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 1ohv_1_D DATA FIRST_RESID 11 DATA SEQUENCE FDYDGPLMKT EVPGPRSREL MKQLNIIQNA EAVHFFCNYE ESRGNYLVDV DATA SEQUENCE DGNRMLDLYS QISSIPIGYS HPALVKLVQQ PQNVSTFINR PALGILPPEN DATA SEQUENCE FVEKLRESLL SVAPKGMSQL ITMACGSCSN ENAFKTIFMW YRSKERGQSA DATA SEQUENCE FSKEELETCM INQAPGCPDY SILSFMGAFH GRTMGCLATT HSKAIHKIDI DATA SEQUENCE PSFDWPIAPF PRLKYPLEEF VKENQQEEAR CLEEVEDLIV KYRKKKKTVA DATA SEQUENCE GIIVEPIQSE GGDNHASDDF FRKLRDISRK HGCAFLVDEV QTGGGSTGKF DATA SEQUENCE WAHEHWGLDD PADVMTFSKK MMTGGFFHKE EFRPNAPYRI FNTWLGDPSK DATA SEQUENCE NLLLAEVINI IKREDLLSNA AHAGKVLLTG LLDLQARYPQ FISRVRGRGT DATA SEQUENCE FCSFDTPDES IRNKLISIAR NKGVMLGGCG DKSIRFRPTL VFRDHHAHLF DATA SEQUENCE LNIFSDILAD F 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.781 175.800 -0.031 0.000 0.967 11 F CA 0.000 57.944 58.000 -0.093 0.000 1.383 11 F CB 0.000 38.925 39.000 -0.124 0.000 1.145 12 D N 0.823 121.228 120.400 0.008 0.000 2.570 12 D HA 0.673 5.313 4.640 0.001 0.000 0.244 12 D C -0.923 175.396 176.300 0.032 0.000 1.178 12 D CA -0.272 53.811 54.000 0.138 0.000 0.881 12 D CB 2.254 43.245 40.800 0.318 0.000 1.453 12 D HN 0.481 nan 8.370 nan 0.000 0.447 13 Y N -0.253 120.114 120.300 0.112 0.000 2.340 13 Y HA 0.367 4.917 4.550 0.001 0.000 0.327 13 Y C 1.872 177.696 175.900 -0.126 0.000 1.321 13 Y CA 0.641 58.650 58.100 -0.153 0.000 1.433 13 Y CB 0.812 38.970 38.460 -0.503 0.000 1.373 13 Y HN 0.552 nan 8.280 nan 0.000 0.538 14 D N -0.341 120.083 120.400 0.040 0.000 2.333 14 D HA 0.420 5.060 4.640 0.001 0.000 0.208 14 D C 0.737 177.068 176.300 0.053 0.000 0.984 14 D CA 1.015 55.045 54.000 0.050 0.000 0.873 14 D CB -0.017 40.800 40.800 0.029 0.000 0.935 14 D HN 0.839 nan 8.370 nan 0.000 0.521 15 G N -0.779 107.945 108.800 -0.126 0.000 2.316 15 G HA2 0.459 4.419 3.960 0.001 0.000 0.296 15 G HA3 0.459 4.419 3.960 0.001 0.000 0.296 15 G C -3.276 171.540 174.900 -0.139 0.000 1.399 15 G CA -0.217 44.896 45.100 0.022 0.000 0.833 15 G HN 0.076 nan 8.290 nan 0.000 0.565 16 P HA 0.569 nan 4.420 nan 0.000 0.274 16 P C -0.287 177.007 177.300 -0.010 0.000 1.231 16 P CA -0.092 63.078 63.100 0.116 0.000 0.790 16 P CB 1.312 33.145 31.700 0.221 0.000 0.951 17 L N 2.726 123.914 121.223 -0.059 0.000 2.541 17 L HA 0.617 4.957 4.340 0.001 0.000 0.266 17 L C -0.432 176.396 176.870 -0.070 0.000 0.966 17 L CA -0.915 53.883 54.840 -0.071 0.000 0.871 17 L CB 1.539 43.530 42.059 -0.112 0.000 1.232 17 L HN 0.228 nan 8.230 nan 0.000 0.408 18 M N 1.933 121.503 119.600 -0.049 0.000 2.300 18 M HA 0.546 5.026 4.480 0.001 0.000 0.348 18 M C 0.645 176.912 176.300 -0.055 0.000 1.151 18 M CA -0.316 54.949 55.300 -0.058 0.000 1.046 18 M CB 1.429 34.002 32.600 -0.045 0.000 1.647 18 M HN 0.754 nan 8.290 nan 0.000 0.451 19 K N 0.391 120.753 120.400 -0.064 0.000 2.399 19 K HA 0.146 4.467 4.320 0.001 0.000 0.196 19 K C 0.539 177.109 176.600 -0.049 0.000 1.117 19 K CA 0.510 56.765 56.287 -0.052 0.000 0.965 19 K CB 0.961 33.428 32.500 -0.054 0.000 0.983 19 K HN 0.877 nan 8.250 nan 0.000 0.531 20 T N -2.179 112.338 114.554 -0.060 0.000 2.812 20 T HA 0.455 4.805 4.350 0.001 0.000 0.294 20 T C -0.498 174.163 174.700 -0.064 0.000 1.159 20 T CA -0.774 61.293 62.100 -0.055 0.000 1.008 20 T CB 1.531 70.368 68.868 -0.052 0.000 1.289 20 T HN 0.052 nan 8.240 nan 0.000 0.514 21 E N -0.148 120.021 120.200 -0.052 0.000 2.422 21 E HA 0.543 4.893 4.350 0.001 0.000 0.260 21 E C -0.194 176.363 176.600 -0.072 0.000 1.108 21 E CA -0.531 55.837 56.400 -0.053 0.000 0.943 21 E CB 0.206 29.887 29.700 -0.033 0.000 0.961 21 E HN 0.864 nan 8.360 nan 0.000 0.443 22 V N 3.751 123.614 119.914 -0.084 0.000 2.487 22 V HA 0.508 4.628 4.120 0.001 0.000 0.298 22 V C -2.157 173.924 176.094 -0.022 0.000 1.028 22 V CA -1.515 60.717 62.300 -0.114 0.000 0.860 22 V CB 1.590 33.256 31.823 -0.261 0.000 0.991 22 V HN 0.869 nan 8.190 nan 0.000 0.427 23 P HA 0.297 nan 4.420 nan 0.000 0.275 23 P C 0.159 177.471 177.300 0.021 0.000 1.228 23 P CA 0.192 63.334 63.100 0.069 0.000 0.786 23 P CB 1.291 33.091 31.700 0.166 0.000 0.927 24 G N 2.344 111.145 108.800 0.002 0.000 2.543 24 G HA2 0.350 4.310 3.960 0.001 0.000 0.290 24 G HA3 0.350 4.310 3.960 0.001 0.000 0.290 24 G C -1.755 173.146 174.900 0.003 0.000 1.310 24 G CA -1.301 43.791 45.100 -0.013 0.000 1.025 24 G HN 0.224 nan 8.290 nan 0.000 0.502 25 P HA -0.097 nan 4.420 nan 0.000 0.215 25 P C 2.337 179.625 177.300 -0.021 0.000 1.153 25 P CA 2.514 65.606 63.100 -0.013 0.000 0.853 25 P CB 0.024 31.713 31.700 -0.018 0.000 0.788 26 R N -0.008 120.476 120.500 -0.025 0.000 2.075 26 R HA -0.051 4.289 4.340 0.001 0.000 0.232 26 R C 2.435 178.695 176.300 -0.067 0.000 1.126 26 R CA 2.208 58.279 56.100 -0.047 0.000 0.963 26 R CB -2.105 28.173 30.300 -0.037 0.000 0.858 26 R HN 0.193 nan 8.270 nan 0.000 0.435 27 S N 0.185 115.890 115.700 0.008 0.000 2.368 27 S HA -0.132 4.338 4.470 0.001 0.000 0.225 27 S C 2.191 176.819 174.600 0.046 0.000 1.030 27 S CA 1.370 59.624 58.200 0.090 0.000 0.999 27 S CB -0.235 63.110 63.200 0.242 0.000 0.844 27 S HN 0.642 nan 8.310 nan 0.000 0.459 28 R N 0.873 121.394 120.500 0.036 0.000 2.096 28 R HA -0.026 4.314 4.340 0.001 0.000 0.235 28 R C 2.333 178.621 176.300 -0.021 0.000 1.127 28 R CA 0.943 57.061 56.100 0.031 0.000 0.968 28 R CB -0.233 30.082 30.300 0.025 0.000 0.861 28 R HN 0.321 nan 8.270 nan 0.000 0.440 29 E N 1.186 121.347 120.200 -0.065 0.000 2.051 29 E HA -0.146 4.204 4.350 0.001 0.000 0.192 29 E C 2.054 178.552 176.600 -0.170 0.000 0.991 29 E CA 1.180 57.523 56.400 -0.094 0.000 0.799 29 E CB -0.028 29.616 29.700 -0.093 0.000 0.748 29 E HN 0.291 nan 8.360 nan 0.000 0.449 30 L N -0.164 120.855 121.223 -0.340 0.000 2.093 30 L HA -0.147 4.194 4.340 0.001 0.000 0.208 30 L C 2.747 179.351 176.870 -0.442 0.000 1.085 30 L CA 0.846 55.281 54.840 -0.676 0.000 0.755 30 L CB -0.320 40.795 42.059 -1.574 0.000 0.904 30 L HN 0.146 nan 8.230 nan 0.000 0.435 31 M N -0.592 118.938 119.600 -0.117 0.000 2.159 31 M HA -0.235 4.245 4.480 0.001 0.000 0.263 31 M C 2.643 179.002 176.300 0.098 0.000 1.063 31 M CA 1.778 57.205 55.300 0.212 0.000 1.110 31 M CB -0.334 32.406 32.600 0.234 0.000 1.374 31 M HN 0.062 nan 8.290 nan 0.000 0.411 32 K N 0.295 120.709 120.400 0.024 0.000 2.026 32 K HA -0.168 4.152 4.320 0.001 0.000 0.208 32 K C 1.705 178.314 176.600 0.014 0.000 1.048 32 K CA 1.844 58.141 56.287 0.018 0.000 0.929 32 K CB -0.535 31.963 32.500 -0.003 0.000 0.713 32 K HN 0.593 nan 8.250 nan 0.000 0.439 33 Q N -0.345 119.446 119.800 -0.016 0.000 2.030 33 Q HA -0.103 4.237 4.340 0.001 0.000 0.204 33 Q C 2.278 178.299 176.000 0.036 0.000 0.986 33 Q CA 1.966 57.764 55.803 -0.008 0.000 0.843 33 Q CB -0.371 28.337 28.738 -0.049 0.000 0.904 33 Q HN 0.356 nan 8.270 nan 0.000 0.420 34 L N 1.334 122.607 121.223 0.084 0.000 2.127 34 L HA -0.191 4.149 4.340 0.001 0.000 0.211 34 L C 1.752 178.679 176.870 0.094 0.000 1.089 34 L CA 1.792 56.713 54.840 0.135 0.000 0.757 34 L CB -0.593 41.633 42.059 0.277 0.000 0.899 34 L HN 0.173 nan 8.230 nan 0.000 0.434 35 N N -0.676 118.073 118.700 0.083 0.000 2.289 35 N HA -0.186 4.554 4.740 0.001 0.000 0.184 35 N C 1.680 177.216 175.510 0.043 0.000 1.016 35 N CA 1.093 54.179 53.050 0.060 0.000 0.872 35 N CB -0.095 38.425 38.487 0.056 0.000 0.973 35 N HN 0.300 nan 8.380 nan 0.000 0.433 36 I N 0.261 120.853 120.570 0.037 0.000 2.264 36 I HA -0.214 3.957 4.170 0.001 0.000 0.248 36 I C 1.766 177.900 176.117 0.029 0.000 1.111 36 I CA 1.187 62.504 61.300 0.028 0.000 1.382 36 I CB -0.723 37.290 38.000 0.022 0.000 1.060 36 I HN 0.257 nan 8.210 nan 0.000 0.418 37 I N -0.929 119.662 120.570 0.036 0.000 3.462 37 I HA -0.044 4.126 4.170 0.001 0.000 0.290 37 I C 0.832 176.968 176.117 0.032 0.000 1.236 37 I CA 0.231 61.551 61.300 0.033 0.000 1.418 37 I CB 0.278 38.301 38.000 0.040 0.000 1.102 37 I HN 0.343 nan 8.210 nan 0.000 0.441 38 Q N -0.623 119.199 119.800 0.036 0.000 2.633 38 Q HA 0.238 4.578 4.340 0.001 0.000 0.289 38 Q C -1.024 174.996 176.000 0.034 0.000 0.940 38 Q CA -0.903 54.919 55.803 0.031 0.000 0.785 38 Q CB 0.756 29.511 28.738 0.028 0.000 1.467 38 Q HN -0.102 nan 8.270 nan 0.000 0.401 39 N N 0.135 118.852 118.700 0.028 0.000 2.452 39 N HA 0.176 4.916 4.740 0.001 0.000 0.266 39 N C -0.677 174.852 175.510 0.032 0.000 1.209 39 N CA 0.912 53.980 53.050 0.030 0.000 0.929 39 N CB 1.328 39.831 38.487 0.026 0.000 1.063 39 N HN 0.682 nan 8.380 nan 0.000 0.472 40 A N 3.653 126.498 122.820 0.043 0.000 2.564 40 A HA 0.159 4.480 4.320 0.001 0.000 0.279 40 A C 1.297 178.913 177.584 0.053 0.000 1.232 40 A CA -0.331 51.735 52.037 0.049 0.000 0.950 40 A CB 0.048 19.099 19.000 0.085 0.000 1.138 40 A HN 0.787 nan 8.150 nan 0.000 0.526 41 E N 0.224 120.452 120.200 0.047 0.000 2.204 41 E HA -0.146 4.204 4.350 0.001 0.000 0.195 41 E C 2.059 178.695 176.600 0.060 0.000 0.990 41 E CA 1.015 57.446 56.400 0.052 0.000 0.821 41 E CB -0.075 29.650 29.700 0.042 0.000 0.750 41 E HN 0.666 nan 8.360 nan 0.000 0.477 42 A N 1.096 123.944 122.820 0.047 0.000 2.066 42 A HA -0.029 4.291 4.320 0.001 0.000 0.218 42 A C 1.247 178.877 177.584 0.076 0.000 1.157 42 A CA 0.229 52.300 52.037 0.058 0.000 0.670 42 A CB -0.082 18.925 19.000 0.012 0.000 0.804 42 A HN 0.033 nan 8.150 nan 0.000 0.453 43 V N 1.669 121.600 119.914 0.029 0.000 2.509 43 V HA -0.042 4.078 4.120 0.001 0.000 0.297 43 V C 1.399 177.584 176.094 0.152 0.000 1.014 43 V CA 0.302 62.591 62.300 -0.019 0.000 1.127 43 V CB -0.106 31.698 31.823 -0.033 0.000 0.925 43 V HN 0.587 nan 8.190 nan 0.000 0.480 44 H N 5.303 124.296 119.070 -0.129 0.000 2.317 44 H HA 0.248 4.804 4.556 