000 2.423 210 S HA -0.016 4.465 4.470 0.017 0.000 0.231 210 S C 1.746 176.399 174.600 0.088 0.000 1.014 210 S CA 1.150 59.416 58.200 0.109 0.000 0.965 210 S CB -0.410 62.913 63.200 0.206 0.000 0.785 210 S HN 0.622 nan 8.310 nan 0.000 0.495 211 G N 0.480 109.317 108.800 0.062 0.000 3.284 211 G HA2 0.336 4.306 3.960 0.017 0.000 0.236 211 G HA3 0.336 4.306 3.960 0.017 0.000 0.236 211 G C 0.924 175.829 174.900 0.008 0.000 1.158 211 G CA 0.089 45.213 45.100 0.040 0.000 0.774 211 G HN 0.410 nan 8.290 nan 0.000 0.545 212 V N -0.193 119.735 119.914 0.022 0.000 2.515 212 V HA 0.120 4.251 4.120 0.017 0.000 0.250 212 V C 0.424 176.277 176.094 -0.401 0.000 1.058 212 V CA 1.003 63.230 62.300 -0.121 0.000 1.064 212 V CB -0.487 31.364 31.823 0.047 0.000 0.675 212 V HN 0.296 nan 8.190 nan 0.000 0.461 213 F N -0.072 119.817 119.950 -0.102 0.000 2.430 213 F HA 0.455 4.982 4.527 0.001 0.000 0.362 213 F C 1.093 176.839 175.800 -0.090 0.000 1.103 213 F CA -0.662 57.233 58.000 -0.175 0.000 1.045 213 F CB 1.311 40.053 39.000 -0.431 0.000 1.276 213 F HN -0.276 nan 8.300 nan 0.000 0.444 214 K N 2.673 123.114 120.400 0.068 0.000 2.031 214 K HA 0.048 4.379 4.320 0.017 0.000 0.205 214 K C -0.892 175.726 176.600 0.031 0.000 1.049 214 K CA 1.178 57.499 56.287 0.057 0.000 0.939 214 K CB -0.849 31.705 32.500 0.090 0.000 0.717 214 K HN 0.371 nan 8.250 nan 0.000 0.438 215 P HA -0.085 nan 4.420 nan 0.000 0.202 215 P C 0.031 177.231 177.300 -0.166 0.000 1.189 215 P CA 1.226 64.169 63.100 -0.261 0.000 0.921 215 P CB 0.102 31.545 31.700 -0.429 0.000 0.756 216 N N -0.777 117.850 118.700 -0.122 0.000 2.752 216 N HA 0.163 4.914 4.740 0.017 0.000 0.260 216 N C -0.988 174.490 175.510 -0.055 0.000 1.562 216 N CA -0.281 52.709 53.050 -0.099 0.000 0.788 216 N CB 0.188 38.591 38.487 -0.139 0.000 1.192 216 N HN 0.036 nan 8.380 nan 0.000 0.503 217 Q N -0.110 119.687 119.800 -0.006 0.000 2.615 217 Q HA 0.444 4.794 4.340 0.017 0.000 0.298 217 Q C -1.365 174.674 176.000 0.064 0.000 1.023 217 Q CA -0.966 54.864 55.803 0.046 0.000 0.768 217 Q CB 2.468 31.277 28.738 0.120 0.000 1.500 217 Q HN 0.572 nan 8.270 nan 0.000 0.441 218 Q N -0.521 119.342 119.800 0.106 0.000 2.456 218 Q HA 0.793 5.143 4.340 0.017 0.000 0.283 218 Q C -1.395 174.704 176.000 0.164 0.000 1.084 218 Q CA -0.748 55.113 55.803 0.098 0.000 0.801 218 Q CB 2.522 31.274 28.738 0.024 0.000 1.434 218 Q HN 0.479 nan 8.270 nan 0.000 0.419 219 T N 0.728 115.374 114.554 0.152 0.000 2.903 219 T HA 0.563 4.923 4.350 0.017 0.000 0.299 219 T C -1.520 173.261 174.700 0.135 0.000 1.093 219 T CA -0.695 61.524 62.100 0.199 0.000 1.002 219 T CB 1.953 71.010 68.868 0.316 0.000 1.127 219 T HN 0.517 nan 8.240 nan 0.000 0.488 220 V N 2.822 122.814 119.914 0.130 0.000 2.656 220 V HA 0.769 4.899 4.120 0.017 0.000 0.307 220 V C -1.454 174.698 176.094 0.097 0.000 1.051 220 V CA -1.011 61.337 62.300 0.079 0.000 0.893 220 V CB 1.655 33.498 31.823 0.034 0.000 0.999 220 V HN 0.767 nan 8.190 nan 0.000 0.426 221 L N 7.407 128.663 121.223 0.055 0.000 2.262 221 L HA 0.571 4.922 4.340 0.017 0.000 0.288 221 L C -0.561 176.316 176.870 0.010 0.000 1.035 221 L CA 0.135 55.002 54.840 0.044 0.000 0.820 221 L CB 0.951 42.994 42.059 -0.027 0.000 1.204 221 L HN 0.635 nan 8.230 nan 0.000 0.424 222 L N 7.307 128.527 121.223 -0.006 0.000 2.395 222 L HA 0.327 4.678 4.340 0.017 0.000 0.269 222 L C -1.188 175.698 176.870 0.026 0.000 1.133 222 L CA -1.645 53.144 54.840 -0.086 0.000 0.812 222 L CB 0.443 42.334 42.059 -0.282 0.000 1.125 222 L HN 0.469 nan 8.230 nan 0.000 0.452 223 P HA -0.195 nan 4.420 nan 0.000 0.216 223 P C 0.862 178.225 177.300 0.106 0.000 1.157 223 P CA 1.211 64.368 63.100 0.095 0.000 0.880 223 P CB 0.214 31.986 31.700 0.120 0.000 0.791 224 E N -0.848 119.434 120.200 0.136 0.000 2.396 224 E HA -0.074 4.286 4.350 0.017 0.000 0.200 224 E C 1.265 177.942 176.600 0.128 0.000 1.023 224 E CA 0.962 57.437 56.400 0.125 0.000 0.857 224 E CB -0.850 28.927 29.700 0.129 0.000 0.775 224 E HN 0.216 nan 8.360 nan 0.000 0.525 225 S N -0.809 114.971 115.700 0.133 0.000 2.568 225 S HA 0.031 4.511 4.470 0.017 0.000 0.232 225 S C 1.452 176.157 174.600 0.176 0.000 0.975 225 S CA -0.230 58.087 58.200 0.196 0.000 0.949 225 S CB -0.036 63.334 63.200 0.283 0.000 0.829 225 S HN 0.525 nan 8.310 nan 0.000 0.479 226 C N 2.121 121.482 119.300 0.101 0.000 2.429 226 C HA -0.106 4.365 4.460 0.017 0.000 0.277 226 C C 2.557 177.576 174.990 0.048 0.000 1.262 226 C CA 1.064 60.106 59.018 0.039 0.000 1.733 226 C CB -0.802 26.960 27.740 0.036 0.000 2.010 226 C HN 0.469 nan 8.230 nan 0.000 0.483 227 Q N -0.165 119.703 119.800 0.113 0.000 2.079 227 Q HA -0.148 4.202 4.340 0.017 0.000 0.200 227 Q C 2.149 178.263 176.000 0.190 0.000 0.974 227 Q CA 1.671 57.544 55.803 0.117 0.000 0.840 227 Q CB -1.042 27.834 28.738 0.230 0.000 0.898 227 Q HN 0.823 nan 8.270 nan 0.000 0.430 228 H N 1.007 120.182 119.070 0.175 0.000 2.319 228 H HA -0.107 4.459 4.556 0.017 0.000 0.297 228 H C 2.076 177.517 175.328 0.190 0.000 1.097 228 H CA 1.362 57.544 56.048 0.223 0.000 1.285 228 H CB -0.160 29.765 29.762 0.271 0.000 1.368 228 H HN 0.185 nan 8.280 nan 0.000 0.495 229 L N -0.015 121.341 121.223 0.221 0.000 2.017 229 L HA -0.181 4.170 4.340 0.017 0.000 0.208 229 L C 2.738 179.561 176.870 -0.078 0.000 1.073 229 L CA 1.322 56.123 54.840 -0.066 0.000 0.745 229 L CB -0.332 41.491 42.059 -0.393 0.000 0.894 229 L HN 0.225 nan 8.230 nan 0.000 0.432 230 I N -0.736 119.757 120.570 -0.129 0.000 2.315 230 I HA -0.301 3.880 4.170 0.017 0.000 0.248 230 I C 2.367 178.336 176.117 -0.247 0.000 1.117 230 I CA 1.457 62.628 61.300 -0.216 0.000 1.404 230 I CB -0.348 37.476 38.000 -0.293 0.000 1.071 230 I HN 0.281 nan 8.210 nan 0.000 0.419 231 H N -0.481 118.545 119.070 -0.073 0.000 2.547 231 H HA 0.096 4.661 4.556 0.016 0.000 0.272 231 H C 2.391 177.649 175.328 -0.118 0.000 0.989 231 H CA 1.040 57.028 56.048 -0.101 0.000 1.214 231 H CB -0.255 29.445 29.762 -0.103 0.000 1.389 231 H HN 0.443 nan 8.280 nan 0.000 0.577 232 S N 0.282 115.972 115.700 -0.016 0.000 2.481 232 S HA -0.009 4.471 4.470 0.017 0.000 0.231 