0.001 0.000 0.304 44 H C 0.248 175.679 175.328 0.171 0.000 1.067 44 H CA 1.383 57.411 56.048 -0.033 0.000 1.352 44 H CB 0.029 29.675 29.762 -0.193 0.000 1.398 44 H HN 0.685 nan 8.280 nan 0.000 0.510 45 F N -3.923 116.107 119.950 0.133 0.000 2.842 45 F HA 0.422 4.949 4.527 0.001 0.000 0.319 45 F C -1.574 174.263 175.800 0.062 0.000 1.159 45 F CA -1.836 56.247 58.000 0.138 0.000 0.902 45 F CB 0.579 39.642 39.000 0.105 0.000 1.311 45 F HN -0.296 nan 8.300 nan 0.000 0.453 46 F N 1.249 121.317 119.950 0.198 0.000 2.379 46 F HA 0.663 5.190 4.527 0.000 0.000 0.332 46 F C 0.234 176.098 175.800 0.106 0.000 1.096 46 F CA -0.689 57.359 58.000 0.079 0.000 1.105 46 F CB 1.441 40.478 39.000 0.062 0.000 1.189 46 F HN 0.660 nan 8.300 nan 0.000 0.515 47 C N 2.179 121.528 119.300 0.081 0.000 2.529 47 C HA 0.390 4.850 4.460 0.001 0.000 0.329 47 C C 0.009 174.883 174.990 -0.193 0.000 1.194 47 C CA -1.068 57.840 59.018 -0.183 0.000 1.779 47 C CB 1.570 28.833 27.740 -0.795 0.000 2.322 47 C HN 0.702 nan 8.230 nan 0.000 0.500 48 N N 0.479 119.044 118.700 -0.226 0.000 2.955 48 N HA 0.233 4.973 4.740 0.001 0.000 0.242 48 N C 0.106 175.505 175.510 -0.185 0.000 1.123 48 N CA -0.187 52.792 53.050 -0.119 0.000 0.949 48 N CB 0.009 38.469 38.487 -0.046 0.000 1.214 48 N HN 0.637 nan 8.380 nan 0.000 0.504 49 Y N 1.147 121.440 120.300 -0.012 0.000 2.352 49 Y HA -0.075 4.475 4.550 0.001 0.000 0.292 49 Y C 1.709 177.618 175.900 0.014 0.000 1.136 49 Y CA 0.829 58.905 58.100 -0.041 0.000 1.227 49 Y CB 0.256 38.704 38.460 -0.020 0.000 0.991 49 Y HN 0.429 nan 8.280 nan 0.000 0.545 50 E N -0.137 120.155 120.200 0.154 0.000 2.160 50 E HA -0.150 4.200 4.350 0.001 0.000 0.195 50 E C 2.025 178.687 176.600 0.104 0.000 0.991 50 E CA 1.519 57.987 56.400 0.113 0.000 0.810 50 E CB -0.172 29.576 29.700 0.081 0.000 0.742 50 E HN 0.260 nan 8.360 nan 0.000 0.466 51 E N -0.354 119.901 120.200 0.092 0.000 2.472 51 E HA 0.189 4.539 4.350 0.001 0.000 0.196 51 E C 0.123 176.843 176.600 0.201 0.000 1.033 51 E CA -0.024 56.453 56.400 0.129 0.000 0.886 51 E CB 0.671 30.428 29.700 0.095 0.000 0.944 51 E HN 0.139 nan 8.360 nan 0.000 0.492 52 S N 1.418 117.197 115.700 0.132 0.000 2.548 52 S HA 0.468 4.938 4.470 0.001 0.000 0.277 52 S C 0.174 174.965 174.600 0.318 0.000 1.315 52 S CA -0.208 58.086 58.200 0.156 0.000 1.050 52 S CB 0.623 63.718 63.200 -0.175 0.000 0.918 52 S HN 0.246 nan 8.310 nan 0.000 0.497 53 R N 0.831 121.607 120.500 0.460 0.000 2.584 53 R HA 0.537 4.877 4.340 0.001 0.000 0.276 53 R C 0.765 177.316 176.300 0.419 0.000 1.046 53 R CA -0.230 56.077 56.100 0.345 0.000 0.906 53 R CB 1.702 32.038 30.300 0.060 0.000 1.215 53 R HN 0.882 nan 8.270 nan 0.000 0.449 54 G N 2.680 111.647 108.800 0.279 0.000 2.665 54 G HA2 -0.457 3.504 3.960 0.001 0.000 0.326 54 G HA3 -0.457 3.504 3.960 0.001 0.000 0.326 54 G C 0.446 175.459 174.900 0.188 0.000 1.231 54 G CA 1.002 46.227 45.100 0.209 0.000 0.992 54 G HN 0.708 nan 8.290 nan 0.000 0.549 55 N N 0.101 118.863 118.700 0.103 0.000 2.461 55 N HA 0.276 5.016 4.740 0.001 0.000 0.188 55 N C -0.231 175.192 175.510 -0.144 0.000 1.134 55 N CA 0.341 53.301 53.050 -0.150 0.000 0.878 55 N CB 0.148 38.289 38.487 -0.576 0.000 0.972 55 N HN 0.440 nan 8.380 nan 0.000 0.456 56 Y N 0.505 121.006 120.300 0.336 0.000 2.328 56 Y HA 0.391 4.941 4.550 0.000 0.000 0.337 56 Y C -0.396 175.633 175.900 0.215 0.000 0.966 56 Y CA -1.200 57.065 58.100 0.274 0.000 1.136 56 Y CB 1.029 39.640 38.460 0.251 0.000 1.170 56 Y HN -0.099 nan 8.280 nan 0.000 0.470 57 L N 4.861 126.201 121.223 0.194 0.000 2.275 57 L HA 0.625 4.965 4.340 0.001 0.000 0.288 57 L C -0.966 175.873 176.870 -0.051 0.000 1.046 57 L CA -0.567 54.221 54.840 -0.086 0.000 0.805 57 L CB 0.907 42.961 42.059 -0.010 0.000 1.193 57 L HN 0.412 nan 8.230 nan 0.000 0.426 58 V N 4.965 124.797 119.914 -0.136 0.000 2.427 58 V HA 0.397 4.518 4.120 0.001 0.000 0.286 58 V C -0.229 175.796 176.094 -0.114 0.000 1.034 58 V CA -0.759 61.471 62.300 -0.116 0.000 0.893 58 V CB 1.483 33.248 31.823 -0.095 0.000 0.982 58 V HN 0.902 nan 8.190 nan 0.000 0.452 59 D N 3.803 124.153 120.400 -0.082 0.000 2.466 59 D HA 0.196 4.837 4.640 0.001 0.000 0.262 59 D C 1.106 177.401 176.300 -0.008 0.000 1.177 59 D CA -0.237 53.762 54.000 -0.001 0.000 1.035 59 D CB 1.349 42.108 40.800 -0.069 0.000 1.105 59 D HN 0.316 nan 8.370 nan 0.000 0.551 60 V N -2.989 116.958 119.914 0.055 0.000 3.141 60 V HA -0.004 4.116 4.120 0.001 0.000 0.265 60 V C 0.717 176.811 176.094 -0.001 0.000 1.126 60 V CA 1.242 63.563 62.300 0.035 0.000 1.141 60 V CB -0.619 31.244 31.823 0.067 0.000 0.743 60 V HN 0.439 nan 8.190 nan 0.000 0.492 61 D N 0.837 121.226 120.400 -0.019 0.000 2.340 61 D HA 0.265 4.906 4.640 0.001 0.000 0.217 61 D C 1.784 178.051 176.300 -0.054 0.000 1.081 61 D CA 0.942 54.919 54.000 -0.038 0.000 0.842 61 D CB 0.803 41.575 40.800 -0.047 0.000 0.934 61 D HN 0.705 nan 8.370 nan 0.000 0.511 62 G N 1.473 110.237 108.800 -0.059 0.000 2.176 62 G HA2 -0.251 3.710 3.960 0.001 0.000 0.253 62 G HA3 -0.251 3.710 3.960 0.001 0.000 0.253 62 G C 0.331 175.172 174.900 -0.098 0.000 0.979 62 G CA -0.412 44.647 45.100 -0.069 0.000 0.641 62 G HN 0.214 nan 8.290 nan 0.000 0.530 63 N N 0.389 119.019 118.700 -0.118 0.000 2.492 63 N HA 0.327 5.068 4.740 0.001 0.000 0.262 63 N C 0.269 175.690 175.510 -0.148 0.000 1.202 63 N CA 0.221 53.186 53.050 -0.141 0.000 0.926 63 N CB 0.910 39.283 38.487 -0.190 0.000 1.078 63 N HN 0.536 nan 8.380 nan 0.000 0.454 64 R N 2.629 123.048 120.500 -0.134 0.000 2.371 64 R HA 0.348 4.688 4.340 0.001 0.000 0.312 64 R C -0.943 175.366 176.300 0.015 0.000 0.980 64 R CA -0.424 55.602 56.100 -0.124 0.000 0.867 64 R CB 0.517 30.640 30.300 -0.295 0.000 1.163 64 R HN 0.503 nan 8.270 nan 0.000 0.492 65 M N 4.141 123.790 119.600 0.081 0.000 2.404 65 M HA 0.274 4.755 4.480 0.001 0.000 0.338 65 M C -0.580 175.853 176.300 0.221 0.000 1.150 65 M CA -1.182 54.203 55.300 0.142 0.000 1.016 65 M CB 1.885 34.518 32.600 0.055 0.000 1.672 65 M HN 0.396 nan 8.290 nan 0.000 0.448 66 L N 3.075 124.403 121.223 0.174 0.000 2.500 66 L HA 0.121 4.461 4.340 0.001 0.000 0.272 66 L C -0.486 176.380 176.870 -0.007 0.000 1.149 66 L CA 0.571 55.348 54.840 -0.106 0.000 0.897 66 L CB -0.100 41.987 42.059 0.046 0.000 1.178 66 L HN 0.504 nan 8.230 nan 0.000 0.473 67 D N 5.286 125.664 120.400 -0.036 0.000 2.428 67 D HA 0.176 4.816 4.640 0.001 0.000 0.221 67 D C 0.312 176.614 176.300 0.004 0.000 1.123 67 D CA -0.067 53.980 54.000 0.078 0.000 0.869 67 D CB 0.533 41.473 40.800 0.234 0.000 1.032 67 D HN 0.630 nan 8.370 nan 0.000 0.506 68 L N 3.568 124.782 121.223 -0.015 0.000 2.791 68 L HA 0.134 4.474 4.340 0.001 0.000 0.239 68 L C 0.498 177.324 176.870 -0.072 0.000 1.203 68 L CA -0.207 54.563 54.840 -0.116 0.000 1.002 68 L CB -0.064 41.907 42.059 -0.145 0.000 1.295 68 L HN 0.398 nan 8.230 nan 0.000 0.504 69 Y N 0.869 121.075 120.300 -0.157 0.000 2.581 69 Y HA -0.008 4.542 4.550 0.001 0.000 0.271 69 Y C 1.670 177.493 175.900 -0.128 0.000 1.100 69 Y CA 0.013 58.016 58.100 -0.162 0.000 1.281 69 Y CB 0.533 38.930 38.460 -0.106 0.000 1.237 69 Y HN 0.318 nan 8.280 nan 0.000 0.514 70 S N 1.460 117.123 115.700 -0.062 0.000 3.631 70 S HA -0.280 4.190 4.470 0.001 0.000 0.366 70 S C -0.184 174.296 174.600 -0.200 0.000 0.993 70 S CA 0.733 58.853 58.200 -0.134 0.000 1.167 70 S CB -2.350 60.719 63.200 -0.218 0.000 0.909 70 S HN 0.618 nan 8.310 nan 0.000 0.478 71 Q N -0.661 119.053 119.800 -0.144 0.000 2.463 71 Q HA -0.228 4.113 4.340 0.001 0.000 0.299 71 Q C 0.828 176.596 176.000 -0.386 0.000 1.353 71 Q CA 1.214 56.909 55.803 -0.180 0.000 0.828 71 Q CB -2.644 26.057 28.738 -0.061 0.000 1.157 71 Q HN 1.756 nan 8.270 nan 0.000 0.436 72 I N -2.510 117.558 120.570 -0.837 0.000 6.341 72 I HA -0.312 3.858 4.170 0.001 0.000 0.126 72 I C 0.553 176.351 176.117 -0.532 0.000 1.823 72 I CA 0.965 61.714 61.300 -0.918 0.000 2.045 72 I CB -2.160 35.544 38.000 -0.492 0.000 3.471 72 I HN 0.509 nan 8.210 nan 0.000 0.172 73 S N 0.175 115.575 115.700 -0.500 0.000 3.672 73 S HA -0.192 4.279 4.470 0.001 0.000 0.319 73 S C 1.115 175.593 174.600 -0.203 0.000 1.151 73 S CA 1.263 59.276 58.200 -0.312 0.000 0.911 73 S CB -0.913 62.126 63.200 -0.269 0.000 0.939 73 S HN 1.252 nan 8.310 nan 0.000 0.524 74 S N -0.602 114.978 115.700 -0.200 0.000 2.603 74 S HA 0.433 4.904 4.470 0.001 0.000 0.232 74 S C 0.263 174.785 174.600 -0.130 0.000 1.016 74 S CA -0.440 57.680 58.200 -0.132 0.000 0.976 74 S CB 0.311 63.444 63.200 -0.113 0.000 0.921 74 S HN 0.463 nan 8.310 nan 0.000 0.516 75 I N 4.443 124.908 120.570 -0.174 0.000 2.287 75 I HA 0.332 4.503 4.170 0.001 0.000 0.290 75 I C -1.558 174.439 176.117 -0.200 0.000 1.069 75 I CA -2.259 58.919 61.300 -0.204 0.000 1.237 75 I CB 0.999 38.794 38.000 -0.341 0.000 1.418 75 I HN 0.081 nan 8.210 nan 0.000 0.481 76 P HA -0.042 nan 4.420 nan 0.000 0.215 76 P C 0.925 178.145 177.300 -0.134 0.000 1.157 76 P CA 1.420 64.432 63.100 -0.147 0.000 0.856 76 P CB 0.550 32.175 31.700 -0.125 0.000 0.786 77 I N -5.141 115.360 120.570 -0.115 0.000 3.326 77 I HA 0.652 4.822 4.170 0.001 0.000 0.336 77 I C 0.213 176.347 176.117 0.028 0.000 1.543 77 I CA -0.619 60.650 61.300 -0.051 0.000 1.013 77 I CB 0.354 38.286 38.000 -0.113 0.000 1.468 77 I HN 0.040 nan 8.210 nan 0.000 0.515 78 G N 1.204 109.938 108.800 -0.111 0.000 2.756 78 G HA2 -0.236 3.725 3.960 0.001 0.000 0.678 78 G HA3 -0.236 3.725 3.960 0.001 0.000 0.678 78 G C -0.879 173.933 174.900 -0.146 0.000 1.349 78 G CA -0.768 44.233 45.100 -0.165 0.000 0.847 78 G HN 0.379 nan 8.290 nan 0.000 0.548 79 Y N 0.453 120.831 120.300 0.131 0.000 2.336 79 Y HA 0.404 4.954 4.550 0.000 0.000 0.331 79 Y C 1.801 177.784 175.900 0.139 0.000 1.211 79 Y CA 0.933 59.124 58.100 0.151 0.000 1.346 79 Y CB 1.391 39.973 38.460 0.204 0.000 1.271 79 Y HN 1.110 nan 8.280 nan 0.000 0.538 80 S N 0.844 116.719 115.700 0.292 0.000 3.549 80 S HA -0.262 4.208 4.470 0.001 0.000 0.366 80 S C -0.164 174.522 174.600 0.144 0.000 1.012 80 S CA 0.399 58.713 58.200 0.189 0.000 1.141 80 S CB -1.843 61.457 63.200 0.166 0.000 0.910 80 S HN 0.705 nan 8.310 nan 0.000 0.471 81 H N 1.696 120.811 119.070 0.076 0.000 3.004 81 H HA 0.081 4.637 4.556 0.000 0.000 0.316 81 H C -1.541 173.811 175.328 0.040 0.000 1.014 81 H CA -1.072 55.005 56.048 0.048 0.000 1.454 81 H CB 0.781 30.559 29.762 0.027 0.000 1.472 81 H HN 0.066 nan 8.280 nan 0.000 0.571 82 P HA -0.140 nan 4.420 nan 0.000 0.217 82 P C 1.090 178.490 177.300 0.166 0.000 1.148 82 P CA 1.920 65.046 63.100 0.044 0.000 0.828 82 P CB 0.125 31.788 31.700 -0.061 0.000 0.783 83 A N -0.849 122.197 122.820 0.377 0.000 1.969 83 A HA -0.121 4.199 4.320 0.001 0.000 0.218 83 A C 2.148 179.815 177.584 0.139 0.000 1.169 83 A CA 1.230 53.401 52.037 0.224 0.000 0.635 83 A CB -1.444 17.662 19.000 0.176 0.000 0.810 83 A HN 0.134 nan 8.150 nan 0.000 0.445 84 L N -0.832 120.488 121.223 0.162 0.000 2.131 84 L HA -0.088 4.252 4.340 0.001 0.000 0.206 84 L C 2.458 179.387 176.870 0.099 0.000 1.087 84 L CA 0.602 55.505 54.840 0.105 0.000 0.767 84 L CB -0.591 41.526 42.059 0.096 0.000 0.917 84 L HN 0.208 nan 8.230 nan 0.000 0.441 85 V N 0.935 120.909 119.914 0.099 0.000 2.287 85 V HA -0.360 3.760 4.120 0.001 0.000 0.248 85 V C 3.177 179.303 176.094 0.054 0.000 1.053 85 V CA 2.614 64.951 62.300 0.062 0.000 1.027 85 V CB -1.038 30.817 31.823 0.054 0.000 0.646 85 V HN 0.567 nan 8.190 nan 0.000 0.447 86 K N -0.238 120.200 120.400 0.064 0.000 2.063 86 K HA -0.148 4.173 4.320 0.001 0.000 0.208 86 K C 2.031 178.669 176.600 0.065 0.000 1.048 86 K CA 1.999 58.319 56.287 0.056 0.000 0.928 86 K CB -0.990 31.543 32.500 0.055 0.000 0.713 86 K HN 0.519 nan 8.250 nan 0.000 0.442 87 L N 0.477 121.750 121.223 0.083 0.000 2.012 87 L HA -0.197 4.143 4.340 0.001 0.000 0.210 87 L C 2.613 179.579 176.870 0.161 0.000 1.073 87 L CA 1.360 56.268 54.840 0.113 0.000 0.748 87 L CB -0.591 41.546 42.059 0.130 0.000 0.891 87 L HN 0.239 nan 8.230 nan 0.000 0.431 88 V N -0.643 119.346 119.914 0.126 0.000 2.515 88 V HA -0.265 3.855 4.120 0.001 0.000 0.250 88 V C 2.313 178.419 176.094 0.020 0.000 1.058 88 V CA 1.501 63.825 62.300 0.040 0.000 1.064 88 V CB -0.532 31.213 31.823 -0.130 0.000 0.675 88 V HN 0.513 nan 8.190 nan 0.000 0.461 89 Q N -0.612 119.205 119.800 0.029 0.000 2.369 89 Q HA -0.069 4.272 4.340 0.001 0.000 0.206 89 Q C 0.520 176.543 176.000 0.039 0.000 0.963 89 Q CA 0.386 56.202 55.803 0.022 0.000 0.894 89 Q CB -0.007 28.743 28.738 0.020 0.000 0.965 89 Q HN 0.545 nan 8.270 nan 0.000 0.475 90 Q N 0.815 120.652 119.800 0.062 0.000 2.281 90 Q HA 0.046 4.386 4.340 0.001 0.000 0.267 90 Q C -1.796 174.243 176.000 0.066 0.000 1.053 90 Q CA -1.600 54.239 55.803 0.059 0.000 0.905 90 Q CB 0.539 29.314 28.738 0.062 0.000 1.195 90 Q HN 0.044 nan 8.270 nan 0.000 0.398 91 P HA -0.195 nan 4.420 nan 0.000 0.217 91 P C 0.624 177.956 177.300 0.052 0.000 1.148 91 P CA 1.318 64.446 63.100 0.046 0.000 0.828 91 P CB 0.443 32.162 31.700 0.032 0.000 0.783 92 Q N -1.152 118.675 119.800 0.046 0.000 2.291 92 Q HA -0.090 4.250 4.340 0.001 0.000 0.206 92 Q C 1.379 177.405 176.000 0.043 0.000 0.976 92 Q CA 1.054 56.879 55.803 0.037 0.000 0.875 92 Q CB -0.801 27.952 28.738 0.026 0.000 0.927 92 Q HN 0.312 nan 8.270 nan 0.000 0.450 93 N N -0.896 117.851 118.700 0.077 0.000 2.336 93 N HA 0.032 4.772 4.740 0.001 0.000 0.189 93 N C 1.170 176.784 175.510 0.173 0.000 1.113 93 N CA 0.136 53.240 53.050 0.090 0.000 0.858 93 N CB 0.361 38.941 38.487 0.155 0.000 0.970 93 N HN 0.057 nan 8.380 nan 0.000 0.471 94 V N 0.512 120.529 119.914 0.172 0.000 2.252 94 V HA -0.257 3.863 4.120 0.001 0.000 0.249 94 V C 2.466 178.654 176.094 0.157 0.000 1.056 94 V CA 2.039 64.457 62.300 0.197 0.000 1.022 94 V CB -0.787 31.098 31.823 0.104 0.000 0.641 94 V HN 0.351 nan 8.190 nan 0.000 0.445 95 S N -0.604 115.138 115.700 0.070 0.000 2.374 95 S HA -0.263 4.207 4.470 0.001 0.000 0.227 95 S C 2.056 176.647 174.600 -0.015 0.000 1.037 95 S CA 2.417 60.633 58.200 0.028 0.000 1.024 95 S CB -0.509 62.696 63.200 0.008 0.000 0.861 95 S HN 0.721 nan 8.310 nan 0.000 0.456 96 T N 0.912 115.415 114.554 -0.086 0.000 2.759 96 T HA -0.074 4.276 4.350 0.001 0.000 0.269 96 T C 1.215 175.743 174.700 -0.287 0.000 1.042 96 T CA 1.672 63.633 62.100 -0.232 0.000 1.140 96 T CB -0.466 68.169 68.868 -0.388 0.000 0.864 96 T HN 0.539 nan 8.240 nan 0.000 0.455 97 F N 0.557 120.487 119.950 -0.034 0.000 2.512 97 F HA 0.275 4.802 4.527 0.000 0.000 0.296 97 F C 1.943 177.709 175.800 -0.057 0.000 1.110 97 F CA 0.234 58.205 58.000 -0.048 0.000 1.446 97 F CB -0.134 38.844 39.000 -0.035 0.000 1.092 97 F HN 0.202 nan 8.300 nan 0.000 0.554 98 I N -4.008 116.630 120.570 0.114 0.000 4.139 98 I HA 0.290 4.461 4.170 0.001 0.000 0.335 98 I C -0.258 175.867 176.117 0.013 0.000 1.327 98 I CA 0.058 61.392 61.300 0.056 0.000 1.112 98 I CB 0.143 38.179 38.000 0.060 0.000 1.058 98 I HN -0.185 nan 8.210 nan 0.000 0.396 99 N N 3.514 122.211 118.700 -0.006 0.000 2.898 99 N HA 0.286 5.027 4.740 0.001 0.000 0.245 99 N C -0.953 174.530 175.510 -0.045 0.000 1.185 99 N CA -0.203 52.838 53.050 -0.014 0.000 0.879 99 N CB 1.263 39.746 38.487 -0.007 0.000 1.157 99 N HN 0.296 nan 8.380 nan 0.000 0.503 100 R N 2.147 122.608 120.500 -0.064 0.000 2.248 100 R HA 0.306 4.646 4.340 0.001 0.000 0.328 100 R C -2.219 174.070 176.300 -0.018 0.000 1.067 100 R CA -0.908 55.116 56.100 -0.125 0.000 0.924 100 R CB 0.465 30.577 30.300 -0.313 0.000 1.013 100 R HN 0.184 nan 8.270 nan 0.000 0.454 101 P HA 0.216 nan 4.420 nan 0.000 0.284 101 P C -1.391 175.984 177.300 0.125 0.000 1.258 101 P CA -0.687 62.429 63.100 0.028 0.000 0.824 101 P CB 1.577 33.240 31.700 -0.061 0.000 1.038 102 A N 2.619 125.508 122.820 0.114 0.000 2.671 102 A HA 0.163 4.484 4.320 0.001 0.000 0.306 102 A C 1.405 178.962 177.584 -0.045 0.000 1.473 102 A CA -0.349 51.732 52.037 0.073 0.000 1.155 102 A CB -1.251 17.787 19.000 0.063 0.000 1.123 102 A HN 0.625 nan 8.150 nan 0.000 0.545 103 L N 2.258 123.408 121.223 -0.122 0.000 2.127 103 L HA -0.197 4.144 4.340 0.001 0.000 0.211 103 L C 2.630 179.346 176.870 -0.257 0.000 1.089 103 L CA 1.483 56.145 54.840 -0.297 0.000 0.757 103 L CB -0.249 41.589 42.059 -0.368 0.000 0.899 103 L HN 0.770 nan 8.230 nan 0.000 0.434 104 G N 0.385 109.063 108.800 -0.203 0.000 2.471 104 G HA2 -0.169 3.791 3.960 0.001 0.000 0.219 104 G HA3 -0.169 3.791 3.960 0.001 0.000 0.219 104 G C 1.445 176.430 174.900 0.141 0.000 1.125 104 G CA 0.987 46.056 45.100 -0.051 0.000 0.775 104 G HN 0.611 nan 8.290 nan 0.000 0.548 105 I N -4.122 116.520 120.570 0.120 0.000 4.124 105 I HA 0.452 4.623 4.170 0.001 0.000 0.311 105 I C 0.505 176.648 176.117 0.044 0.000 1.259 105 I CA 0.125 61.502 61.300 0.128 0.000 1.315 105 I CB 0.527 38.651 38.000 0.207 0.000 1.223 105 I HN -0.137 nan 8.210 nan 0.000 0.441 106 L N 4.339 125.559 121.223 -0.006 0.000 2.625 106 L HA 0.512 4.852 4.340 0.001 0.000 0.255 106 L C -2.570 174.247 176.870 -0.089 0.000 1.493 106 L CA -1.442 53.384 54.840 -0.024 0.000 0.796 106 L CB 0.768 42.831 42.059 0.006 0.000 1.064 106 L HN -0.007 nan 8.230 nan 0.000 0.516 107 P HA 0.246 nan 4.420 nan 0.000 0.272 107 P C -2.458 174.775 177.300 -0.112 0.000 1.223 107 P CA -0.964 61.974 63.100 -0.271 0.000 0.784 107 P CB -0.111 31.382 31.700 -0.346 0.000 0.923 108 P HA 0.111 nan 4.420 nan 0.000 0.274 108 P C 0.928 178.261 177.300 0.056 0.000 1.237 108 P CA -0.174 62.923 63.100 -0.005 0.000 0.793 108 P CB 1.025 32.727 31.700 0.002 0.000 0.977 109 E N 2.102 122.326 120.200 0.040 0.000 2.114 109 E HA -0.263 4.088 4.350 0.001 0.000 0.199 109 E C 1.253 177.892 176.600 0.065 0.000 1.008 109 E CA 1.878 58.306 56.400 0.047 0.000 0.810 109 E CB -0.280 29.436 29.700 0.027 0.000 0.739 109 E HN 0.649 nan 8.360 nan 0.000 0.456 110 N N -0.819 117.920 118.700 0.065 0.000 2.370 110 N HA -0.077 4.663 4.740 0.001 0.000 0.198 110 N C 1.442 177.005 175.510 0.088 0.000 1.156 110 N CA -0.196 52.886 53.050 0.053 0.000 0.839 110 N CB -0.097 38.404 38.487 0.022 0.000 0.989 110 N HN 0.070 nan 8.380 nan 0.000 0.468 111 F N 1.657 121.588 119.950 -0.032 0.000 2.069 111 F HA -0.139 4.389 4.527 0.000 0.000 0.298 111 F C 1.923 177.702 175.800 -0.035 0.000 1.113 111 F CA 1.151 59.130 58.000 -0.036 0.000 1.214 111 F CB -0.381 38.601 39.000 -0.031 0.000 0.978 111 F HN -0.089 nan 8.300 nan 0.000 0.474 112 V N 0.357 120.212 119.914 -0.098 0.000 2.358 112 V HA -0.216 3.905 4.120 0.001 0.000 0.246 112 V C 2.709 178.704 176.094 -0.166 0.000 1.047 112 V CA 2.269 64.449 62.300 -0.200 0.000 1.035 112 V CB -1.733 30.047 31.823 -0.072 0.000 0.658 112 V HN 0.487 nan 8.190 nan 0.000 0.452 113 E N 0.698 120.844 120.200 -0.090 0.000 2.072 113 E HA -0.303 4.047 4.350 0.001 0.000 0.191 113 E C 2.094 178.639 176.600 -0.092 0.000 0.985 113 E CA 1.732 58.087 56.400 -0.074 0.000 0.801 113 E CB -0.509 29.168 29.700 -0.039 0.000 0.750 113 E HN 0.571 nan 8.360 nan 0.000 0.452 114 K N 0.044 120.384 120.400 -0.100 0.000 2.097 114 K HA 0.086 4.406 4.320 0.001 0.000 0.205 114 K C 2.048 178.562 176.600 -0.143 0.000 1.050 114 K CA 1.030 57.258 56.287 -0.099 0.000 0.938 114 K CB -0.450 32.010 32.500 -0.068 0.000 0.718 114 K HN 0.423 nan 8.250 nan 0.000 0.442 115 L N 0.083 121.165 