232 S C 1.085 175.676 174.600 -0.014 0.000 0.996 232 S CA -0.084 58.101 58.200 -0.025 0.000 0.942 232 S CB -0.495 62.737 63.200 0.054 0.000 0.768 232 S HN 0.147 nan 8.310 nan 0.000 0.520 233 L N 2.166 123.372 121.223 -0.029 0.000 2.461 233 L HA 0.213 4.563 4.340 0.017 0.000 0.272 233 L C 1.195 178.055 176.870 -0.018 0.000 1.197 233 L CA -0.431 54.392 54.840 -0.028 0.000 0.836 233 L CB 0.097 42.128 42.059 -0.047 0.000 1.105 233 L HN 0.185 nan 8.230 nan 0.000 0.477 234 N N -0.602 118.099 118.700 0.001 0.000 2.322 234 N HA 0.043 4.793 4.740 0.017 0.000 0.181 234 N C -0.112 175.417 175.510 0.031 0.000 1.088 234 N CA 0.421 53.476 53.050 0.009 0.000 0.885 234 N CB 0.507 39.009 38.487 0.024 0.000 1.013 234 N HN 0.505 nan 8.380 nan 0.000 0.472 235 H N 0.178 119.230 119.070 -0.030 0.000 2.996 235 H HA 0.187 4.753 4.556 0.017 0.000 0.368 235 H C 1.003 176.305 175.328 -0.043 0.000 1.185 235 H CA -0.493 55.535 56.048 -0.033 0.000 1.160 235 H CB 2.036 31.783 29.762 -0.025 0.000 1.820 235 H HN -0.148 nan 8.280 nan 0.000 0.547 236 I N -0.191 120.412 120.570 0.055 0.000 2.700 236 I HA -0.106 4.074 4.170 0.017 0.000 0.261 236 I C 1.848 178.044 176.117 0.131 0.000 1.219 236 I CA 0.926 62.260 61.300 0.058 0.000 1.463 236 I CB -0.148 37.844 38.000 -0.013 0.000 1.092 236 I HN 0.105 nan 8.210 nan 0.000 0.452 237 K N 2.021 122.566 120.400 0.241 0.000 2.442 237 K HA -0.118 4.213 4.320 0.017 0.000 0.198 237 K C 1.399 178.023 176.600 0.042 0.000 1.042 237 K CA 1.093 57.428 56.287 0.080 0.000 0.958 237 K CB 0.002 32.500 32.500 -0.004 0.000 0.766 237 K HN 0.582 nan 8.250 nan 0.000 0.474 238 E N -0.141 120.088 120.200 0.049 0.000 2.442 238 E HA 0.082 4.442 4.350 0.017 0.000 0.195 238 E C 0.007 176.599 176.600 -0.012 0.000 1.030 238 E CA -0.121 56.286 56.400 0.011 0.000 0.869 238 E CB 0.315 30.022 29.700 0.012 0.000 0.857 238 E HN 0.204 nan 8.360 nan 0.000 0.505 239 I N 3.365 123.927 120.570 -0.014 0.000 2.421 239 I HA 0.070 4.251 4.170 0.017 0.000 0.291 239 I C -2.243 173.859 176.117 -0.025 0.000 1.089 239 I CA -2.153 59.127 61.300 -0.033 0.000 1.354 239 I CB 0.457 38.430 38.000 -0.045 0.000 1.413 239 I HN -0.276 nan 8.210 nan 0.000 0.513 240 P HA 0.026 nan 4.420 nan 0.000 0.260 240 P C 0.829 178.116 177.300 -0.022 0.000 1.185 240 P CA 0.726 63.814 63.100 -0.020 0.000 0.763 240 P CB 0.637 32.325 31.700 -0.020 0.000 0.776 241 G N 3.232 112.023 108.800 -0.014 0.000 2.391 241 G HA2 -0.179 3.791 3.960 0.017 0.000 0.204 241 G HA3 -0.179 3.791 3.960 0.017 0.000 0.204 241 G C -0.011 174.882 174.900 -0.013 0.000 1.012 241 G CA -0.490 44.600 45.100 -0.018 0.000 0.651 241 G HN 0.478 nan 8.290 nan 0.000 0.494 242 I N 2.874 123.438 120.570 -0.010 0.000 2.306 242 I HA 0.559 4.740 4.170 0.017 0.000 0.288 242 I C 1.225 177.347 176.117 0.009 0.000 1.036 242 I CA -0.030 61.267 61.300 -0.005 0.000 1.221 242 I CB 1.197 39.192 38.000 -0.007 0.000 1.385 242 I HN 0.262 nan 8.210 nan 0.000 0.472 243 G N 3.532 112.341 108.800 0.014 0.000 2.606 243 G HA2 0.038 4.008 3.960 0.017 0.000 0.262 243 G HA3 0.038 4.008 3.960 0.017 0.000 0.262 243 G C 0.387 175.333 174.900 0.078 0.000 1.394 243 G CA -0.124 45.002 45.100 0.043 0.000 1.044 243 G HN 0.518 nan 8.290 nan 0.000 0.553 244 Y N 0.988 121.265 120.300 -0.038 0.000 2.114 244 Y HA -0.193 4.368 4.550 0.017 0.000 0.282 244 Y C 3.051 178.926 175.900 -0.041 0.000 1.165 244 Y CA 3.080 61.153 58.100 -0.044 0.000 1.148 244 Y CB -0.686 37.751 38.460 -0.039 0.000 0.972 244 Y HN 0.517 nan 8.280 nan 0.000 0.504 245 K N -0.139 120.187 120.400 -0.124 0.000 1.965 245 K HA -0.128 4.202 4.320 0.017 0.000 0.214 245 K C 2.151 178.664 176.600 -0.145 0.000 1.042 245 K CA 2.578 58.738 56.287 -0.212 0.000 0.950 245 K CB -2.032 30.390 32.500 -0.131 0.000 0.733 245 K HN 0.576 nan 8.250 nan 0.000 0.441 246 T N -0.467 114.039 114.554 -0.080 0.000 2.668 246 T HA -0.276 4.084 4.350 0.017 0.000 0.265 246 T C 2.200 176.860 174.700 -0.067 0.000 1.041 246 T CA 2.876 64.937 62.100 -0.064 0.000 1.160 246 T CB -1.132 67.711 68.868 -0.041 0.000 0.857 246 T HN 0.843 nan 8.240 nan 0.000 0.455 247 A N 2.334 125.124 122.820 -0.050 0.000 1.873 247 A HA -0.184 4.147 4.320 0.017 0.000 0.218 247 A C 2.458 180.000 177.584 -0.069 0.000 1.193 247 A CA 2.110 54.128 52.037 -0.032 0.000 0.629 247 A CB -0.592 18.394 19.000 -0.022 0.000 0.826 247 A HN 0.395 nan 8.150 nan 0.000 0.447 248 K N -0.530 119.784 120.400 -0.142 0.000 2.057 248 K HA -0.121 4.209 4.320 0.017 0.000 0.207 248 K C 2.175 178.702 176.600 -0.122 0.000 1.049 248 K CA 1.206 57.395 56.287 -0.164 0.000 0.931 248 K CB -1.543 30.783 32.500 -0.289 0.000 0.714 248 K HN 0.634 nan 8.250 nan 0.000 0.440 249 C N 1.032 120.259 119.300 -0.122 0.000 2.432 249 C HA -0.039 4.431 4.460 0.017 0.000 0.277 249 C C 2.644 177.574 174.990 -0.101 0.000 1.249 249 C CA 0.495 59.454 59.018 -0.099 0.000 1.725 249 C CB -1.045 26.641 27.740 -0.091 0.000 2.028 249 C HN 0.424 nan 8.230 nan 0.000 0.477 250 L N 0.702 121.863 121.223 -0.104 0.000 2.079 250 L HA -0.168 4.182 4.340 0.017 0.000 0.210 250 L C 2.778 179.573 176.870 -0.124 0.000 1.081 250 L CA 2.005 56.759 54.840 -0.144 0.000 0.752 250 L CB -0.742 41.246 42.059 -0.118 0.000 0.896 250 L HN 0.502 nan 8.230 nan 0.000 0.433 251 E N 0.034 120.199 120.200 -0.058 0.000 2.110 251 E HA -0.204 4.156 4.350 0.017 0.000 0.193 251 E C 2.260 178.833 176.600 -0.045 0.000 0.988 251 E CA 1.101 57.486 56.400 -0.025 0.000 0.804 251 E CB -0.177 29.523 29.700 -0.002 0.000 0.745 251 E HN 0.515 nan 8.360 nan 0.000 0.458 252 A N 0.787 123.572 122.820 -0.058 0.000 2.125 252 A HA -0.108 4.222 4.320 0.017 0.000 0.219 252 A C 1.790 179.350 177.584 -0.040 0.000 1.156 252 A CA 0.921 52.931 52.037 -0.044 0.000 0.671 252 A CB -0.160 18.811 19.000 -0.047 0.000 0.794 252 A HN 0.085 nan 8.150 nan 0.000 0.459 253 L N -1.169 120.007 121.223 -0.078 0.000 2.685 253 L HA 0.337 4.688 4.340 0.017 0.000 0.233 253 L C 1.674 178.512 176.870 -0.053 0.000 1.173 253 L CA 0.968 55.765 54.840 -0.072 0.000 0.961 253 L CB -0.037 41.888 42.059 -0.223 0.000 1.217 253 L HN 0.480 nan 8.230 nan 0.000 0.478 254 G N -0.068 108.709 