121.223 -0.236 0.000 2.083 115 L HA -0.135 4.206 4.340 0.001 0.000 0.209 115 L C 2.466 179.241 176.870 -0.158 0.000 1.083 115 L CA 1.282 55.972 54.840 -0.249 0.000 0.752 115 L CB -0.322 41.497 42.059 -0.400 0.000 0.899 115 L HN 0.171 nan 8.230 nan 0.000 0.433 116 R N 0.389 120.805 120.500 -0.140 0.000 2.096 116 R HA -0.186 4.154 4.340 0.001 0.000 0.235 116 R C 2.013 178.259 176.300 -0.089 0.000 1.127 116 R CA 1.708 57.748 56.100 -0.099 0.000 0.968 116 R CB -0.263 29.987 30.300 -0.084 0.000 0.861 116 R HN 0.589 nan 8.270 nan 0.000 0.440 117 E N 0.309 120.456 120.200 -0.088 0.000 2.481 117 E HA -0.039 4.312 4.350 0.001 0.000 0.195 117 E C 1.024 177.572 176.600 -0.088 0.000 1.047 117 E CA 0.904 57.257 56.400 -0.080 0.000 0.867 117 E CB 0.272 29.933 29.700 -0.065 0.000 0.858 117 E HN 0.231 nan 8.360 nan 0.000 0.513 118 S N 0.793 116.437 115.700 -0.093 0.000 3.541 118 S HA 0.151 4.621 4.470 0.001 0.000 0.180 118 S C 1.720 176.266 174.600 -0.089 0.000 0.887 118 S CA -0.423 57.724 58.200 -0.089 0.000 1.264 118 S CB -0.668 62.491 63.200 -0.069 0.000 0.873 118 S HN 0.125 nan 8.310 nan 0.000 0.809 119 L N 1.422 122.612 121.223 -0.055 0.000 2.043 119 L HA -0.060 4.280 4.340 0.001 0.000 0.212 119 L C 2.648 179.607 176.870 0.150 0.000 1.075 119 L CA 1.302 56.169 54.840 0.044 0.000 0.752 119 L CB -0.824 41.215 42.059 -0.033 0.000 0.891 119 L HN 0.415 nan 8.230 nan 0.000 0.432 120 L N -0.507 120.744 121.223 0.047 0.000 2.191 120 L HA -0.162 4.178 4.340 0.001 0.000 0.212 120 L C 2.702 179.552 176.870 -0.033 0.000 1.103 120 L CA 1.310 56.182 54.840 0.052 0.000 0.769 120 L CB -0.592 41.454 42.059 -0.021 0.000 0.908 120 L HN 0.411 nan 8.230 nan 0.000 0.438 121 S N -0.402 115.244 115.700 -0.091 0.000 2.515 121 S HA -0.041 4.429 4.470 0.001 0.000 0.231 121 S C 1.216 175.676 174.600 -0.234 0.000 0.987 121 S CA 0.627 58.739 58.200 -0.147 0.000 0.936 121 S CB -0.180 62.928 63.200 -0.153 0.000 0.766 121 S HN 0.319 nan 8.310 nan 0.000 0.528 122 V N -2.103 117.650 119.914 -0.268 0.000 2.991 122 V HA 0.747 4.868 4.120 0.001 0.000 0.355 122 V C 0.488 176.434 176.094 -0.247 0.000 1.384 122 V CA -0.734 61.323 62.300 -0.406 0.000 1.171 122 V CB -0.812 30.431 31.823 -0.967 0.000 1.190 122 V HN 0.495 nan 8.190 nan 0.000 0.540 123 A N 2.197 124.838 122.820 -0.299 0.000 2.511 123 A HA 0.594 4.914 4.320 0.001 0.000 0.242 123 A C -1.834 175.478 177.584 -0.453 0.000 1.069 123 A CA -0.495 51.174 52.037 -0.612 0.000 0.763 123 A CB -0.427 18.435 19.000 -0.229 0.000 1.001 123 A HN 0.514 nan 8.150 nan 0.000 0.498 124 P HA 0.165 nan 4.420 nan 0.000 0.272 124 P C -0.421 176.782 177.300 -0.161 0.000 1.230 124 P CA -0.365 62.564 63.100 -0.285 0.000 0.788 124 P CB 0.418 31.884 31.700 -0.391 0.000 0.949 125 K N 0.855 121.229 120.400 -0.044 0.000 2.448 125 K HA 0.250 4.571 4.320 0.001 0.000 0.278 125 K C 1.211 177.788 176.600 -0.038 0.000 1.009 125 K CA 1.009 57.279 56.287 -0.029 0.000 0.995 125 K CB -0.481 32.029 32.500 0.016 0.000 0.917 125 K HN 0.848 nan 8.250 nan 0.000 0.481 126 G N 2.638 111.422 108.800 -0.027 0.000 2.162 126 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 126 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 126 G C -0.002 174.888 174.900 -0.017 0.000 0.976 126 G CA 0.106 45.199 45.100 -0.012 0.000 0.655 126 G HN 0.544 nan 8.290 nan 0.000 0.533 127 M N 1.574 121.150 119.600 -0.040 0.000 2.006 127 M HA 0.353 4.833 4.480 0.001 0.000 0.314 127 M C 1.313 177.606 176.300 -0.012 0.000 0.926 127 M CA 0.174 55.458 55.300 -0.025 0.000 0.906 127 M CB 1.737 34.322 32.600 -0.025 0.000 1.422 127 M HN 0.325 nan 8.290 nan 0.000 0.397 128 S N 0.938 116.622 115.700 -0.027 0.000 2.501 128 S HA 0.117 4.588 4.470 0.001 0.000 0.220 128 S C 0.607 175.162 174.600 -0.074 0.000 0.997 128 S CA 0.058 58.240 58.200 -0.031 0.000 0.919 128 S CB 0.254 63.439 63.200 -0.026 0.000 0.778 128 S HN 0.629 nan 8.310 nan 0.000 0.523 129 Q N 0.820 120.503 119.800 -0.195 0.000 2.222 129 Q HA 0.679 5.019 4.340 0.001 0.000 0.252 129 Q C -1.160 174.585 176.000 -0.426 0.000 0.926 129 Q CA -0.569 54.989 55.803 -0.408 0.000 0.899 129 Q CB 1.867 30.105 28.738 -0.834 0.000 1.250 129 Q HN 0.406 nan 8.270 nan 0.000 0.441 130 L N 2.086 123.093 121.223 -0.360 0.000 2.493 130 L HA 0.554 4.894 4.340 0.001 0.000 0.265 130 L C -1.764 174.916 176.870 -0.316 0.000 0.954 130 L CA -0.154 54.455 54.840 -0.385 0.000 0.844 130 L CB 1.754 43.583 42.059 -0.382 0.000 1.302 130 L HN 0.618 nan 8.230 nan 0.000 0.405 131 I N 3.329 123.620 120.570 -0.466 0.000 2.498 131 I HA 0.501 4.671 4.170 0.001 0.000 0.290 131 I C -0.091 175.779 176.117 -0.411 0.000 1.032 131 I CA -0.540 60.506 61.300 -0.423 0.000 1.073 131 I CB 2.531 40.181 38.000 -0.584 0.000 1.251 131 I HN 0.737 nan 8.210 nan 0.000 0.426 132 T N 4.119 118.567 114.554 -0.177 0.000 2.922 132 T HA 0.719 5.069 4.350 0.001 0.000 0.285 132 T C -0.263 174.380 174.700 -0.095 0.000 1.005 132 T CA -0.735 61.305 62.100 -0.100 0.000 1.061 132 T CB 1.694 70.593 68.868 0.051 0.000 1.007 132 T HN 0.325 nan 8.240 nan 0.000 0.502 133 M N 0.476 120.024 119.600 -0.087 0.000 2.622 133 M HA 0.538 5.019 4.480 0.001 0.000 0.276 133 M C 0.819 177.104 176.300 -0.024 0.000 1.265 133 M CA -0.975 54.294 55.300 -0.051 0.000 0.850 133 M CB 1.652 34.216 32.600 -0.061 0.000 1.720 133 M HN 0.828 nan 8.290 nan 0.000 0.465 134 A N 0.429 123.255 122.820 0.010 0.000 2.072 134 A HA 0.240 4.560 4.320 0.001 0.000 0.216 134 A C 0.750 178.342 177.584 0.012 0.000 1.156 134 A CA 1.070 53.124 52.037 0.029 0.000 0.701 134 A CB -0.155 18.889 19.000 0.074 0.000 0.816 134 A HN 0.946 nan 8.150 nan 0.000 0.458 135 C N -5.539 113.756 119.300 -0.010 0.000 3.340 135 C HA 0.769 5.229 4.460 0.001 0.000 0.333 135 C C 1.698 176.661 174.990 -0.045 0.000 1.464 135 C CA -0.066 58.945 59.018 -0.013 0.000 1.337 135 C CB 1.023 28.764 27.740 0.002 0.000 1.740 135 C HN 0.421 nan 8.230 nan 0.000 0.450 136 G N 0.984 109.768 108.800 -0.026 0.000 2.408 136 G HA2 -0.009 3.952 3.960 0.001 0.000 0.217 136 G HA3 -0.009 3.952 3.960 0.001 0.000 0.217 136 G C 1.444 176.296 174.900 -0.079 0.000 1.150 136 G CA 1.411 46.487 45.100 -0.040 0.000 0.776 136 G HN 0.868 nan 8.290 nan 0.000 0.542 137 S N 0.193 115.856 115.700 -0.061 0.000 2.355 137 S HA -0.195 4.275 4.470 0.001 0.000 0.222 137 S C 2.576 177.101 174.600 -0.125 0.000 1.031 137 S CA 1.556 59.701 58.200 -0.092 0.000 0.993 137 S CB -0.598 62.570 63.200 -0.053 0.000 0.859 137 S HN 0.773 nan 8.310 nan 0.000 0.453 138 C N 1.199 120.449 119.300 -0.084 0.000 2.456 138 C HA 0.148 4.608 4.460 0.001 0.000 0.279 138 C C 2.642 177.563 174.990 -0.114 0.000 1.427 138 C CA -0.043 58.929 59.018 -0.077 0.000 1.778 138 C CB -1.573 26.151 27.740 -0.027 0.000 1.842 138 C HN 0.376 nan 8.230 nan 0.000 0.531 139 S N 2.277 117.891 115.700 -0.143 0.000 2.355 139 S HA -0.122 4.348 4.470 0.001 0.000 0.222 139 S C 1.799 176.164 174.600 -0.392 0.000 1.031 139 S CA 1.636 59.740 58.200 -0.160 0.000 0.993 139 S CB -0.394 62.684 63.200 -0.204 0.000 0.859 139 S HN 0.676 nan 8.310 nan 0.000 0.453 140 N N 1.200 119.629 118.700 -0.451 0.000 2.216 140 N HA -0.023 4.718 4.740 0.001 0.000 0.183 140 N C 1.685 176.497 175.510 -1.163 0.000 1.017 140 N CA 0.754 53.330 53.050 -0.790 0.000 0.861 140 N CB -0.315 37.783 38.487 -0.648 0.000 0.986 140 N HN 0.404 nan 8.380 nan 0.000 0.428 141 E N 0.938 120.741 120.200 -0.661 0.000 2.051 141 E HA -0.081 4.269 4.350 0.001 0.000 0.192 141 E C 1.288 177.719 176.600 -0.282 0.000 0.991 141 E CA 0.760 56.928 56.400 -0.386 0.000 0.799 141 E CB -0.280 29.356 29.700 -0.107 0.000 0.748 141 E HN 0.415 nan 8.360 nan 0.000 0.449 142 N N 0.448 118.983 118.700 -0.274 0.000 2.409 142 N HA -0.039 4.702 4.740 0.001 0.000 0.179 142 N C 1.700 176.906 175.510 -0.506 0.000 1.032 142 N CA 0.765 53.711 53.050 -0.174 0.000 0.898 142 N CB 0.112 38.640 38.487 0.069 0.000 0.971 142 N HN 0.078 nan 8.380 nan 0.000 0.441 143 A N 0.852 123.083 122.820 -0.982 0.000 1.898 143 A HA -0.028 4.292 4.320 0.001 0.000 0.216 143 A C 1.980 179.258 177.584 -0.510 0.000 1.181 143 A CA 0.767 52.115 52.037 -1.148 0.000 0.620 143 A CB -0.878 17.452 19.000 -1.117 0.000 0.819 143 A HN 0.224 nan 8.150 nan 0.000 0.442 144 F N 0.321 120.000 119.950 -0.453 0.000 2.095 144 F HA -0.222 4.305 4.527 0.001 0.000 0.298 144 F C 2.523 178.046 175.800 -0.463 0.000 1.104 144 F CA 1.324 59.019 58.000 -0.507 0.000 1.232 144 F CB -0.153 38.686 39.000 -0.268 0.000 0.987 144 F HN 0.164 nan 8.300 nan 0.000 0.475 145 K N -0.065 120.385 120.400 0.084 0.000 2.057 145 K HA -0.124 4.196 4.320 0.001 0.000 0.207 145 K C 1.920 178.621 176.600 0.168 0.000 1.049 145 K CA 1.825 58.254 56.287 0.237 0.000 0.931 145 K CB -0.638 31.987 32.500 0.207 0.000 0.714 145 K HN 0.182 nan 8.250 nan 0.000 0.440 146 T N 2.034 116.617 114.554 0.047 0.000 2.720 146 T HA -0.129 4.221 4.350 0.001 0.000 0.268 146 T C 1.955 176.795 174.700 0.233 0.000 1.037 146 T CA 1.206 63.374 62.100 0.113 0.000 1.144 146 T CB -0.183 68.669 68.868 -0.026 0.000 0.864 146 T HN 0.149 nan 8.240 nan 0.000 0.444 147 I N -0.106 120.523 120.570 0.099 0.000 2.252 147 I HA -0.103 4.067 4.170 0.001 0.000 0.245 147 I C 1.981 178.316 176.117 0.363 0.000 1.102 147 I CA 1.415 62.856 61.300 0.235 0.000 1.385 147 I CB -0.370 37.574 38.000 -0.092 0.000 1.064 147 I HN 0.233 nan 8.210 nan 0.000 0.414 148 F N 0.192 120.318 119.950 0.294 0.000 2.171 148 F HA -0.235 4.292 4.527 0.000 0.000 0.300 148 F C 2.584 178.563 175.800 0.299 0.000 1.090 148 F CA 1.021 59.182 58.000 0.268 0.000 1.293 148 F CB -0.345 38.734 39.000 0.130 0.000 1.013 148 F HN -0.025 nan 8.300 nan 0.000 0.486 149 M