108.800 -0.039 0.000 2.245 254 G HA2 -0.317 3.654 3.960 0.017 0.000 0.264 254 G HA3 -0.317 3.654 3.960 0.017 0.000 0.264 254 G C 0.511 175.378 174.900 -0.055 0.000 0.985 254 G CA 0.112 45.203 45.100 -0.014 0.000 0.625 254 G HN 0.319 nan 8.290 nan 0.000 0.536 255 I N 1.822 122.296 120.570 -0.160 0.000 2.421 255 I HA 0.198 4.378 4.170 0.017 0.000 0.291 255 I C 1.078 177.110 176.117 -0.141 0.000 1.089 255 I CA -0.101 61.087 61.300 -0.186 0.000 1.354 255 I CB 0.519 38.311 38.000 -0.347 0.000 1.413 255 I HN 0.138 nan 8.210 nan 0.000 0.513 256 N N 2.971 121.568 118.700 -0.172 0.000 2.486 256 N HA 0.034 4.784 4.740 0.017 0.000 0.242 256 N C 0.459 175.621 175.510 -0.579 0.000 1.083 256 N CA 0.199 53.052 53.050 -0.327 0.000 0.844 256 N CB 0.483 38.881 38.487 -0.147 0.000 1.527 256 N HN 0.605 nan 8.380 nan 0.000 0.462 257 S N 0.153 115.672 115.700 -0.302 0.000 2.693 257 S HA 0.355 4.835 4.470 0.017 0.000 0.276 257 S C 1.566 176.050 174.600 -0.193 0.000 1.192 257 S CA -0.687 57.367 58.200 -0.242 0.000 0.994 257 S CB 1.721 64.847 63.200 -0.124 0.000 1.012 257 S HN -0.131 nan 8.310 nan 0.000 0.550 258 V N 1.189 121.020 119.914 -0.138 0.000 2.407 258 V HA -0.131 3.999 4.120 0.017 0.000 0.248 258 V C 2.844 178.870 176.094 -0.114 0.000 1.055 258 V CA 2.194 64.408 62.300 -0.143 0.000 1.049 258 V CB -0.977 30.752 31.823 -0.156 0.000 0.662 258 V HN 0.920 nan 8.190 nan 0.000 0.455 259 R N -0.285 120.216 120.500 0.002 0.000 2.148 259 R HA -0.138 4.213 4.340 0.017 0.000 0.223 259 R C 1.897 178.183 176.300 -0.024 0.000 1.088 259 R CA 1.357 57.477 56.100 0.033 0.000 0.985 259 R CB -0.153 30.167 30.300 0.034 0.000 0.880 259 R HN 0.512 nan 8.270 nan 0.000 0.451 260 D N 0.456 120.831 120.400 -0.041 0.000 2.149 260 D HA -0.153 4.497 4.640 0.017 0.000 0.201 260 D C 1.714 178.018 176.300 0.007 0.000 0.972 260 D CA 0.727 54.725 54.000 -0.003 0.000 0.835 260 D CB -0.042 40.734 40.800 -0.041 0.000 0.966 260 D HN 0.173 nan 8.370 nan 0.000 0.476 261 L N 0.972 122.147 121.223 -0.079 0.000 2.156 261 L HA -0.078 4.272 4.340 0.017 0.000 0.208 261 L C 1.959 178.781 176.870 -0.081 0.000 1.095 261 L CA 1.547 56.338 54.840 -0.081 0.000 0.770 261 L CB -0.564 41.413 42.059 -0.137 0.000 0.914 261 L HN -0.058 nan 8.230 nan 0.000 0.439 262 Q N -0.802 118.866 119.800 -0.220 0.000 2.124 262 Q HA -0.151 4.199 4.340 0.017 0.000 0.202 262 Q C 1.725 177.721 176.000 -0.007 0.000 0.977 262 Q CA 2.120 57.671 55.803 -0.420 0.000 0.850 262 Q CB -0.266 28.050 28.738 -0.702 0.000 0.901 262 Q HN 0.728 nan 8.270 nan 0.000 0.429 263 T N -2.408 112.177 114.554 0.051 0.000 3.081 263 T HA 0.073 4.433 4.350 0.017 0.000 0.250 263 T C 0.393 175.177 174.700 0.141 0.000 1.100 263 T CA -0.419 61.749 62.100 0.113 0.000 1.038 263 T CB -0.153 68.762 68.868 0.078 0.000 0.962 263 T HN 0.011 nan 8.240 nan 0.000 0.516 264 F N 3.346 123.298 119.950 0.003 0.000 2.535 264 F HA 0.381 4.918 4.527 0.017 0.000 0.332 264 F C 0.948 176.764 175.800 0.026 0.000 1.208 264 F CA -0.553 57.451 58.000 0.006 0.000 1.330 264 F CB 0.670 39.666 39.000 -0.007 0.000 1.167 264 F HN 0.113 nan 8.300 nan 0.000 0.597 265 S N 4.973 120.298 115.700 -0.625 0.000 2.488 265 S HA 0.201 4.681 4.470 0.017 0.000 0.278 265 S C -1.675 172.906 174.600 -0.032 0.000 1.259 265 S CA -1.154 56.854 58.200 -0.319 0.000 1.061 265 S CB 0.809 63.755 63.200 -0.424 0.000 0.910 265 S HN 0.438 nan 8.310 nan 0.000 0.491 266 P HA -0.175 nan 4.420 nan 0.000 0.215 266 P C 1.426 178.762 177.300 0.061 0.000 1.163 266 P CA 1.342 64.486 63.100 0.073 0.000 0.894 266 P CB 0.111 31.840 31.700 0.048 0.000 0.791 267 K N -0.493 119.918 120.400 0.018 0.000 2.020 267 K HA -0.119 4.211 4.320 0.017 0.000 0.212 267 K C 2.154 178.781 176.600 0.045 0.000 1.050 267 K CA 1.472 57.770 56.287 0.018 0.000 0.929 267 K CB -1.234 31.261 32.500 -0.009 0.000 0.714 267 K HN 0.279 nan 8.250 nan 0.000 0.443 268 I N 0.631 121.227 120.570 0.044 0.000 2.439 268 I HA -0.217 3.963 4.170 0.017 0.000 0.251 268 I C 2.342 178.573 176.117 0.190 0.000 1.139 268 I CA 0.392 61.750 61.300 0.096 0.000 1.438 268 I CB -0.200 37.835 38.000 0.058 0.000 1.085 268 I HN -0.004 nan 8.210 nan 0.000 0.427 269 L N 0.946 122.325 121.223 0.260 0.000 2.056 269 L HA -0.157 4.193 4.340 0.017 0.000 0.207 269 L C 2.382 179.316 176.870 0.106 0.000 1.078 269 L CA 1.831 56.801 54.840 0.217 0.000 0.749 269 L CB -0.521 41.696 42.059 0.263 0.000 0.901 269 L HN 0.152 nan 8.230 nan 0.000 0.433 270 E N -0.167 120.086 120.200 0.088 0.000 2.038 270 E HA -0.247 4.114 4.350 0.017 0.000 0.195 270 E C 1.711 178.336 176.600 0.041 0.000 1.000 270 E CA 1.742 58.173 56.400 0.053 0.000 0.803 270 E CB -0.118 29.607 29.700 0.041 0.000 0.750 270 E HN 0.483 nan 8.360 nan 0.000 0.448 271 K N 0.847 121.274 120.400 0.046 0.000 2.589 271 K HA 0.025 4.355 4.320 0.017 0.000 0.204 271 K C 1.098 177.720 176.600 0.037 0.000 1.029 271 K CA 0.839 57.147 56.287 0.035 0.000 1.177 271 K CB 0.032 32.550 32.500 0.030 0.000 0.902 271 K HN 0.082 nan 8.250 nan 0.000 0.501 272 E N -1.215 119.009 120.200 0.040 0.000 2.441 272 E HA 0.334 4.695 4.350 0.017 0.000 0.207 272 E C 1.222 177.827 176.600 0.008 0.000 0.803 272 E CA 0.066 56.482 56.400 0.026 0.000 1.240 272 E CB 0.605 30.327 29.700 0.037 0.000 1.233 272 E HN 0.349 nan 8.360 nan 0.000 0.590 273 L N -0.183 121.046 121.223 0.010 0.000 2.693 273 L HA 0.465 4.815 4.340 0.017 0.000 0.235 273 L C 0.525 177.396 176.870 0.002 0.000 1.127 273 L CA 0.117 54.955 54.840 -0.002 0.000 0.914 273 L CB 0.679 42.733 42.059 -0.008 0.000 1.193 273 L HN 0.240 nan 8.230 nan 0.000 0.502 274 G N 0.543 109.349 108.800 0.009 0.000 2.690 274 G HA2 -0.235 3.735 3.960 0.017 0.000 0.686 274 G HA3 -0.235 3.735 3.960 0.017 0.000 0.686 274 G C 0.148 175.056 174.900 0.013 0.000 1.277 274 G CA -0.170 44.936 45.100 0.009 0.000 0.799 274 G HN 0.047 nan 8.290 nan 0.000 0.613 275 I N 0.631 121.209 120.570 0.013 0.000 2.286 275 I HA -0.080 4.100 4.170 0.017 0.000 0.248 275 I C 2.592 178.716 176.117 0.013 0.000 1.115 275 I CA 2.739 64.048 61.300 0.015 0.000 1.392 275 I CB -0.100 37.907 38.000 0.012 0.000 1.065 275 I HN 0.792 nan 8.210 nan 0.000 0.418 276 S N -0.311 115.393 115.700 0.008 0.000 2.355 276 S HA -0.161 4.319 4.470 0.017 0.000 0.210 276 S C 2.055 176.657 174.600 0.004 0.000 1.035 276 S CA 1.779 59.982 58.200 0.004 0.000 1.011 276 S CB -0.666 62.534 63.200 0.001 0.000 1.000 276 S HN 0.300 nan 8.310 nan 0.000 0.423 277 V N 2.694 122.609 119.914 0.001 0.000 2.280 277 V HA -0.334 3.796 4.120 0.017 0.000 0.258 277 V C 2.819 178.916 176.094 0.004 0.000 1.081 277 V CA 2.431 64.730 62.300 -0.002 0.000 1.070 277 V CB -1.545 30.274 31.823 -0.007 0.000 0.666 277 V HN 0.685 nan 8.190 nan 0.000 0.450 278 A N -1.085 121.742 122.820 0.013 0.000 1.897 278 A HA -0.219 4.111 4.320 0.017 0.000 0.215 278 A C 2.252 179.858 177.584 0.036 0.000 1.181 278 A CA 1.685 53.737 52.037 0.025 0.000 0.620 278 A CB -0.400 18.623 19.000 0.039 0.000 0.821 278 A HN 0.653 nan 8.150 nan 0.000 0.443 279 Q N -0.811 119.008 119.800 0.032 0.000 2.424 279 Q HA 0.029 4.379 4.340 0.017 0.000 0.204 279 Q C 2.037 178.059 176.000 0.037 0.000 0.933 279 Q CA 0.559 56.386 55.803 0.041 0.000 0.929 279 Q CB -0.027 28.731 28.738 0.032 0.000 1.037 279 Q HN 0.667 nan 8.270 nan 0.000 0.511 280 R N 0.963 121.476 120.500 0.022 0.000 2.055 280 R HA -0.054 4.296 4.340 0.017 0.000 0.226 280 R C 2.464 178.775 176.300 0.018 0.000 1.135 280 R CA 1.427 57.536 56.100 0.015 0.000 0.959 280 R CB -0.370 29.930 30.300 0.001 0.000 0.854 280 R HN 0.484 nan 8.270 nan 0.000 0.431 281 I N -0.946 119.631 120.570 0.011 0.000 2.756 281 I HA -0.133 4.048 4.170 0.017 0.000 0.262 281 I C 2.149 178.272 176.117 0.010 0.000 1.225 281 I CA 1.293 62.593 61.300 -0.001 0.000 1.472 281 I CB -0.237 37.753 38.000 -0.016 0.000 1.094 281 I HN 0.288 nan 8.210 nan 0.000 0.454 282 Q N 1.343 121.172 119.800 0.048 0.000 2.212 282 Q HA -0.094 4.256 4.340 0.017 0.000 0.199 282 Q C 2.030 178.140 176.000 0.183 0.000 0.950 282 Q CA 0.681 56.538 55.803 0.090 0.000 0.863 282 Q CB 0.159 28.982 28.738 0.140 0.000 0.944 282 Q HN 0.402 nan 8.270 nan 0.000 0.465 283 K N 0.620 121.119 120.400 0.165 0.000 2.057 283 K HA -0.128 4.202 4.320 0.017 0.000 0.207 283 K C 2.111 178.798 176.600 0.145 0.000 1.049 283 K CA 0.971 57.375 56.287 0.195 0.000 0.931 283 K CB -0.379 32.174 32.500 0.089 0.000 0.714 283 K HN 0.327 nan 8.250 nan 0.000 0.440 284 L N 1.643 122.898 121.223 0.054 0.000 2.081 284 L HA -0.209 4.141 4.340 0.017 0.000 0.212 284 L C 2.582 179.428 176.870 -0.040 0.000 1.080 284 L CA 1.664 56.506 54.840 0.003 0.000 0.754 284 L CB -0.777 41.267 42.059 -0.025 0.000 0.893 284 L HN 0.249 nan 8.230 nan 0.000 0.433 285 S N -0.772 114.873 115.700 -0.091 0.000 2.474 285 S HA -0.120 4.360 4.470 0.017 0.000 0.235 285 S C 1.492 175.862 174.600 -0.383 0.000 0.997 285 S CA 0.800 58.849 58.200 -0.253 0.000 0.949 285 S CB -0.541 62.461 63.200 -0.329 0.000 0.766 285 S HN 0.386 nan 8.310 nan 0.000 0.517 286 F N 1.590 121.499 119.950 -0.068 0.000 2.727 286 F HA 0.413 4.950 4.527 0.017 0.000 0.302 286 F C 1.899 177.653 175.800 -0.077 0.000 1.097 286 F CA 0.165 58.123 58.000 -0.070 0.000 1.330 286 F CB 0.266 39.247 39.000 -0.031 0.000 1.084 286 F HN 0.395 nan 8.300 nan 0.000 0.578 287 G N 0.751 109.577 108.800 0.044 0.000 2.141 287 G HA2 -0.277 3.694 3.960 0.017 0.000 0.242 287 G HA3 -0.277 3.694 3.960 0.017 0.000 0.242 287 G C -0.031 174.890 174.900 0.034 0.000 0.982 287 G CA -0.310 44.797 45.100 0.011 0.000 0.662 287 G HN 0.385 nan 8.290 nan 0.000 0.527 288 E N 0.388 120.629 120.200 0.068 0.000 2.175 288 E HA 0.552 4.912 4.350 0.017 0.000 0.278 288 E C -0.916 175.695 176.600 0.018 0.000 0.969 288 E CA -0.532 55.893 56.400 0.042 0.000 0.796 288 E CB 1.476 31.207 29.700 0.053 0.000 1.104 288 E HN 0.208 nan 8.360 nan 0.000 0.395 289 D N 2.457 122.853 120.400 -0.006 0.000 2.419 289 D HA 0.038 4.688 4.640 0.017 0.000 0.219 289 D C -0.650 175.627 176.300 -0.038 0.000 1.349 289 D CA -0.545 53.438 54.000 -0.027 0.000 0.964 289 D CB 0.315 41.087 40.800 -0.046 0.000 1.463 289 D HN 0.382 nan 8.370 nan 0.000 0.573 290 N N 1.431 120.110 118.700 -0.035 0.000 2.280 290 N HA 0.032 4.782 4.740 0.017 0.000 0.192 290 N C -0.130 175.350 175.510 -0.050 0.000 1.109 290 N CA -0.175 52.854 53.050 -0.036 0.000 0.855 290 N CB 0.136 38.608 38.487 -0.025 0.000 0.974 290 N HN 0.236 nan 8.380 nan 0.000 0.482 291 S N 1.286 116.946 115.700 -0.067 0.000 2.544 291 S HA 0.174 4.654 4.470 0.017 0.000 0.290 291 S C -2.032 172.506 174.600 -0.103 0.000 1.276 291 S CA -1.042 57.107 58.200 -0.084 0.000 1.075 291 S CB 0.265 63.404 63.200 -0.103 0.000 0.849 291 S HN 0.252 nan 8.310 nan 0.000 0.494 292 P HA 0.226 nan 4.420 nan 0.000 0.276 292 P C -0.597 176.644 177.300 -0.100 0.000 1.244 292 P CA -0.687 62.371 63.100 -0.070 0.000 0.801 292 P CB 0.654 32.329 31.700 -0.041 0.000 1.006 293 V N 3.417 123.284 119.914 -0.078 0.000 2.455 293 V HA 0.101 4.231 4.120 0.017 0.000 0.273 293 V C 0.901 176.980 176.094 -0.026 0.000 1.045 293 V CA -0.040 62.218 62.300 -0.071 0.000 0.976 293 V CB -0.081 31.741 31.823 -0.001 0.000 0.993 293 V HN 0.360 nan 8.190 nan 0.000 0.475 294 I N 5.333 125.889 120.570 -0.023 0.000 2.365 294 I HA 0.263 4.443 4.170 0.017 0.000 0.291 294 I C 0.267 176.401 176.117 0.029 0.000 1.004 294 I CA -0.371 60.930 61.300 0.001 0.000 1.311 294 I CB 1.372 39.368 38.000 -0.007 0.000 1.401 294 I HN 0.479 nan 8.210 nan 0.000 0.491 295 L N 6.269 127.510 121.223 0.031 0.000 2.597 295 L HA -0.005 4.345 4.340 0.017 0.000 0.271 295 L C 1.194 178.092 176.870 0.046 0.000 1.157 295 L CA 0.391 55.256 54.840 0.043 0.000 0.928 295 L CB 0.698 42.779 42.059 0.036 0.000 1.216 295 L HN 0.779 nan 8.230 nan 0.000 0.481 296 S N 3.299 119.035 115.700 0.060 0.000 2.395 296 S HA 0.100 4.580 4.470 0.017 0.000 0.225 296 S C 1.157 175.799 174.600 0.070 0.000 1.027 296 S CA 0.455 58.694 58.200 0.065 0.000 0.965 296 S CB -0.168 63.080 63.200 0.080 0.000 0.812 296 S HN 1.110 nan 8.310 nan 0.000 0.482 297 G N 2.072 110.920 108.800 0.079 0.000 2.578 297 G HA2 -0.250 3.721 3.960 0.017 0.000 0.284 297 G HA3 -0.250 3.721 3.960 0.017 0.000 0.284 297 G C -2.757 172.197 174.900 0.089 0.000 1.283 297 G CA -0.427 44.717 