N -1.275 118.593 119.600 0.446 0.000 2.175 149 M HA -0.223 4.257 4.480 0.001 0.000 0.264 149 M C 2.049 178.539 176.300 0.316 0.000 1.063 149 M CA 1.743 57.248 55.300 0.342 0.000 1.119 149 M CB -0.544 32.234 32.600 0.297 0.000 1.377 149 M HN 0.419 nan 8.290 nan 0.000 0.415 150 W N -0.118 121.265 121.300 0.139 0.000 2.381 150 W HA -0.228 4.433 4.660 0.000 0.000 0.301 150 W C 2.031 178.553 176.519 0.005 0.000 1.205 150 W CA 1.368 58.691 57.345 -0.036 0.000 1.285 150 W CB -0.618 28.680 29.460 -0.270 0.000 1.133 150 W HN 0.162 nan 8.180 nan 0.000 0.521 151 Y N 1.298 121.600 120.300 0.004 0.000 2.114 151 Y HA -0.230 4.321 4.550 0.001 0.000 0.284 151 Y C 2.681 178.519 175.900 -0.103 0.000 1.143 151 Y CA 2.388 60.349 58.100 -0.232 0.000 1.135 151 Y CB -0.452 38.097 38.460 0.148 0.000 0.980 151 Y HN -0.269 nan 8.280 nan 0.000 0.499 152 R N -0.485 120.201 120.500 0.310 0.000 2.127 152 R HA -0.161 4.179 4.340 0.001 0.000 0.238 152 R C 2.578 178.895 176.300 0.030 0.000 1.134 152 R CA 1.261 57.488 56.100 0.211 0.000 0.975 152 R CB -1.330 29.090 30.300 0.199 0.000 0.865 152 R HN 0.320 nan 8.270 nan 0.000 0.447 153 S N 0.706 116.381 115.700 -0.042 0.000 2.383 153 S HA -0.108 4.362 4.470 0.001 0.000 0.227 153 S C 1.728 176.188 174.600 -0.233 0.000 1.026 153 S CA 1.179 59.312 58.200 -0.112 0.000 0.981 153 S CB 0.120 63.268 63.200 -0.086 0.000 0.818 153 S HN 0.253 nan 8.310 nan 0.000 0.472 154 K N 0.536 120.677 120.400 -0.431 0.000 2.057 154 K HA -0.063 4.257 4.320 0.001 0.000 0.207 154 K C 2.284 178.703 176.600 -0.302 0.000 1.049 154 K CA 1.766 57.763 56.287 -0.483 0.000 0.931 154 K CB -0.125 31.874 32.500 -0.836 0.000 0.714 154 K HN 0.501 nan 8.250 nan 0.000 0.440 155 E N 0.145 120.209 120.200 -0.228 0.000 2.046 155 E HA -0.173 4.177 4.350 0.001 0.000 0.190 155 E C 1.983 178.545 176.600 -0.062 0.000 0.982 155 E CA 1.148 57.486 56.400 -0.103 0.000 0.800 155 E CB 0.064 29.777 29.700 0.022 0.000 0.756 155 E HN 0.306 nan 8.360 nan 0.000 0.449 156 R N 0.446 120.916 120.500 -0.050 0.000 2.246 156 R HA 0.155 4.495 4.340 0.001 0.000 0.199 156 R C 1.467 177.725 176.300 -0.070 0.000 0.984 156 R CA 0.756 56.831 56.100 -0.041 0.000 1.015 156 R CB -0.203 30.088 30.300 -0.016 0.000 0.930 156 R HN 0.131 nan 8.270 nan 0.000 0.475 157 G N 0.619 109.361 108.800 -0.097 0.000 2.660 157 G HA2 -0.562 3.399 3.960 0.001 0.000 0.321 157 G HA3 -0.562 3.399 3.960 0.001 0.000 0.321 157 G C 1.108 175.953 174.900 -0.092 0.000 1.246 157 G CA 1.682 46.722 45.100 -0.099 0.000 1.000 157 G HN 0.612 nan 8.290 nan 0.000 0.550 158 Q N -0.457 119.297 119.800 -0.077 0.000 2.369 158 Q HA 0.514 4.854 4.340 0.001 0.000 0.206 158 Q C 1.957 177.908 176.000 -0.082 0.000 0.963 158 Q CA 1.934 57.693 55.803 -0.074 0.000 0.894 158 Q CB -0.316 28.389 28.738 -0.056 0.000 0.965 158 Q HN 1.263 nan 8.270 nan 0.000 0.475 159 S N 0.591 116.245 115.700 -0.078 0.000 2.576 159 S HA 0.601 5.071 4.470 0.001 0.000 0.276 159 S C 0.524 175.048 174.600 -0.126 0.000 1.339 159 S CA -0.093 58.062 58.200 -0.075 0.000 1.039 159 S CB 1.169 64.341 63.200 -0.047 0.000 0.902 159 S HN 0.854 nan 8.310 nan 0.000 0.516 160 A N 2.016 124.760 122.820 -0.127 0.000 2.259 160 A HA 0.598 4.918 4.320 0.001 0.000 0.278 160 A C -0.188 177.320 177.584 -0.127 0.000 1.107 160 A CA -0.627 51.282 52.037 -0.214 0.000 0.828 160 A CB -0.152 18.769 19.000 -0.131 0.000 1.111 160 A HN 0.718 nan 8.150 nan 0.000 0.498 161 F N 1.525 121.476 119.950 0.002 0.000 2.612 161 F HA 0.106 4.633 4.527 0.000 0.000 0.389 161 F C 1.643 177.441 175.800 -0.003 0.000 1.055 161 F CA 0.601 58.601 58.000 0.000 0.000 1.232 161 F CB 0.213 39.215 39.000 0.004 0.000 1.044 161 F HN 0.606 nan 8.300 nan 0.000 0.560 162 S N 2.523 118.328 115.700 0.175 0.000 2.584 162 S HA 0.315 4.785 4.470 0.001 0.000 0.270 162 S C 1.159 175.809 174.600 0.083 0.000 1.346 162 S CA -0.475 57.781 58.200 0.093 0.000 1.018 162 S CB 1.513 64.749 63.200 0.059 0.000 0.899 162 S HN 0.781 nan 8.310 nan 0.000 0.542 163 K N 1.195 121.626 120.400 0.052 0.000 2.032 163 K HA -0.149 4.171 4.320 0.001 0.000 0.209 163 K C 2.050 178.662 176.600 0.019 0.000 1.048 163 K CA 2.081 58.389 56.287 0.034 0.000 0.927 163 K CB -1.670 30.844 32.500 0.022 0.000 0.712 163 K HN 0.913 nan 8.250 nan 0.000 0.441 164 E N 0.230 120.440 120.200 0.017 0.000 2.058 164 E HA -0.252 4.098 4.350 0.001 0.000 0.194 164 E C 2.152 178.750 176.600 -0.003 0.000 0.997 164 E CA 1.699 58.102 56.400 0.005 0.000 0.801 164 E CB -0.076 29.628 29.700 0.006 0.000 0.746 164 E HN 0.752 nan 8.360 nan 0.000 0.450 165 E N 0.214 120.418 120.200 0.007 0.000 2.077 165 E HA -0.173 4.178 4.350 0.001 0.000 0.193 165 E C 2.258 178.829 176.600 -0.047 0.000 0.989 165 E CA 1.096 57.489 56.400 -0.011 0.000 0.800 165 E CB -0.038 29.679 29.700 0.027 0.000 0.746 165 E HN 0.330 nan 8.360 nan 0.000 0.452 166 L N 0.660 121.864 121.223 -0.033 0.000 2.093 166 L HA -0.188 4.152 4.340 0.001 0.000 0.208 166 L C 2.321 179.158 176.870 -0.055 0.000 1.085 166 L CA 1.186 55.985 54.840 -0.067 0.000 0.755 166 L CB -0.267 41.778 42.059 -0.023 0.000 0.904 166 L HN 0.133 nan 8.230 nan 0.000 0.435 167 E N -0.353 119.828 120.200 -0.032 0.000 2.047 167 E HA -0.186 4.165 4.350 0.001 0.000 0.191 167 E C 2.170 178.749 176.600 -0.034 0.000 0.987 167 E CA 1.934 58.317 56.400 -0.028 0.000 0.799 167 E CB -0.019 29.672 29.700 -0.016 0.000 0.752 167 E HN 0.560 nan 8.360 nan 0.000 0.449 168 T N -0.791 113.742 114.554 -0.035 0.000 2.904 168 T HA -0.143 4.207 4.350 0.001 0.000 0.267 168 T C 2.431 177.104 174.700 -0.046 0.000 1.059 168 T CA 1.007 63.085 62.100 -0.036 0.000 1.137 168 T CB -0.969 67.879 68.868 -0.033 0.000 0.879 168 T HN 0.443 nan 8.240 nan 0.000 0.467 169 C N 1.688 120.950 119.300 -0.062 0.000 2.422 169 C HA 0.113 4.574 4.460 0.001 0.000 0.279 169 C C 2.619 177.574 174.990 -0.059 0.000 1.305 169 C CA 0.102 59.076 59.018 -0.073 0.000 1.757 169 C CB -1.574 26.100 27.740 -0.110 0.000 1.962 169 C HN 0.346 nan 8.230 nan 0.000 0.499 170 M N 2.015 121.581 119.600 -0.057 0.000 2.296 170 M HA 0.125 4.605 4.480 0.001 0.000 0.265 170 M C 1.765 178.045 176.300 -0.034 0.000 1.064 170 M CA 1.369 56.641 55.300 -0.046 0.000 1.109 170 M CB -0.841 31.732 32.600 -0.044 0.000 1.396 170 M HN 0.767 nan 8.290 nan 0.000 0.430 171 I N -2.880 117.672 120.570 -0.031 0.000 3.816 171 I HA 0.281 4.451 4.170 0.001 0.000 0.334 171 I C -0.600 175.504 176.117 -0.022 0.000 1.551 171 I CA -0.283 61.002 61.300 -0.025 0.000 1.153 171 I CB -0.330 37.657 38.000 -0.022 0.000 1.197 171 I HN 0.070 nan 8.210 nan 0.000 0.439 172 N N 1.556 120.242 118.700 -0.023 0.000 2.747 172 N HA -0.211 4.529 4.740 0.001 0.000 0.249 172 N C -0.498 175.001 175.510 -0.019 0.000 1.107 172 N CA 1.049 54.089 53.050 -0.017 0.000 0.707 172 N CB -1.410 37.071 38.487 -0.009 0.000 1.054 172 N HN 0.743 nan 8.380 nan 0.000 0.555 173 Q N -0.713 119.070 119.800 -0.028 0.000 2.348 173 Q HA 0.784 5.125 4.340 0.001 0.000 0.271 173 Q C -0.143 175.832 176.000 -0.042 0.000 1.067 173 Q CA -0.724 55.062 55.803 -0.028 0.000 0.839 173 Q CB 1.783 30.507 28.738 -0.023 0.000 1.354 173 Q HN 0.308 nan 8.270 nan 0.000 0.447 174 A N 2.020 124.816 122.820 -0.040 0.000 2.425 174 A HA 0.256 4.577 4.320 0.001 0.000 0.242 174 A C -1.686 175.876 177.584 -0.037 0.000 1.077 174 A CA -0.883 51.122 52.037 -0.052 0.000 0.781 174 A CB -0.173 18.802 19.000 -0.041 0.000 1.020 174 A HN 0.592 nan 8.150 nan 0.000 0.494 175 P HA 0.038 nan 4.420 nan 0.000 0.240 175 P C 1.450 178.702 177.300 -0.080 0.000 1.190 175 P CA 1.065 64.130 63.100 -0.058 0.000 0.781 175 P CB 0.017 31.700 31.700 -0.028 0.000 0.931 176 G N 0.586 109.347 108.800 -0.065 0.000 2.469 176 G HA2 -0.236 3.724 3.960 0.001 0.000 0.219 176 G HA3 -0.236 3.724 3.960 0.001 0.000 0.219 176 G C 0.413 175.246 174.900 -0.111 0.000 1.150 176 G CA 0.626 45.677 45.100 -0.081 0.000 0.763 176 G HN 0.346 nan 8.290 nan 0.000 0.561 177 C N 2.639 121.874 119.300 -0.110 0.000 2.206 177 C HA 0.464 4.925 4.460 0.001 0.000 0.324 177 C C -2.061 172.815 174.990 -0.190 0.000 1.120 177 C CA -1.764 57.174 59.018 -0.133 0.000 1.546 177 C CB 0.685 28.378 27.740 -0.079 0.000 2.023 177 C HN 0.262 nan 8.230 nan 0.000 0.448 178 P HA 0.145 nan 4.420 nan 0.000 0.274 178 P C -0.083 176.989 177.300 -0.380 0.000 1.231 178 P CA 0.086 62.885 63.100 -0.502 0.000 0.790 178 P CB 0.733 31.790 31.700 -1.071 0.000 0.951 179 D N 0.597 120.877 120.400 -0.200 0.000 2.881 179 D HA 0.082 4.722 4.640 0.001 0.000 0.240 179 D C -0.215 176.190 176.300 0.174 0.000 1.249 179 D CA -0.258 53.755 54.000 0.023 0.000 0.839 179 D CB -0.967 39.886 40.800 0.089 0.000 1.042 179 D HN 0.312 nan 8.370 nan 0.000 0.475 180 Y N -0.035 120.137 120.300 -0.213 0.000 2.300 180 Y HA 0.221 4.771 4.550 0.001 0.000 0.328 180 Y C 1.412 177.079 175.900 -0.389 0.000 1.270 180 Y CA -0.928 57.012 58.100 -0.267 0.000 1.352 180 Y CB 1.040 39.346 38.460 -0.257 0.000 1.286 180 Y HN -0.005 nan 8.280 nan 0.000 0.536 181 S N 1.650 117.164 115.700 -0.311 0.000 2.634 181 S HA 0.655 5.125 4.470 0.001 0.000 0.296 181 S C -1.300 172.719 174.600 -0.968 0.000 1.104 181 S CA -0.913 56.657 58.200 -1.050 0.000 0.920 181 S CB 2.043 64.871 63.200 -0.620 0.000 1.111 181 S HN 0.401 nan 8.310 nan 0.000 0.493 182 I N 2.000 121.658 120.570 -1.521 0.000 2.406 182 I HA 0.398 4.569 4.170 0.001 0.000 0.290 182 I C -0.437 175.371 176.117 -0.514 0.000 0.999 182 I CA -0.759 59.982 61.300 -0.931 0.000 1.124 182 I CB 1.491 38.766 38.000 -1.209 0.000 1.289 182 I HN 0.792 nan 8.210 nan 0.000 0.441 183 L N 7.142 128.161 121.223 -0.339 0.000 2.331 183 L HA 0.424 4.764 4.340 0.001 0.000 0.278 183 L C 0.368 