45.100 0.073 0.000 0.944 297 G HN 0.381 nan 8.290 nan 0.000 0.558 298 P HA 0.395 nan 4.420 nan 0.000 0.274 298 P C -2.131 175.154 177.300 -0.026 0.000 1.237 298 P CA -0.829 62.257 63.100 -0.024 0.000 0.793 298 P CB 0.259 31.941 31.700 -0.029 0.000 0.977 299 P HA 0.113 nan 4.420 nan 0.000 0.272 299 P C 0.381 177.567 177.300 -0.191 0.000 1.230 299 P CA 0.017 63.031 63.100 -0.144 0.000 0.788 299 P CB 0.449 31.885 31.700 -0.440 0.000 0.949 300 Q N -0.411 119.314 119.800 -0.126 0.000 2.356 300 Q HA 0.144 4.495 4.340 0.017 0.000 0.205 300 Q C 0.234 176.182 176.000 -0.087 0.000 0.901 300 Q CA 0.549 56.306 55.803 -0.075 0.000 0.938 300 Q CB 0.134 28.857 28.738 -0.024 0.000 1.081 300 Q HN 0.620 nan 8.270 nan 0.000 0.517 301 S N -1.027 114.559 115.700 -0.189 0.000 2.587 301 S HA 0.723 5.204 4.470 0.017 0.000 0.269 301 S C -1.082 173.352 174.600 -0.277 0.000 1.154 301 S CA -0.893 57.236 58.200 -0.119 0.000 0.824 301 S CB 1.018 64.230 63.200 0.020 0.000 1.118 301 S HN 0.037 nan 8.310 nan 0.000 0.462 302 F N 1.393 121.435 119.950 0.154 0.000 2.557 302 F HA 0.754 5.291 4.527 0.017 0.000 0.316 302 F C 0.305 176.216 175.800 0.185 0.000 1.141 302 F CA -0.145 57.947 58.000 0.153 0.000 0.922 302 F CB 2.489 41.557 39.000 0.115 0.000 1.194 302 F HN 0.978 nan 8.300 nan 0.000 0.443 303 S N 2.272 118.156 115.700 0.308 0.000 2.607 303 S HA 0.769 5.250 4.470 0.017 0.000 0.273 303 S C -1.502 173.211 174.600 0.187 0.000 1.148 303 S CA -0.868 57.472 58.200 0.233 0.000 0.833 303 S CB 2.800 66.091 63.200 0.152 0.000 1.130 303 S HN 0.561 nan 8.310 nan 0.000 0.470 304 E N 0.214 120.499 120.200 0.142 0.000 2.410 304 E HA 0.655 5.015 4.350 0.017 0.000 0.269 304 E C -1.187 175.442 176.600 0.048 0.000 0.937 304 E CA -0.725 55.733 56.400 0.097 0.000 0.793 304 E CB 2.399 32.156 29.700 0.095 0.000 1.314 304 E HN 0.776 nan 8.360 nan 0.000 0.447 305 E N 0.250 120.458 120.200 0.013 0.000 2.388 305 E HA 0.294 4.655 4.350 0.017 0.000 0.280 305 E C -2.105 174.442 176.600 -0.088 0.000 1.019 305 E CA -0.454 55.921 56.400 -0.041 0.000 0.806 305 E CB 2.006 31.681 29.700 -0.041 0.000 1.246 305 E HN 0.219 nan 8.360 nan 0.000 0.443 306 D N 0.526 120.807 120.400 -0.198 0.000 2.970 306 D HA 0.352 5.002 4.640 0.017 0.000 0.230 306 D C -1.300 174.615 176.300 -0.643 0.000 1.276 306 D CA -0.170 53.629 54.000 -0.334 0.000 0.910 306 D CB 2.272 42.885 40.800 -0.313 0.000 1.590 306 D HN 0.228 nan 8.370 nan 0.000 0.551 307 S N 1.215 116.623 115.700 -0.487 0.000 2.669 307 S HA 0.817 5.297 4.470 0.017 0.000 0.270 307 S C -1.005 173.250 174.600 -0.575 0.000 1.225 307 S CA -0.327 57.585 58.200 -0.479 0.000 0.991 307 S CB 0.356 63.474 63.200 -0.137 0.000 0.987 307 S HN 0.349 nan 8.310 nan 0.000 0.552 308 F N -0.275 119.706 119.950 0.053 0.000 3.749 308 F HA 0.322 4.859 4.527 0.018 0.000 0.368 308 F C -0.921 174.899 175.800 0.032 0.000 0.887 308 F CA -1.636 56.390 58.000 0.044 0.000 1.668 308 F CB -1.434 37.588 39.000 0.036 0.000 2.105 308 F HN 0.154 nan 8.300 nan 0.000 0.866 309 K N 1.541 122.086 120.400 0.241 0.000 2.543 309 K HA 0.214 4.544 4.320 0.017 0.000 0.279 309 K C 0.815 177.485 176.600 0.116 0.000 1.001 309 K CA 0.986 57.355 56.287 0.137 0.000 1.088 309 K CB 0.057 32.583 32.500 0.042 0.000 0.863 309 K HN 0.953 nan 8.250 nan 0.000 0.488 310 K N 1.768 122.215 120.400 0.078 0.000 2.359 310 K HA -0.158 4.172 4.320 0.017 0.000 0.256 310 K C 1.069 177.654 176.600 -0.025 0.000 1.194 310 K CA 1.229 57.538 56.287 0.036 0.000 1.234 310 K CB -1.035 31.472 32.500 0.013 0.000 0.776 310 K HN 0.748 nan 8.250 nan 0.000 0.504 311 C N 1.858 121.069 119.300 -0.148 0.000 4.154 311 C HA 0.215 4.686 4.460 0.017 0.000 0.359 311 C C 0.834 175.553 174.990 -0.451 0.000 1.702 311 C CA 0.491 59.354 59.018 -0.258 0.000 1.900 311 C CB -0.320 27.300 27.740 -0.199 0.000 3.051 311 C HN 1.023 nan 8.230 nan 0.000 0.670 312 S N 0.998 116.379 115.700 -0.533 0.000 2.485 312 S HA 0.191 4.671 4.470 0.017 0.000 0.312 312 S C 0.998 175.514 174.600 -0.139 0.000 1.102 312 S CA 0.606 58.585 58.200 -0.369 0.000 1.066 312 S CB 0.960 63.973 63.200 -0.311 0.000 1.102 312 S HN 0.576 nan 8.310 nan 0.000 0.519 313 S N 2.470 118.111 115.700 -0.097 0.000 2.559 313 S HA -0.139 4.342 4.470 0.017 0.000 0.250 313 S C 0.609 175.211 174.600 0.002 0.000 0.977 313 S CA 1.086 59.261 58.200 -0.041 0.000 0.958 313 S CB -0.939 62.238 63.200 -0.039 0.000 0.751 313 S HN 0.921 nan 8.310 nan 0.000 0.534 314 E N -2.860 117.369 120.200 0.047 0.000 3.303 314 E HA -0.191 4.169 4.350 0.017 0.000 0.302 314 E C 0.375 177.049 176.600 0.123 0.000 0.902 314 E CA 0.790 57.287 56.400 0.162 0.000 1.042 314 E CB -1.907 27.866 29.700 0.122 0.000 1.528 314 E HN 0.843 nan 8.360 nan 0.000 0.424 315 V N -2.923 117.010 119.914 0.033 0.000 5.792 315 V HA 0.328 4.458 4.120 0.017 0.000 0.101 315 V C 1.624 177.667 176.094 -0.085 0.000 1.094 315 V CA 1.122 63.366 62.300 -0.092 0.000 0.923 315 V CB -0.952 30.837 31.823 -0.056 0.000 1.282 315 V HN 0.102 nan 8.190 nan 0.000 0.679 316 E N 1.213 121.388 120.200 -0.042 0.000 2.019 316 E HA 0.021 4.381 4.350 0.017 0.000 0.208 316 E C 1.785 178.387 176.600 0.004 0.000 1.030 316 E CA 2.459 58.843 56.400 -0.026 0.000 0.856 316 E CB -1.409 28.274 29.700 -0.028 0.000 0.781 316 E HN 2.545 nan 8.360 nan 0.000 0.471 317 A N 1.331 124.158 122.820 0.011 0.000 2.858 317 A HA 0.196 4.527 4.320 0.017 0.000 0.290 317 A C 1.308 179.026 177.584 0.223 0.000 1.683 317 A CA 1.596 53.668 52.037 0.057 0.000 1.180 317 A CB -0.611 18.361 19.000 -0.047 0.000 0.954 317 A HN 0.560 nan 8.150 nan 0.000 0.592 318 K N 0.752 121.256 120.400 0.173 0.000 2.611 318 K HA 0.012 4.342 4.320 0.017 0.000 0.209 318 K C 0.428 177.116 176.600 0.148 0.000 1.658 318 K CA 0.372 56.798 56.287 0.232 0.000 1.080 318 K CB -0.098 32.446 32.500 0.073 0.000 1.430 318 K HN 0.426 nan 8.250 nan 0.000 0.596 319 N N 2.160 120.919 118.700 0.099 0.000 2.223 319 N HA -0.103 4.647 4.740 0.017 0.000 0.185 319 N C 1.205 176.776 175.510 0.102 0.000 1.016 319 N CA 1.125 54.224 53.050 0.080 0.000 0.863 319 N CB 0.030 38.551 38.487 0.056 0.000 0.983 319 N HN 0.202 nan 8.380 nan 0.000 0.429 320 K N 0.696 121.177 120.400 0.134 0.000 2.147 320 K HA 0.020 4.350 4.320 0.017 0.000 0.205 320 K C 1.958 178.646 176.600 0.146 0.000 1.049 320 K CA 0.538 56.923 56.287 0.164 0.000 0.936 320 K CB -0.331 32.326 32.500 0.261 0.000 0.722 320 K HN 0.338 nan 8.250 nan 0.000 0.446 321 I N 1.548 122.210 120.570 0.153 0.000 2.202 321 I HA -0.254 3.926 4.170 0.017 0.000 0.242 321 I C 2.187 178.372 176.117 0.113 0.000 1.091 321 I CA 1.253 62.637 61.300 0.140 0.000 1.368 321 I CB -0.330 37.784 38.000 0.190 0.000 1.058 321 I HN 0.249 nan 8.210 nan 0.000 0.410 322 E N 0.639 120.900 120.200 0.102 0.000 2.058 322 E HA -0.240 4.120 4.350 0.017 0.000 0.194 322 E C 1.876 178.521 176.600 0.076 0.000 0.997 322 E CA 0.887 57.336 56.400 0.082 0.000 0.801 322 E CB -0.284 29.456 29.700 0.066 0.000 0.746 322 E HN 0.410 nan 8.360 nan 0.000 0.450 323 E N 1.118 121.364 120.200 0.076 0.000 2.154 323 E HA -0.263 4.097 4.350 0.017 0.000 0.240 323 E C 2.270 178.911 176.600 0.069 0.000 1.059 323 E CA 1.547 57.989 56.400 0.070 0.000 0.954 323 E CB -0.621 29.129 29.700 0.084 0.000 0.842 323 E HN 0.293 nan 8.360 nan 0.000 0.508 324 L N 0.174 121.447 121.223 0.082 0.000 2.042 324 L HA -0.243 4.108 4.340 0.017 0.000 0.210 324 L C 2.785 179.718 176.870 0.105 0.000 1.076 324 L CA 0.744 55.636 54.840 0.087 0.000 0.749 324 L CB -0.446 41.668 42.059 0.090 0.000 0.893 324 L HN 0.122 nan 8.230 nan 0.000 0.432 325 L N -0.242 121.051 121.223 0.117 0.000 2.017 325 L HA -0.181 4.170 4.340 0.017 0.000 0.208 325 L C 2.773 179.690 176.870 0.078 0.000 1.073 325 L CA 1.915 56.839 54.840 0.140 0.000 0.745 325 L CB -0.940 41.202 42.059 0.138 0.000 0.894 325 L HN 0.194 nan 8.230 nan 0.000 0.432 326 A N -0.863 121.990 122.820 0.055 0.000 1.852 326 A HA -0.311 4.020 4.320 0.017 0.000 0.217 326 A C 2.439 180.024 177.584 0.001 0.000 1.215 326 A CA 2.701 54.752 52.037 0.023 0.000 0.641 326 A CB -1.247 17.768 19.000 0.024 0.000 0.838 326 A HN 0.458 nan 8.150 nan 0.000 0.450 327 S N 0.169 115.874 115.700 0.008 0.000 2.389 327 S HA -0.247 4.233 4.470 0.017 0.000 0.229 327 S C 1.853 176.435 174.600 -0.030 0.000 1.048 327 S CA 1.820 60.016 58.200 -0.006 0.000 1.117 327 S CB -0.851 62.358 63.200 0.015 0.000 1.020 327 S HN 0.456 nan 8.310 nan 0.000 0.430 328 L N 0.351 121.577 121.223 0.004 0.000 2.089 328 L HA -0.181 4.169 4.340 0.017 0.000 0.213 328 L C 2.427 179.169 176.870 -0.213 0.000 1.079 328 L CA 0.901 55.716 54.840 -0.041 0.000 0.758 328 L CB -0.510 41.612 42.059 0.104 0.000 0.891 328 L HN 0.230 nan 8.230 nan 0.000 0.433 329 L N 0.136 121.254 121.223 -0.175 0.000 2.056 329 L HA -0.215 4.135 4.340 0.017 0.000 0.207 329 L C 2.427 179.145 176.870 -0.254 0.000 1.078 329 L CA 1.596 56.284 54.840 -0.253 0.000 0.749 329 L CB -0.769 41.215 42.059 -0.126 0.000 0.901 329 L HN 0.378 nan 8.230 nan 0.000 0.433 330 N N -0.218 118.374 118.700 -0.180 0.000 2.331 330 N HA -0.163 4.588 4.740 0.017 0.000 0.180 330 N C 1.911 177.291 175.510 -0.217 0.000 1.019 330 N CA 1.077 54.031 53.050 -0.161 0.000 0.881 330 N CB 0.081 38.506 38.487 -0.102 0.000 0.972 330 N HN 0.305 nan 8.380 nan 0.000 0.435 331 R N 0.113 120.454 120.500 -0.265 0.000 2.066 331 R HA 0.004 4.354 4.340 0.017 0.000 0.232 331 R C 2.168 178.076 176.300 -0.654 0.000 1.131 331 R CA 0.881 56.762 56.100 -0.365 0.000 0.955 331 R CB -0.619 29.494 30.300 -0.311 0.000 0.851 331 R HN 0.086 nan 8.270 nan 0.000 0.432 332 V N 1.028 120.501 119.914 -0.735 0.000 2.358 332 V HA -0.294 3.837 4.120 0.017 0.000 0.246 332 V C 2.620 178.417 176.094 -0.495 0.000 1.047 332 V CA 1.588 63.389 62.300 -0.833 0.000 1.035 332 V CB -0.274 31.077 31.823 -0.787 0.000 0.658 332 V HN 0.516 nan 8.190 nan 0.000 0.452 333 C N -0.570 118.510 119.300 -0.367 0.000 3.309 333 C HA -0.248 4.223 4.460 0.017 0.000 0.293 333 C C 2.778 177.643 174.990 -0.208 0.000 1.208 333 C CA 1.757 60.635 59.018 -0.233 0.000 1.812 333 C CB -1.135 26.496 27.740 -0.181 0.000 2.000 333 C HN 0.645 nan 8.230 nan 0.000 0.421 334 Q N 0.389 120.075 119.800 -0.190 0.000 2.303 334 Q HA -0.361 3.989 4.340 0.017 0.000 0.221 334 Q C 1.466 177.391 176.000 -0.125 0.000 1.081 334 Q CA 2.957 58.670 55.803 -0.149 0.000 0.985 334 Q CB -1.358 27.281 28.738 -0.165 0.000 1.093 334 Q HN 0.932 nan 8.270 nan 0.000 0.464 335 D N -1.929 118.374 120.400 -0.162 0.000 2.104 335 D HA -0.089 4.562 4.640 0.017 0.000 0.194 335 D C 1.381 177.657 176.300 -0.040 0.000 0.994 335 D CA 2.803 56.759 54.000 -0.073 0.000 0.830 335 D CB -0.176 40.613 40.800 -0.018 0.000 0.959 335 D HN 0.478 nan 8.370 nan 0.000 0.452 336 G N -0.814 107.956 108.800 -0.051 0.000 2.601 336 G HA2 -0.248 3.722 3.960 0.017 0.000 0.233 336 G HA3 -0.248 3.722 3.960 0.017 0.000 0.233 336 G C -0.437 174.456 174.900 -0.012 0.000 1.896 336 G CA -0.193 44.892 45.100 -0.025 0.000 1.514 336 G HN 0.442 nan 8.290 nan 0.000 0.512 337 R N 1.695 122.205 120.500 0.016 0.000 2.465 337 R HA 0.379 4.729 4.340 0.017 0.000 0.273 337 R C 0.439 176.765 176.300 0.044 0.000 0.952 337 R CA 1.656 57.781 56.100 0.042 0.000 1.103 337 R CB -0.154 30.189 30.300 0.072 0.000 0.861 337 R HN 0.985 nan 8.270 nan 0.000 0.425 338 K N 3.590 124.036 120.400 0.077 0.000 2.318 338 K HA 0.479 4.809 4.320 0.017 0.000 0.249 338 K C -2.748 173.974 176.600 0.204 0.000 0.942 338 K CA -2.070 54.275 56.287 0.097 0.000 0.808 338 K CB 1.140 33.695 32.500 0.091 0.000 1.189 338 K HN 0.507 nan 8.250 nan 0.000 0.428 339 P HA 0.318 nan 4.420 nan 0.000 0.286 339 P C -0.466 177.092 177.300 0.430 0.000 1.269 339 P CA 0.004 63.309 63.100 0.342 0.000 0.787 339 P CB 0.445 32.434 31.700 0.482 0.000 0.920 340 H N 0.187 119.328 119.070 0.118 0.000 2.539 340 H HA 0.162 4.728 4.556 0.017 0.000 0.269 340 H C -0.081 175.285 175.328 0.064 0.000 0.980 340 H CA 0.144 56.240 56.048 0.080 0.000 1.152 340 H CB 0.692 30.486 29.762 0.053 0.000 1.407 340 H HN 0.377 nan 8.280 nan 0.000 0.564 341 T N 0.882 115.545 114.554 0.182 0.000 2.916 341 T HA 0.328 4.689 4.350 0.017 0.000 0.305 341 T C -0.812 173.870 174.700 -0.030 0.000 1.119 341 T CA -0.515 61.625 62.100 0.067 0.000 1.008 341 T CB 3.024 71.927 68.868 0.058 