177.166 176.870 -0.119 0.000 1.106 183 L CA 0.273 54.967 54.840 -0.244 0.000 0.824 183 L CB 0.823 42.722 42.059 -0.266 0.000 1.142 183 L HN 0.860 nan 8.230 nan 0.000 0.443 184 S N 2.996 118.664 115.700 -0.054 0.000 2.704 184 S HA 0.678 5.148 4.470 0.001 0.000 0.296 184 S C -0.870 173.739 174.600 0.015 0.000 1.138 184 S CA -0.800 57.505 58.200 0.175 0.000 0.875 184 S CB 1.463 64.927 63.200 0.440 0.000 1.151 184 S HN 0.383 nan 8.310 nan 0.000 0.500 185 F N 0.690 120.839 119.950 0.330 0.000 2.492 185 F HA 0.609 5.136 4.527 0.000 0.000 0.327 185 F C 0.362 176.309 175.800 0.246 0.000 1.079 185 F CA -1.108 57.058 58.000 0.277 0.000 0.967 185 F CB 1.738 40.986 39.000 0.414 0.000 1.169 185 F HN 0.596 nan 8.300 nan 0.000 0.472 186 M N 2.220 121.994 119.600 0.291 0.000 2.250 186 M HA 0.345 4.825 4.480 0.001 0.000 0.337 186 M C 1.040 177.514 176.300 0.290 0.000 1.161 186 M CA 0.948 56.380 55.300 0.220 0.000 1.088 186 M CB -0.362 32.326 32.600 0.148 0.000 1.639 186 M HN 0.868 nan 8.290 nan 0.000 0.447 187 G N 2.674 111.620 108.800 0.244 0.000 2.179 187 G HA2 -0.152 3.808 3.960 0.001 0.000 0.260 187 G HA3 -0.152 3.808 3.960 0.001 0.000 0.260 187 G C 0.248 175.217 174.900 0.115 0.000 0.977 187 G CA 0.405 45.596 45.100 0.151 0.000 0.641 187 G HN 1.351 nan 8.290 nan 0.000 0.533 188 A N -0.438 122.502 122.820 0.200 0.000 2.351 188 A HA 0.740 5.060 4.320 0.001 0.000 0.257 188 A C -0.500 177.079 177.584 -0.009 0.000 1.087 188 A CA 0.214 52.289 52.037 0.064 0.000 0.798 188 A CB 0.684 19.832 19.000 0.247 0.000 1.033 188 A HN 1.391 nan 8.150 nan 0.000 0.488 189 F N 1.399 121.108 119.950 -0.402 0.000 2.562 189 F HA 0.519 5.046 4.527 0.000 0.000 0.319 189 F C 0.126 175.615 175.800 -0.518 0.000 1.154 189 F CA -0.447 57.363 58.000 -0.317 0.000 0.931 189 F CB 1.544 40.468 39.000 -0.126 0.000 1.198 189 F HN 0.671 nan 8.300 nan 0.000 0.444 190 H N 3.890 122.655 119.070 -0.509 0.000 3.052 190 H HA 0.457 5.014 4.556 0.001 0.000 0.257 190 H C 0.648 175.720 175.328 -0.428 0.000 1.193 190 H CA 0.246 56.127 56.048 -0.279 0.000 1.072 190 H CB 0.803 30.527 29.762 -0.063 0.000 1.685 190 H HN 0.850 nan 8.280 nan 0.000 0.630 191 G N 0.979 109.250 108.800 -0.880 0.000 2.423 191 G HA2 -0.124 3.836 3.960 0.001 0.000 0.684 191 G HA3 -0.124 3.836 3.960 0.001 0.000 0.684 191 G C -0.166 174.468 174.900 -0.443 0.000 1.309 191 G CA -0.838 43.960 45.100 -0.504 0.000 0.950 191 G HN 0.243 nan 8.290 nan 0.000 0.587 192 R N -0.516 119.871 120.500 -0.189 0.000 2.531 192 R HA 0.271 4.612 4.340 0.001 0.000 0.316 192 R C 1.233 177.509 176.300 -0.041 0.000 0.955 192 R CA 0.465 56.501 56.100 -0.106 0.000 1.120 192 R CB 0.775 31.049 30.300 -0.044 0.000 1.361 192 R HN 0.871 nan 8.270 nan 0.000 0.534 193 T N -1.459 113.078 114.554 -0.027 0.000 2.856 193 T HA 0.091 4.442 4.350 0.001 0.000 0.306 193 T C 1.456 176.177 174.700 0.034 0.000 1.062 193 T CA -0.291 61.813 62.100 0.007 0.000 1.083 193 T CB 0.924 69.800 68.868 0.014 0.000 0.984 193 T HN -0.038 nan 8.240 nan 0.000 0.542 194 M N 1.238 120.868 119.600 0.050 0.000 2.279 194 M HA -0.008 4.472 4.480 0.001 0.000 0.264 194 M C 2.500 178.891 176.300 0.151 0.000 1.062 194 M CA 1.699 57.031 55.300 0.054 0.000 1.099 194 M CB -0.840 31.771 32.600 0.019 0.000 1.394 194 M HN 0.977 nan 8.290 nan 0.000 0.426 195 G N -0.257 108.690 108.800 0.246 0.000 2.424 195 G HA2 -0.163 3.798 3.960 0.001 0.000 0.214 195 G HA3 -0.163 3.798 3.960 0.001 0.000 0.214 195 G C 1.487 176.656 174.900 0.447 0.000 1.202 195 G CA 0.725 46.072 45.100 0.411 0.000 0.793 195 G HN 0.460 nan 8.290 nan 0.000 0.534 196 C N 0.116 119.620 119.300 0.341 0.000 2.401 196 C HA -0.053 4.408 4.460 0.001 0.000 0.276 196 C C 2.741 177.806 174.990 0.125 0.000 1.233 196 C CA 0.762 59.935 59.018 0.259 0.000 1.753 196 C CB -1.071 26.670 27.740 0.003 0.000 2.029 196 C HN 0.414 nan 8.230 nan 0.000 0.478 197 L N 1.721 122.967 121.223 0.039 0.000 2.083 197 L HA -0.066 4.274 4.340 0.001 0.000 0.209 197 L C 2.588 179.428 176.870 -0.051 0.000 1.083 197 L CA 2.126 56.938 54.840 -0.046 0.000 0.752 197 L CB -0.804 41.235 42.059 -0.034 0.000 0.899 197 L HN 0.288 nan 8.230 nan 0.000 0.433 198 A N -1.523 121.303 122.820 0.010 0.000 2.019 198 A HA -0.207 4.114 4.320 0.001 0.000 0.219 198 A C 2.210 179.835 177.584 0.069 0.000 1.164 198 A CA 2.058 54.084 52.037 -0.018 0.000 0.644 198 A CB -1.097 17.780 19.000 -0.204 0.000 0.805 198 A HN 0.600 nan 8.150 nan 0.000 0.449 199 T N -4.145 110.490 114.554 0.135 0.000 3.081 199 T HA 0.157 4.508 4.350 0.001 0.000 0.250 199 T C 0.615 175.301 174.700 -0.024 0.000 1.100 199 T CA 0.630 62.876 62.100 0.243 0.000 1.038 199 T CB -0.287 68.797 68.868 0.360 0.000 0.962 199 T HN 0.154 nan 8.240 nan 0.000 0.516 200 T N 2.878 117.224 114.554 -0.346 0.000 2.856 200 T HA 0.338 4.688 4.350 0.001 0.000 0.292 200 T C -0.409 173.815 174.700 -0.794 0.000 0.980 200 T CA -0.444 61.408 62.100 -0.413 0.000 1.091 200 T CB 0.415 69.091 68.868 -0.320 0.000 0.936 200 T HN 0.385 nan 8.240 nan 0.000 0.503 201 H N 1.480 120.636 119.070 0.144 0.000 2.947 201 H HA 0.212 4.768 4.556 0.001 0.000 0.222 201 H C 0.962 176.369 175.328 0.132 0.000 1.414 201 H CA -0.261 55.867 56.048 0.134 0.000 1.224 201 H CB 0.131 29.974 29.762 0.135 0.000 2.100 201 H HN 0.639 nan 8.280 nan 0.000 0.524 202 S N -0.087 115.739 115.700 0.210 0.000 2.384 202 S HA 0.116 4.586 4.470 0.001 0.000 0.217 202 S C 0.795 175.415 174.600 0.033 0.000 1.041 202 S CA 0.197 58.513 58.200 0.192 0.000 0.948 202 S CB 1.282 64.731 63.200 0.415 0.000 0.872 202 S HN 0.262 nan 8.310 nan 0.000 0.512 203 K N -0.622 119.719 120.400 -0.098 0.000 2.542 203 K HA 0.646 4.966 4.320 0.001 0.000 0.259 203 K C 0.403 176.888 176.600 -0.191 0.000 0.932 203 K CA -0.070 56.053 56.287 -0.274 0.000 0.820 203 K CB 1.683 33.799 32.500 -0.640 0.000 1.345 203 K HN 0.115 nan 8.250 nan 0.000 0.432 204 A N 3.396 126.162 122.820 -0.090 0.000 1.908 204 A HA -0.156 4.164 4.320 0.001 0.000 0.218 204 A C 1.671 179.252 177.584 -0.005 0.000 1.181 204 A CA 1.600 53.625 52.037 -0.019 0.000 0.627 204 A CB -0.474 18.524 19.000 -0.004 0.000 0.818 204 A HN 0.732 nan 8.150 nan 0.000 0.445 205 I N -0.139 120.406 120.570 -0.042 0.000 2.567 205 I HA -0.240 3.930 4.170 0.001 0.000 0.257 205 I C 2.017 178.227 176.117 0.156 0.000 1.184 205 I CA 1.552 62.874 61.300 0.037 0.000 1.451 205 I CB -0.521 37.500 38.000 0.035 0.000 1.089 205 I HN 0.517 nan 8.210 nan 0.000 0.441 206 H N -0.559 118.545 119.070 0.058 0.000 2.462 206 H HA 0.005 4.561 4.556 0.001 0.000 0.292 206 H C 1.588 176.945 175.328 0.048 0.000 1.049 206 H CA 0.643 56.736 56.048 0.075 0.000 1.334 206 H CB 0.256 30.096 29.762 0.131 0.000 1.404 206 H HN 0.216 nan 8.280 nan 0.000 0.544 207 K N 0.532 121.027 120.400 0.158 0.000 2.335 207 K HA 0.126 4.446 4.320 0.001 0.000 0.195 207 K C 0.792 177.422 176.600 0.050 0.000 1.058 207 K CA -0.132 56.206 56.287 0.085 0.000 0.988 207 K CB 0.526 33.071 32.500 0.076 0.000 0.880 207 K HN 0.168 nan 8.250 nan 0.000 0.513 208 I N 2.765 123.365 120.570 0.050 0.000 2.752 208 I HA -0.160 4.011 4.170 0.001 0.000 0.287 208 I C -0.332 175.797 176.117 0.019 0.000 1.188 208 I CA 1.008 62.327 61.300 0.030 0.000 1.427 208 I CB 0.318 38.335 38.000 0.029 0.000 1.365 208 I HN 0.331 nan 8.210 nan 0.000 0.585 209 D N 4.346 124.750 120.400 0.006 0.000 2.911 209 D HA -0.159 4.481 4.640 0.001 0.000 0.199 209 D C -0.509 175.781 176.300 -0.016 0.000 1.041 209 D CA 0.891 54.889 54.000 -0.004 0.000 1.013 209 D CB -0.840 39.961 40.800 0.002 0.000 1.093 209 D HN 0.206 nan 8.370 nan 0.000 0.431 210 I N 1.261 121.819 120.570 -0.020 0.000 2.354 210 I HA 0.324 4.494 4.170 0.001 0.000 0.292 210 I C -1.723 174.351 176.117 -0.072 0.000 0.989 210 I CA -1.896 59.381 61.300 -0.040 0.000 1.188 210 I CB 0.489 38.471 38.000 -0.029 0.000 1.342 210 I HN -0.311 nan 8.210 nan 0.000 0.457 211 P HA 0.180 nan 4.420 nan 0.000 0.266 211 P C -0.123 177.039 177.300 -0.231 0.000 1.195 211 P CA 0.244 63.247 63.100 -0.162 0.000 0.768 211 P CB 0.907 32.498 31.700 -0.181 0.000 0.838 212 S N 1.261 116.794 115.700 -0.278 0.000 2.851 212 S HA 0.732 5.202 4.470 0.001 0.000 0.317 212 S C -1.473 172.805 174.600 -0.536 0.000 1.144 212 S CA -0.673 57.331 58.200 -0.326 0.000 0.862 212 S CB 0.421 63.532 63.200 -0.150 0.000 1.259 212 S HN 0.203 nan 8.310 nan 0.000 0.564 213 F N 1.421 121.093 119.950 -0.463 0.000 2.508 213 F HA 0.336 4.864 4.527 0.001 0.000 0.325 213 F C -0.012 175.525 175.800 -0.438 0.000 1.090 213 F CA -0.737 56.856 58.000 -0.680 0.000 0.945 213 F CB 1.436 39.383 39.000 -1.754 0.000 1.156 213 F HN 0.474 nan 8.300 nan 0.000 0.463 214 D N 3.553 123.985 120.400 0.055 0.000 2.498 214 D HA 0.038 4.679 4.640 0.001 0.000 0.229 214 D C -1.236 175.380 176.300 0.527 0.000 1.188 214 D CA 0.162 54.304 54.000 0.236 0.000 1.028 214 D CB -0.148 40.794 40.800 0.235 0.000 1.087 214 D HN 0.158 nan 8.370 nan 0.000 0.510 215 W N 3.150 124.547 121.300 0.162 0.000 2.781 215 W HA 0.396 5.056 4.660 0.000 0.000 0.345 215 W C -2.052 174.281 176.519 -0.309 0.000 1.085 215 W CA -3.031 54.285 57.345 -0.048 0.000 1.198 215 W CB 0.430 29.860 29.460 -0.049 0.000 1.423 215 W HN 0.164 nan 8.180 nan 0.000 0.532 216 P HA 0.233 nan 4.420 nan 0.000 0.271 216 P C -0.414 176.697 177.300 -0.314 0.000 1.216 216 P CA 0.342 63.009 63.100 -0.722 0.000 0.771 216 P CB 0.912 32.029 31.700 -0.972 0.000 0.864 217 I N 1.727 122.145 120.570 -0.254 0.000 2.439 217 I HA 0.499 4.669 4.170 0.001 0.000 0.283 217 I C 0.213 176.186 176.117 -0.240 0.000 1.023 217 I CA -0.895 60.246 61.300 -0.265 0.000 1.100 217 I CB 1.793 39.597 38.000 -0.326 0.000 1.238 217 I HN 0.281 