0.000 1.129 341 T HN -0.097 nan 8.240 nan 0.000 0.480 342 V N 1.948 121.775 119.914 -0.144 0.000 3.019 342 V HA 0.934 5.064 4.120 0.017 0.000 0.317 342 V C -0.953 175.024 176.094 -0.195 0.000 1.094 342 V CA -0.855 61.234 62.300 -0.351 0.000 1.000 342 V CB 2.014 33.551 31.823 -0.476 0.000 1.060 342 V HN 0.882 nan 8.190 nan 0.000 0.443 343 R N 3.412 123.791 120.500 -0.201 0.000 2.633 343 R HA 0.543 4.894 4.340 0.017 0.000 0.255 343 R C -2.685 173.558 176.300 -0.095 0.000 1.106 343 R CA -0.578 55.458 56.100 -0.106 0.000 0.959 343 R CB 1.589 31.851 30.300 -0.063 0.000 1.259 343 R HN 0.609 nan 8.270 nan 0.000 0.453 344 L N 4.508 125.688 121.223 -0.072 0.000 2.354 344 L HA 0.675 5.025 4.340 0.017 0.000 0.269 344 L C -0.511 176.319 176.870 -0.067 0.000 1.005 344 L CA -0.555 54.242 54.840 -0.072 0.000 0.819 344 L CB 2.208 44.219 42.059 -0.080 0.000 1.311 344 L HN 0.503 nan 8.230 nan 0.000 0.423 345 I N 3.165 123.694 120.570 -0.069 0.000 2.769 345 I HA 0.647 4.827 4.170 0.017 0.000 0.298 345 I C -0.853 175.226 176.117 -0.063 0.000 1.128 345 I CA -0.728 60.540 61.300 -0.054 0.000 1.031 345 I CB 2.460 40.440 38.000 -0.034 0.000 1.235 345 I HN 0.597 nan 8.210 nan 0.000 0.423 346 I N 2.008 122.550 120.570 -0.047 0.000 3.181 346 I HA 0.701 4.881 4.170 0.017 0.000 0.311 346 I C -1.413 174.701 176.117 -0.005 0.000 1.287 346 I CA -0.773 60.506 61.300 -0.035 0.000 0.958 346 I CB 2.487 40.442 38.000 -0.075 0.000 1.294 346 I HN 0.661 nan 8.210 nan 0.000 0.467 347 R N 1.733 122.247 120.500 0.024 0.000 2.831 347 R HA 0.726 5.076 4.340 0.017 0.000 0.266 347 R C -1.714 174.612 176.300 0.045 0.000 1.051 347 R CA -1.069 55.050 56.100 0.031 0.000 0.943 347 R CB 2.022 32.340 30.300 0.031 0.000 1.228 347 R HN 0.886 nan 8.270 nan 0.000 0.467 348 R N -0.167 120.355 120.500 0.038 0.000 2.574 348 R HA 0.369 4.720 4.340 0.017 0.000 0.288 348 R C 0.030 176.349 176.300 0.031 0.000 1.004 348 R CA -0.358 55.762 56.100 0.034 0.000 0.895 348 R CB 1.270 31.585 30.300 0.024 0.000 1.191 348 R HN 0.682 nan 8.270 nan 0.000 0.444 357 R N 0.417 120.921 120.500 0.006 0.000 2.774 357 R HA 0.675 5.025 4.340 0.017 0.000 0.272 357 R C -1.130 175.167 176.300 -0.005 0.000 1.000 357 R CA -0.971 55.129 56.100 -0.001 0.000 0.906 357 R CB 2.725 33.023 30.300 -0.004 0.000 1.227 357 R HN 0.501 nan 8.270 nan 0.000 0.468 358 E N 0.498 120.690 120.200 -0.013 0.000 2.238 358 E HA 0.455 4.815 4.350 0.017 0.000 0.267 358 E C -1.267 175.317 176.600 -0.026 0.000 0.887 358 E CA -0.731 55.659 56.400 -0.016 0.000 0.769 358 E CB 2.415 32.106 29.700 -0.016 0.000 1.187 358 E HN 0.558 nan 8.360 nan 0.000 0.416 359 S N 2.291 117.979 115.700 -0.021 0.000 2.538 359 S HA 0.556 5.037 4.470 0.017 0.000 0.288 359 S C -0.617 173.970 174.600 -0.021 0.000 1.108 359 S CA -1.183 57.001 58.200 -0.026 0.000 0.971 359 S CB 1.493 64.681 63.200 -0.019 0.000 1.041 359 S HN 0.255 nan 8.310 nan 0.000 0.483 360 R N 2.275 122.758 120.500 -0.027 0.000 2.233 360 R HA 0.381 4.731 4.340 0.017 0.000 0.334 360 R C -0.210 176.077 176.300 -0.022 0.000 1.037 360 R CA -0.224 55.866 56.100 -0.018 0.000 0.920 360 R CB 0.519 30.813 30.300 -0.010 0.000 1.137 360 R HN 0.733 nan 8.270 nan 0.000 0.492 361 Q N 0.961 120.753 119.800 -0.014 0.000 2.260 361 Q HA 0.463 4.813 4.340 0.017 0.000 0.242 361 Q C -0.544 175.450 176.000 -0.011 0.000 0.932 361 Q CA -0.120 55.674 55.803 -0.016 0.000 0.891 361 Q CB 1.594 30.327 28.738 -0.007 0.000 1.222 361 Q HN 0.728 nan 8.270 nan 0.000 0.453 362 C N 3.045 122.335 119.300 -0.016 0.000 3.178 362 C HA 0.414 4.884 4.460 0.017 0.000 0.428 362 C C -2.969 172.013 174.990 -0.013 0.000 0.967 362 C CA -1.560 57.451 59.018 -0.012 0.000 1.205 362 C CB 0.793 28.524 27.740 -0.015 0.000 1.584 362 C HN 0.608 nan 8.230 nan 0.000 0.591 363 P HA 0.263 nan 4.420 nan 0.000 0.266 363 P C -0.387 176.901 177.300 -0.020 0.000 1.195 363 P CA 0.357 63.459 63.100 0.003 0.000 0.768 363 P CB 0.377 32.080 31.700 0.005 0.000 0.838 364 I N 5.488 126.042 120.570 -0.026 0.000 2.322 364 I HA 0.145 4.326 4.170 0.017 0.000 0.292 364 I C -1.813 174.235 176.117 -0.115 0.000 1.060 364 I CA -2.119 59.151 61.300 -0.051 0.000 1.309 364 I CB 0.670 38.669 38.000 -0.002 0.000 1.415 364 I HN 0.196 nan 8.210 nan 0.000 0.492 365 P HA 0.008 nan 4.420 nan 0.000 0.257 365 P C 0.620 177.725 177.300 -0.325 0.000 1.189 365 P CA 0.392 63.377 63.100 -0.192 0.000 0.780 365 P CB 0.471 32.056 31.700 -0.191 0.000 0.772 366 S N 3.682 119.259 115.700 -0.204 0.000 1.931 366 S HA -0.362 4.119 4.470 0.017 0.000 0.521 366 S C 1.750 176.242 174.600 -0.180 0.000 0.931 366 S CA 2.157 60.267 58.200 -0.151 0.000 3.252 366 S CB -1.812 61.384 63.200 -0.007 0.000 2.277 366 S HN 0.789 nan 8.310 nan 0.000 0.559 367 H N 1.739 120.792 119.070 -0.029 0.000 2.431 367 H HA -0.101 4.466 4.556 0.017 0.000 0.297 367 H C 2.244 177.564 175.328 -0.013 0.000 1.115 367 H CA 1.941 57.979 56.048 -0.017 0.000 1.277 367 H CB -1.055 28.702 29.762 -0.009 0.000 1.372 367 H HN 0.563 nan 8.280 nan 0.000 0.516 368 V N -0.132 119.479 119.914 -0.505 0.000 2.809 368 V HA -0.109 4.021 4.120 0.017 0.000 0.256 368 V C 2.597 178.634 176.094 -0.095 0.000 1.080 368 V CA 1.126 63.297 62.300 -0.215 0.000 1.102 368 V CB -0.918 30.760 31.823 -0.243 0.000 0.705 368 V HN 0.303 nan 8.190 nan 0.000 0.475 369 I N 0.112 120.615 120.570 -0.112 0.000 2.194 369 I HA -0.198 3.982 4.170 0.017 0.000 0.246 369 I C 2.089 178.189 176.117 -0.027 0.000 1.093 369 I CA 1.271 62.535 61.300 -0.060 0.000 1.355 369 I CB -0.256 37.687 38.000 -0.095 0.000 1.046 369 I HN 0.474 nan 8.210 nan 0.000 0.413 380 M N 1.266 120.882 119.600 0.027 0.000 2.065 380 M HA -0.177 4.313 4.480 0.017 0.000 0.259 380 M C 2.314 178.642 176.300 0.047 0.000 1.071 380 M CA 2.915 58.239 55.300 0.039 0.000 1.109 380 M CB -0.507 32.112 32.600 0.032 0.000 1.313 380 M HN 0.837 nan 8.290 nan 0.000 0.408 381 T N -0.446 114.131 114.554 0.038 0.000 2.653 381 T HA -0.147 4.214 4.350 0.017 0.000 0.268 381 T C -0.862 173.864 174.700 0.044 0.000 1.035 381 T CA 1.548 63.671 62.100 0.037 0.000 1.154 381 T CB -2.143 66.744 68.868 0.031 0.000 0.862 381 T HN 0.297 nan 8.240 nan 0.000 0.441 382 P HA -0.005 nan 4.420 nan 0.000 0.214 382 P C 1.765 179.094 177.300 0.048 0.000 1.162 382 P CA 0.659 63.792 63.100 0.055 0.000 0.879 382 P CB -0.152 31.586 31.700 0.064 0.000 0.786 383 M N -0.193 119.439 119.600 0.053 0.000 2.226 383 M HA -0.167 4.323 4.480 0.017 0.000 0.257 383 M C 2.088 178.425 176.300 0.062 0.000 1.070 383 M CA 1.680 57.019 55.300 0.066 0.000 1.087 383 M CB -1.697 30.968 32.600 0.107 0.000 1.278 383 M HN -0.267 nan 8.290 nan 0.000 0.426 384 V N 0.847 120.801 119.914 0.067 0.000 2.252 384 V HA -0.391 3.740 4.120 0.017 0.000 0.255 384 V C 2.330 178.458 176.094 0.057 0.000 1.071 384 V CA 2.923 65.262 62.300 0.065 0.000 1.050 384 V CB -1.868 29.988 31.823 0.055 0.000 0.654 384 V HN 0.735 nan 8.190 nan 0.000 0.448 385 D N -1.308 119.120 120.400 0.046 0.000 2.277 385 D HA 0.097 4.747 4.640 0.017 0.000 0.208 385 D C 2.013 178.337 176.300 0.039 0.000 0.962 385 D CA 1.554 55.577 54.000 0.039 0.000 0.865 385 D CB -0.448 40.369 40.800 0.030 0.000 0.939 385 D HN 0.521 nan 8.370 nan 0.000 0.510 386 I N 0.455 121.047 120.570 0.036 0.000 2.142 386 I HA 0.011 4.191 4.170 0.017 0.000 0.240 386 I C 2.816 178.953 176.117 0.034 0.000 1.078 386 I CA 1.334 62.650 61.300 0.026 0.000 1.343 386 I CB -1.283 36.723 38.000 0.010 0.000 1.046 386 I HN 0.437 nan 8.210 nan 0.000 0.405 387 L N -0.964 120.283 121.223 0.039 0.000 2.043 387 L HA -0.285 4.066 4.340 0.017 0.000 0.212 387 L C 2.895 179.840 176.870 0.126 0.000 1.075 387 L CA 1.729 56.604 54.840 0.058 0.000 0.752 387 L CB -0.845 41.251 42.059 0.060 0.000 0.891 387 L HN 0.467 nan 8.230 nan 0.000 0.432 388 M N 0.621 120.294 119.600 0.123 0.000 2.088 388 M HA -0.256 4.234 4.480 0.017 0.000 0.256 388 M C 2.689 179.069 176.300 0.132 0.000 1.071 388 M CA 2.653 58.030 55.300 0.129 0.000 1.097 388 M CB -1.364 31.262 32.600 0.042 0.000 1.315 388 M HN 0.257 nan 8.290 nan 0.000 0.406 389 K N -0.258 120.192 120.400 0.084 0.000 2.103 389 K HA 0.016 4.346 4.320 0.017 0.000 0.204 389 K C 2.103 178.765 176.600 0.102 0.000 1.052 389 K CA 1.391 57.722 56.287 0.073 0.000 0.945 389 K CB -1.445 31.081 32.500 0.042 0.000 0.722 389 K HN 0.474 nan 8.250 nan 0.000 0.443 390 L N -0.941 120.340 121.223 0.096 0.000 1.978 390 L HA -0.151 4.199 4.340 0.017 0.000 0.218 390 L C 2.446 179.392 176.870 0.126 0.000 1.075 390 L CA 2.229 57.117 54.840 0.079 0.000 0.767 390 L CB -0.592 41.491 42.059 0.040 0.000 0.890 390 L HN 0.505 nan 8.230 nan 0.000 0.434 391 F N 0.423 120.376 119.950 0.004 0.000 2.054 391 F HA -0.466 4.071 4.527 0.017 0.000 0.294 391 F C 2.776 178.581 175.800 0.008 0.000 1.126 391 F CA 1.956 59.962 58.000 0.009 0.000 1.226 391 F CB -0.122 38.885 39.000 0.011 0.000 0.947 391 F HN -0.069 nan 8.300 nan 0.000 0.509 392 R N 0.394 121.133 120.500 0.397 0.000 2.154 392 R HA -0.303 4.048 4.340 0.017 0.000 0.236 392 R C 1.672 178.062 176.300 0.149 0.000 1.121 392 R CA 1.826 58.055 56.100 0.215 0.000 0.915 392 R CB -1.312 29.042 30.300 0.091 0.000 0.856 392 R HN 0.313 nan 8.270 nan 0.000 0.431 393 N N 0.864 119.624 118.700 0.100 0.000 2.919 393 N HA -0.166 4.585 4.740 0.017 0.000 0.206 393 N C -0.506 175.036 175.510 0.053 0.000 1.563 393 N CA 0.867 53.954 53.050 0.061 0.000 1.002 393 N CB 0.102 38.615 38.487 0.044 0.000 1.209 393 N HN 0.200 nan 8.380 nan 0.000 0.456 405 L N 0.515 121.967 121.223 0.381 0.000 4.168 405 L HA 0.657 5.007 4.340 0.017 0.000 0.240 405 L C -2.170 174.715 176.870 0.025 0.000 1.025 405 L CA -1.201 53.607 54.840 -0.054 0.000 1.024 405 L CB 0.187 42.188 42.059 -0.097 0.000 1.660 405 L HN 0.320 nan 8.230 nan 0.000 0.427 406 L N 2.150 123.298 121.223 -0.126 0.000 2.434 406 L HA 0.972 5.322 4.340 0.017 0.000 0.260 406 L C 0.090 176.932 176.870 -0.048 0.000 0.983 406 L CA -0.667 54.172 54.840 -0.003 0.000 0.820 406 L CB 2.409 44.582 42.059 0.191 0.000 1.361 406 L HN 1.203 nan 8.230 nan 0.000 0.410 407 S N 0.737 116.422 115.700 -0.025 0.000 2.537 407 S HA 0.723 5.203 4.470 0.017 0.000 0.271 407 S C -1.114 173.484 174.600 -0.004 0.000 1.148 407 S CA -0.835 57.359 58.200 -0.009 0.000 0.868 407 S CB 1.981 65.175 63.200 -0.010 0.000 1.115 407 S HN 0.199 nan 8.310 nan 0.000 0.461 408 V N 0.755 120.685 119.914 0.026 0.000 2.435 408 V HA 0.628 4.759 4.120 0.017 0.000 0.290 408 V C -0.053 176.068 176.094 0.044 0.000 1.030 408 V CA -0.776 61.531 62.300 0.013 0.000 0.881 408 V CB 1.038 32.885 31.823 0.040 0.000 0.983 408 V HN 1.141 nan 8.190 nan 0.000 0.445 409 C N 6.152 125.442 119.300 -0.017 0.000 2.319 409 C HA 0.691 5.161 4.460 0.017 0.000 0.323 409 C C -0.402 174.561 174.990 -0.046 0.000 1.277 409 C CA -0.677 58.365 59.018 0.040 0.000 1.517 409 C CB -0.342 27.421 27.740 0.038 0.000 2.206 409 C HN 0.750 nan 8.230 nan 0.000 0.486 410 F N 6.082 126.109 119.950 0.128 0.000 2.404 410 F HA 0.514 5.051 4.527 0.017 0.000 0.358 410 F C 1.138 177.033 175.800 0.158 0.000 1.120 410 F CA 0.041 58.128 58.000 0.144 0.000 1.144 410 F CB 0.626 39.733 39.000 0.178 0.000 1.133 410 F HN 0.909 nan 8.300 nan 0.000 0.495 411 C N 1.713 121.146 119.300 0.222 0.000 3.277 411 C HA 0.554 5.024 4.460 0.017 0.000 0.367 411 C C 0.541 175.623 174.990 0.154 0.000 1.949 411 C CA -1.122 57.998 59.018 0.169 0.000 1.428 411 C CB 1.475 29.270 27.740 0.091 0.000 2.409 411 C HN 0.918 nan 8.230 nan 0.000 0.460 412 N N 0.318 119.074 118.700 0.094 0.000 2.727 412 N HA -0.135 4.615 4.740 0.017 0.000 0.251 412 N C -0.727 174.811 175.510 0.047 0.000 1.040 412 N CA 0.097 53.186 53.050 0.064 0.000 0.712 412 N CB -0.336 38.199 38.487 0.080 0.000 0.912 412 N HN 0.647 nan 8.380 nan 0.000 0.545 413 L N 1.050 122.305 121.223 0.053 0.000 2.453 413 L HA 0.198 4.548 4.340 0.017 0.000 0.272 413 L C 0.891 177.722 176.870 -0.065 0.000 1.182 413 L CA 1.114 55.982 54.840 0.047 0.000 0.858 413 L CB 0.743 42.856 42.059 0.091 0.000 1.120 413 L HN 0.243 nan 8.230 nan 0.000 0.474 414 K N 0.000 120.330 120.400 -0.116 0.000 2.780 414 K HA 0.000 4.330 4.320 0.017 0.000 0.191 414 K CA 0.000 56.197 56.287 -0.150 0.000 0.838 414 K CB 0.000 32.282 32.500 -0.362 0.000 1.064 414 K HN 0.000 nan 8.250 nan 0.000 0.543