nan 8.210 nan 0.000 0.445 218 A N 8.390 131.010 122.820 -0.333 0.000 2.295 218 A HA 0.865 5.186 4.320 0.001 0.000 0.318 218 A C -2.601 174.966 177.584 -0.028 0.000 1.134 218 A CA -1.689 50.182 52.037 -0.276 0.000 0.827 218 A CB 0.570 19.239 19.000 -0.552 0.000 1.136 218 A HN 0.409 nan 8.150 nan 0.000 0.493 219 P HA 0.243 nan 4.420 nan 0.000 0.281 219 P C -0.978 176.593 177.300 0.452 0.000 1.252 219 P CA 0.068 63.305 63.100 0.229 0.000 0.778 219 P CB 0.454 32.226 31.700 0.120 0.000 0.895 220 F N 5.964 126.114 119.950 0.334 0.000 2.396 220 F HA 0.391 4.919 4.527 0.001 0.000 0.343 220 F C -1.922 173.853 175.800 -0.042 0.000 1.104 220 F CA -2.480 55.613 58.000 0.156 0.000 1.161 220 F CB 0.523 39.578 39.000 0.092 0.000 1.146 220 F HN 0.207 nan 8.300 nan 0.000 0.522 221 P HA 0.011 nan 4.420 nan 0.000 0.265 221 P C -1.162 176.046 177.300 -0.154 0.000 1.193 221 P CA 0.078 62.892 63.100 -0.478 0.000 0.765 221 P CB 0.400 31.588 31.700 -0.854 0.000 0.823 222 R N 4.234 124.704 120.500 -0.051 0.000 2.215 222 R HA 0.323 4.664 4.340 0.001 0.000 0.337 222 R C -0.277 175.998 176.300 -0.041 0.000 1.010 222 R CA -0.546 55.572 56.100 0.030 0.000 0.871 222 R CB -0.039 30.292 30.300 0.051 0.000 1.134 222 R HN 0.488 nan 8.270 nan 0.000 0.477 223 L N 4.046 125.252 121.223 -0.028 0.000 2.436 223 L HA 0.267 4.607 4.340 0.001 0.000 0.265 223 L C 0.318 177.059 176.870 -0.216 0.000 1.168 223 L CA -0.036 54.700 54.840 -0.173 0.000 0.815 223 L CB 0.823 42.728 42.059 -0.258 0.000 1.109 223 L HN 0.492 nan 8.230 nan 0.000 0.462 224 K N 2.047 122.201 120.400 -0.411 0.000 2.138 224 K HA 0.502 4.823 4.320 0.001 0.000 0.263 224 K C -1.482 174.802 176.600 -0.526 0.000 0.965 224 K CA -0.571 55.395 56.287 -0.534 0.000 0.868 224 K CB 1.577 33.424 32.500 -1.089 0.000 1.083 224 K HN 0.230 nan 8.250 nan 0.000 0.443 225 Y N 1.206 121.429 120.300 -0.128 0.000 2.509 225 Y HA 0.332 4.882 4.550 0.001 0.000 0.341 225 Y C -2.027 174.039 175.900 0.276 0.000 1.038 225 Y CA -2.572 55.591 58.100 0.105 0.000 1.089 225 Y CB 0.925 39.425 38.460 0.066 0.000 1.241 225 Y HN 0.481 nan 8.280 nan 0.000 0.468 226 P HA 0.203 nan 4.420 nan 0.000 0.275 226 P C 0.540 177.984 177.300 0.240 0.000 1.228 226 P CA -0.291 63.009 63.100 0.333 0.000 0.786 226 P CB 0.932 32.760 31.700 0.213 0.000 0.927 227 L N 1.273 122.557 121.223 0.100 0.000 2.081 227 L HA -0.257 4.083 4.340 0.001 0.000 0.212 227 L C 1.867 178.766 176.870 0.047 0.000 1.080 227 L CA 1.866 56.700 54.840 -0.010 0.000 0.754 227 L CB -0.866 41.174 42.059 -0.032 0.000 0.893 227 L HN 0.469 nan 8.230 nan 0.000 0.433 228 E N -0.204 120.026 120.200 0.049 0.000 2.418 228 E HA -0.153 4.197 4.350 0.001 0.000 0.197 228 E C 1.426 178.005 176.600 -0.036 0.000 1.026 228 E CA 0.690 57.098 56.400 0.014 0.000 0.862 228 E CB -0.226 29.484 29.700 0.016 0.000 0.799 228 E HN 0.488 nan 8.360 nan 0.000 0.518 229 E N -0.544 119.614 120.200 -0.070 0.000 2.474 229 E HA 0.137 4.488 4.350 0.001 0.000 0.195 229 E C -0.244 176.011 176.600 -0.574 0.000 1.039 229 E CA 0.047 56.259 56.400 -0.314 0.000 0.881 229 E CB 0.222 29.675 29.700 -0.412 0.000 0.970 229 E HN 0.282 nan 8.360 nan 0.000 0.486 230 F N -0.578 119.349 119.950 -0.038 0.000 2.733 230 F HA 0.135 4.663 4.527 0.001 0.000 0.380 230 F C 1.113 176.876 175.800 -0.061 0.000 1.324 230 F CA -0.289 57.680 58.000 -0.051 0.000 1.178 230 F CB 0.721 39.677 39.000 -0.073 0.000 1.093 230 F HN -0.163 nan 8.300 nan 0.000 0.512 231 V N -0.110 119.839 119.914 0.058 0.000 2.255 231 V HA -0.308 3.812 4.120 0.001 0.000 0.247 231 V C 2.281 178.394 176.094 0.032 0.000 1.051 231 V CA 2.196 64.514 62.300 0.030 0.000 1.018 231 V CB -0.579 31.248 31.823 0.007 0.000 0.641 231 V HN 0.295 nan 8.190 nan 0.000 0.445 232 K N -0.806 119.614 120.400 0.032 0.000 2.057 232 K HA -0.147 4.174 4.320 0.001 0.000 0.206 232 K C 2.088 178.714 176.600 0.042 0.000 1.050 232 K CA 1.396 57.700 56.287 0.029 0.000 0.935 232 K CB -0.469 32.044 32.500 0.021 0.000 0.715 232 K HN 0.703 nan 8.250 nan 0.000 0.439 233 E N 0.795 121.047 120.200 0.086 0.000 2.077 233 E HA -0.109 4.242 4.350 0.001 0.000 0.193 233 E C 2.035 178.649 176.600 0.023 0.000 0.989 233 E CA 1.411 57.864 56.400 0.087 0.000 0.800 233 E CB -0.232 29.590 29.700 0.203 0.000 0.746 233 E HN 0.274 nan 8.360 nan 0.000 0.452 234 N N 0.379 119.088 118.700 0.015 0.000 2.188 234 N HA -0.123 4.617 4.740 0.001 0.000 0.184 234 N C 1.659 177.137 175.510 -0.053 0.000 1.018 234 N CA 0.856 53.874 53.050 -0.053 0.000 0.858 234 N CB -0.156 38.286 38.487 -0.074 0.000 0.989 234 N HN 0.251 nan 8.380 nan 0.000 0.426 235 Q N 0.373 120.161 119.800 -0.020 0.000 2.061 235 Q HA -0.214 4.127 4.340 0.001 0.000 0.204 235 Q C 2.509 178.501 176.000 -0.014 0.000 0.984 235 Q CA 2.311 58.106 55.803 -0.014 0.000 0.846 235 Q CB -0.341 28.398 28.738 0.001 0.000 0.902 235 Q HN 0.614 nan 8.270 nan 0.000 0.421 236 Q N 1.021 120.816 119.800 -0.009 0.000 2.119 236 Q HA -0.211 4.129 4.340 0.001 0.000 0.201 236 Q C 1.652 177.641 176.000 -0.019 0.000 0.972 236 Q CA 1.759 57.559 55.803 -0.006 0.000 0.847 236 Q CB -0.586 28.155 28.738 0.004 0.000 0.903 236 Q HN 0.478 nan 8.270 nan 0.000 0.433 237 E N 0.628 120.804 120.200 -0.040 0.000 2.077 237 E HA -0.185 4.165 4.350 0.001 0.000 0.193 237 E C 1.907 178.453 176.600 -0.090 0.000 0.989 237 E CA 1.831 58.191 56.400 -0.066 0.000 0.800 237 E CB -0.144 29.498 29.700 -0.097 0.000 0.746 237 E HN 0.791 nan 8.360 nan 0.000 0.452 238 E N -0.206 119.928 120.200 -0.109 0.000 2.077 238 E HA -0.162 4.188 4.350 0.001 0.000 0.193 238 E C 2.068 178.698 176.600 0.050 0.000 0.989 238 E CA 0.946 57.290 56.400 -0.092 0.000 0.800 238 E CB -0.230 29.425 29.700 -0.075 0.000 0.746 238 E HN 0.420 nan 8.360 nan 0.000 0.452 239 A N 1.620 124.454 122.820 0.023 0.000 1.902 239 A HA -0.211 4.109 4.320 0.001 0.000 0.217 239 A C 2.103 179.704 177.584 0.028 0.000 1.181 239 A CA 1.476 53.529 52.037 0.026 0.000 0.623 239 A CB -0.470 18.536 19.000 0.010 0.000 0.818 239 A HN 0.091 nan 8.150 nan 0.000 0.443 240 R N -0.538 119.972 120.500 0.016 0.000 2.083 240 R HA -0.177 4.163 4.340 0.001 0.000 0.237 240 R C 2.135 178.457 176.300 0.037 0.000 1.137 240 R CA 2.101 58.212 56.100 0.018 0.000 0.951 240 R CB -0.741 29.563 30.300 0.006 0.000 0.851 240 R HN 0.548 nan 8.270 nan 0.000 0.434 241 C N 0.624 119.956 119.300 0.053 0.000 2.429 241 C HA -0.029 4.431 4.460 0.001 0.000 0.277 241 C C 2.664 177.753 174.990 0.164 0.000 1.262 241 C CA 0.455 59.542 59.018 0.115 0.000 1.733 241 C CB -0.909 26.894 27.740 0.104 0.000 2.010 241 C HN 0.509 nan 8.230 nan 0.000 0.483 242 L N 0.987 122.303 121.223 0.156 0.000 2.046 242 L HA -0.121 4.219 4.340 0.001 0.000 0.208 242 L C 3.050 179.932 176.870 0.021 0.000 1.077 242 L CA 2.151 57.028 54.840 0.062 0.000 0.747 242 L CB -1.053 41.000 42.059 -0.011 0.000 0.896 242 L HN 0.517 nan 8.230 nan 0.000 0.432 243 E N 0.482 120.696 120.200 0.023 0.000 2.051 243 E HA -0.269 4.081 4.350 0.001 0.000 0.192 243 E C 1.943 178.544 176.600 0.003 0.000 0.991 243 E CA 1.604 58.011 56.400 0.011 0.000 0.799 243 E CB -0.677 29.031 29.700 0.013 0.000 0.748 243 E HN 0.634 nan 8.360 nan 0.000 0.449 244 E N -0.119 120.088 120.200 0.011 0.000 2.110 244 E HA -0.096 4.254 4.350 0.001 0.000 0.193 244 E C 2.333 178.909 176.600 -0.040 0.000 0.988 244 E CA 1.084 57.481 56.400 -0.004 0.000 0.804 244 E CB -0.110 29.595 29.700 0.009 0.000 0.745 244 E HN 0.390 nan 8.360 nan 0.000 0.458 245 V N 1.316 121.206 119.914 -0.039 0.000 2.287 245 V HA -0.294 3.827 4.120 0.001 0.000 0.248 245 V C 2.349 178.365 176.094 -0.130 0.000 1.053 245 V CA 2.210 64.448 62.300 -0.103 0.000 1.027 245 V CB -0.422 31.374 31.823 -0.045 0.000 0.646 245 V HN 0.283 nan 8.190 nan 0.000 0.447 246 E N -0.105 120.034 120.200 -0.101 0.000 2.077 246 E HA -0.257 4.093 4.350 0.001 0.000 0.193 246 E C 1.875 178.389 176.600 -0.142 0.000 0.989 246 E CA 1.605 57.914 56.400 -0.152 0.000 0.800 246 E CB -0.115 29.566 29.700 -0.030 0.000 0.746 246 E HN 0.599 nan 8.360 nan 0.000 0.452 247 D N 0.263 120.624 120.400 -0.064 0.000 2.144 247 D HA -0.160 4.480 4.640 0.001 0.000 0.199 247 D C 2.032 178.317 176.300 -0.024 0.000 0.984 247 D CA 0.796 54.778 54.000 -0.031 0.000 0.834 247 D CB -0.127 40.669 40.800 -0.007 0.000 0.955 247 D HN 0.281 nan 8.370 nan 0.000 0.465 248 L N 0.312 121.506 121.223 -0.048 0.000 2.056 248 L HA -0.092 4.248 4.340 0.001 0.000 0.207 248 L C 2.510 179.373 176.870 -0.012 0.000 1.078 248 L CA 0.578 55.408 54.840 -0.016 0.000 0.749 248 L CB -0.211 41.772 42.059 -0.126 0.000 0.901 248 L HN -0.001 nan 8.230 nan 0.000 0.433 249 I N -0.987 119.500 120.570 -0.138 0.000 2.163 249 I HA -0.292 3.878 4.170 0.001 0.000 0.243 249 I C 2.458 178.520 176.117 -0.092 0.000 1.085 249 I CA 1.182 62.375 61.300 -0.179 0.000 1.347 249 I CB -0.311 37.444 38.000 -0.408 0.000 1.044 249 I HN 0.015 nan 8.210 nan 0.000 0.408 250 V N 0.965 120.820 119.914 -0.098 0.000 2.295 250 V HA -0.327 3.793 4.120 0.001 0.000 0.246 250 V C 2.543 178.650 176.094 0.023 0.000 1.049 250 V CA 2.081 64.374 62.300 -0.012 0.000 1.024 250 V CB -0.682 31.146 31.823 0.010 0.000 0.648 250 V HN 0.421 nan 8.190 nan 0.000 0.447 251 K N -1.065 119.363 120.400 0.047 0.000 2.063 251 K HA -0.224 4.096 4.320 0.001 0.000 0.208 251 K C 2.138 178.745 176.600 0.013 0.000 1.048 251 K CA 1.991 58.306 56.287 0.047 0.000 0.928 251 K CB -0.256 32.303 32.500 0.100 0.000 0.713 251 K HN 0.492 nan 8.250 nan 0.000 0.442 252 Y N -0.016 120.252 120.300 -0.052 0.000 2.395 252 Y HA -0.103 4.448 4.550 0.001 0.000 0.293 252 Y C 2.744 178.608 175.900 -0.059 0.000 1.123 252 Y CA 0.771 58.843 58.100 -0.048 0.000 1.227 252 Y CB -0.281 38.141 38.460 -0.064 0.000 1.012 252 Y HN -0.037 nan 8.280 nan 0.000 0.552 253 R N 0.798 121.325 120.500 0.044 0.000 2.083 253 R HA -0.159 4.181 4.340 0.001 0.000 0.237 253 R C 2.050 178.342 176.300 -0.013 0.000 1.137 253 R CA 2.044 58.142 56.100 -0.002 0.000 0.951 253 R CB -0.619 29.689 30.300 0.014 0.000 0.851 253 R HN 0.450 nan 8.270 nan 0.000 0.434 254 K N 0.077 120.465 120.400 -0.020 0.000 2.148 254 K HA -0.029 4.292 4.320 0.001 0.000 0.204 254 K C 2.233 178.799 176.600 -0.056 0.000 1.050 254 K CA 1.747 58.016 56.287 -0.030 0.000 0.942 254 K CB -0.101 32.382 32.500 -0.028 0.000 0.724 254 K HN 0.275 nan 8.250 nan 0.000 0.446 255 K N 0.865 121.200 120.400 -0.108 0.000 2.555 255 K HA 0.008 4.328 4.320 0.001 0.000 0.193 255 K C -0.160 176.403 176.600 -0.063 0.000 1.032 255 K CA 0.376 56.582 56.287 -0.135 0.000 1.004 255 K CB 0.103 32.418 32.500 -0.309 0.000 0.804 255 K HN 0.047 nan 8.250 nan 0.000 0.496 256 K N 0.289 120.674 120.400 -0.024 0.000 3.129 256 K HA -0.211 4.109 4.320 0.001 0.000 0.273 256 K C -0.780 175.861 176.600 0.069 0.000 1.123 256 K CA 0.886 57.188 56.287 0.026 0.000 0.800 256 K CB -1.291 31.231 32.500 0.037 0.000 1.238 256 K HN 0.194 nan 8.250 nan 0.000 0.492 257 K N 1.191 121.622 120.400 0.052 0.000 3.122 257 K HA 0.117 4.437 4.320 0.001 0.000 0.193 257 K C -0.422 176.214 176.600 0.061 0.000 1.141 257 K CA -0.324 56.042 56.287 0.132 0.000 0.975 257 K CB 0.972 33.595 32.500 0.206 0.000 1.173 257 K HN 0.029 nan 8.250 nan 0.000 0.546 258 T N 1.215 115.692 114.554 -0.129 0.000 2.891 258 T HA -0.057 4.293 4.350 0.001 0.000 0.296 258 T C 0.585 175.027 174.700 -0.430 0.000 1.025 258 T CA 0.113 61.989 62.100 -0.374 0.000 1.149 258 T CB 0.542 68.930 68.868 -0.800 0.000 1.007 258 T HN 0.010 nan 8.240 nan 0.000 0.528 259 V N 4.007 123.732 119.914 -0.314 0.000 2.397 259 V HA 0.242 4.362 4.120 0.001 0.000 0.262 259 V C 1.281 177.143 176.094 -0.387 0.000 1.047 259 V CA 0.032 62.145 62.300 -0.312 0.000 1.003 259 V CB 0.035 31.729 31.823 -0.215 0.000 1.037 259 V HN 1.136 nan 8.190 nan 0.000 0.480 260 A N 4.175 126.732 122.820 -0.438 0.000 2.021 260 A HA 0.536 4.856 4.320 0.001 0.000 0.216 260 A C 1.161 178.783 177.584 0.063 0.000 1.163 260 A CA 1.000 52.824 52.037 -0.356 0.000 0.676 260 A CB 0.040 18.955 19.000 -0.143 0.000 0.818 260 A HN 0.981 nan 8.150 nan 0.000 0.453 261 G N -1.531 107.198 108.800 -0.118 0.000 2.677 261 G HA2 0.537 4.498 3.960 0.001 0.000 0.291 261 G HA3 0.537 4.498 3.960 0.001 0.000 0.291 261 G C -1.415 173.417 174.900 -0.114 0.000 1.435 261 G CA -0.591 44.469 45.100 -0.067 0.000 0.826 261 G HN 0.096 nan 8.290 nan 0.000 0.491 262 I N 0.931 121.506 120.570 0.008 0.000 2.433 262 I HA 0.496 4.666 4.170 0.001 0.000 0.292 262 I C -0.569 175.573 176.117 0.042 0.000 1.001 262 I CA -0.783 60.561 61.300 0.073 0.000 1.119 262 I CB 2.141 40.308 38.000 0.278 0.000 1.289 262 I HN 0.392 nan 8.210 nan 0.000 0.438 263 I N 7.207 127.801 120.570 0.040 0.000 2.474 263 I HA 0.705 4.875 4.170 0.001 0.000 0.294 263 I C -1.440 174.809 176.117 0.221 0.000 1.005 263 I CA -0.572 60.712 61.300 -0.028 0.000 1.113 263 I CB 1.807 39.690 38.000 -0.195 0.000 1.289 263 I HN 0.389 nan 8.210 nan 0.000 0.436 264 V N 6.551 126.574 119.914 0.182 0.000 3.120 264 V HA 0.422 4.543 4.120 0.001 0.000 0.303 264 V C -1.124 175.168 176.094 0.331 0.000 1.238 264 V CA -0.445 62.086 62.300 0.386 0.000 1.008 264 V CB 2.582 34.658 31.823 0.421 0.000 1.064 264 V HN 0.840 nan 8.190 nan 0.000 0.434 265 E N 5.621 126.024 120.200 0.339 0.000 2.266 265 E HA 0.351 4.701 4.350 0.001 0.000 0.277 265 E C -1.962 174.760 176.600 0.203 0.000 1.018 265 E CA -1.615 54.905 56.400 0.200 0.000 0.840 265 E CB 1.734 31.483 29.700 0.081 0.000 1.082 265 E HN 0.507 nan 8.360 nan 0.000 0.395 266 P HA -0.075 nan 4.420 nan 0.000 0.220 266 P C -0.325 176.940 177.300 -0.060 0.000 1.148 266 P CA 1.249 64.247 63.100 -0.170 0.000 0.803 266 P CB 0.331 31.921 31.700 -0.183 0.000 0.782 267 I N -1.288 119.218 120.570 -0.107 0.000 2.548 267 I HA 0.168 4.338 4.170 0.001 0.000 0.287 267 I C -0.284 175.746 176.117 -0.144 0.000 1.103 267 I CA -0.847 60.336 61.300 -0.195 0.000 1.049 267 I CB 2.354 40.009 38.000 -0.574 0.000 1.232 267 I HN -0.310 nan 8.210 nan 0.000 0.429 268 Q N 3.597 123.262 119.800 -0.224 0.000 2.297 268 Q HA 0.246 4.586 4.340 0.001 0.000 0.267 268 Q C 0.202 176.180 176.000 -0.035 0.000 1.006 268 Q CA -0.040 55.633 55.803 -0.215 0.000 0.896 268 Q CB 1.687 30.161 28.738 -0.440 0.000 1.186 268 Q HN 0.700 nan 8.270 nan 0.000 0.392 269 S N 2.207 117.924 115.700 0.028 0.000 2.339 269 S HA -0.063 4.407 4.470 0.001 0.000 0.189 269 S C 1.290 175.872 174.600 -0.031 0.000 0.966 269 S CA -0.019 58.215 58.200 0.056 0.000 0.925 269 S CB 0.124 63.377 63.200 0.088 0.000 0.890 269 S HN 0.594 nan 8.310 nan 0.000 0.539 270 E N 1.343 121.487 120.200 -0.093 0.000 2.171 270 E HA -0.105 4.246 4.350 0.001 0.000 0.197 270 E C 1.913 178.486 176.600 -0.045 0.000 0.997 270 E CA 1.119 57.422 56.400 -0.162 0.000 0.810 270 E CB -0.844 28.572 29.700 -0.474 0.000 0.738 270 E HN 0.563 nan 8.360 nan 0.000 0.467 271 G N -0.270 108.534 108.800 0.007 0.000 2.598 271 G HA2 0.106 4.067 3.960 0.001 0.000 0.215 271 G HA3 0.106 4.067 3.960 0.001 0.000 0.215 271 G C 0.932 175.837 174.900 0.007 0.000 1.131 271 G CA 0.582 45.697 45.100 0.026 0.000 0.785 271 G HN 0.427 nan 8.290 nan 0.000 0.539 272 G N -0.061 108.735 108.800 -0.007 0.000 2.223 272 G HA2 0.022 3.982 3.960 0.001 0.000 0.200 272 G HA3 0.022 3.982 3.960 0.001 0.000 0.200 272 G C -0.250 174.670 174.900 0.034 0.000 1.061 272 G CA -0.061 45.038 45.100 -0.001 0.000 0.790 272 G HN 0.199 nan 8.290 nan 0.000 0.498 273 D N 0.406 120.833 120.400 0.046 0.000 2.802 273 D HA -0.146 4.495 4.640 0.001 0.000 0.229 273 D C 0.230 176.655 176.300 0.210 0.000 1.203 273 D CA 1.165 55.245 54.000 0.134 0.000 0.712 273 D CB -0.570 40.329 40.800 0.165 0.000 0.973 273 D HN 0.534 nan 8.370 nan 0.000 0.407 274 N N 1.581 120.351 118.700 0.117 0.000 2.419 274 N HA 0.153 4.893 4.740 0.001 0.000 0.264 274 N C 0.099 175.807 175.510 0.330 0.000 1.031 274 N CA -0.013 53.184 53.050 0.245 0.000 0.951 274 N CB 0.801 39.381 38.487 0.155 0.000 1.101 274 N HN 0.396 nan 8.380 nan 0.000 0.488 275 H N 0.224 119.519 119.070 0.376 0.000 2.525 275 H HA 0.701 5.257 4.556 0.001 0.000 0.340 275 H C -0.377 175.150 175.328 0.331 0.000 1.168 275 H CA -0.826 55.457 56.048 0.391 0.000 1.247 275 H CB 1.965 31.911 29.762 0.307 0.000 1.568 275 H HN 0.571 nan 8.280 nan 0.000 0.536 276 A N 1.124 124.197 122.820 0.421 0.000 2.566 276 A HA 0.416 4.736 4.320 0.001 0.000 0.292 276 A C -0.271 177.458 177.584 0.241 0.000 1.112 276 A CA -0.715 51.322 52.037 0.001 0.000 0.707 276 A CB 1.298 19.858 19.000 -0.733 0.000 1.302 276 A HN 0.720 nan 8.150 nan 0.000 0.409 277 S N 0.252 116.010 115.700 0.097 0.000 2.593 277 S HA 0.201 4.672 4.470 0.001 0.000 0.269 277 S C 0.102 174.889 174.600 0.311 0.000 1.334 277 S CA 0.179 58.492 58.200 0.188 0.000 1.015 277 S CB 0.591 63.847 63.200 0.093 0.000 0.912 277 S HN 0.547 nan 8.310 nan 0.000 0.541 278 D N 1.102 121.688 120.400 0.309 0.000 2.149 278 D HA -0.141 4.500 4.640 0.001 0.000 0.198 278 D C 1.417 177.782 176.300 0.108 0.000 0.990 278 D CA 1.775 55.954 54.000 0.297 0.000 0.839 278 D CB -0.593 40.416 40.800 0.347 0.000 0.948 278 D HN 0.875 nan 8.370 nan 0.000 0.460 279 D N -0.498 119.958 120.400 0.094 0.000 2.123 279 D HA -0.207 4.433 4.640 0.001 0.000 0.196 279 D C 1.901 178.171 176.300 -0.051 0.000 0.992 279 D CA 0.708 54.721 54.000 0.021 0.000 0.833 279 D CB -0.256 40.565 40.800 0.034 0.000 0.954 279 D HN 0.136 nan 8.370 nan 0.000 0.455 280 F N -0.146 119.683 119.950 -0.203 0.000 2.091 280 F HA -0.175 4.352 4.527 0.001 0.000 0.299 280 F C 1.724 177.222 175.800 -0.503 0.000 1.103 280 F CA 1.535 59.310 58.000 -0.375 0.000 1.228 280 F CB -0.555 38.127 39.000 -0.528 0.000 0.984 280 F HN -0.004 nan 8.300 nan 0.000 0.477 281 F N 0.397 120.057 119.950 -0.484 0.000 2.186 281 F HA -0.057 4.471 4.527 0.001 0.000 0.299 281 F C 2.540 177.846 175.800 -0.825 0.000 1.090 281 F CA 1.297 58.766 58.000 -0.887 0.000 1.307 281 F CB -0.558 37.487 39.000 -1.593 0.000 1.019 281 F HN -0.202 nan 8.300 nan 0.000 0.489 282 R N 0.478 120.733 120.500 -0.408 0.000 2.081 282 R HA -0.163 4.177 4.340 0.001 0.000 0.235 282 R C 2.062 178.188 176.300 -0.290 0.000 1.131 282 R CA 1.515 57.467 56.100 -0.247 0.000 0.960 282 R CB -0.384 29.861 30.300 -0.092 0.000 0.856 282 R HN 0.260 nan 8.270 nan 0.000 0.436 283 K N 0.321 120.527 120.400 -0.323 0.000 2.097 283 K HA -0.114 4.206 4.320 0.001 0.000 0.205 283 K C 1.993 178.352 176.600 -0.401 0.000 1.050 283 K CA 0.743 56.848 56.287 -0.304 0.000 0.938 283 K CB -0.131 32.214 32.500 -0.259 0.000 0.718 283 K HN 0.006 nan 8.250 nan 0.000 0.442 284 L N 1.384 122.242 121.223 -0.607 0.000 2.056 284 L HA -0.112 4.228 4.340 0.001 0.000 0.207 284 L C 2.221 178.686 176.870 -0.675 0.000 1.078 284 L CA 1.619 56.098 54.840 -0.601 0.000 0.749 284 L CB -0.349 41.279 42.059 -0.719 0.000 0.901 284 L HN 0.042 nan 8.230 nan 0.000 0.433 285 R N -0.231 119.742 120.500 -0.879 0.000 2.096 285 R HA -0.158 4.182 4.340 0.001 0.000 0.235 285 R C 1.745 177.748 176.300 -0.495 0.000 1.127 285 R CA 1.696 57.162 56.100 -1.055 0.000 0.968 285 R CB -0.510 29.385 30.300 -0.674 0.000 0.861 285 R HN 0.444 nan 8.270 nan 0.000 0.440 286 D N 0.350 120.554 120.400 -0.325 0.000 2.117 286 D HA -0.107 4.533 4.640 0.001 0.000 0.198 286 D C 1.983 178.204 176.300 -0.132 0.000 0.982 286 D CA 0.979 54.872 54.000 -0.180 0.000 0.828 286 D CB -0.161 40.555 40.800 -0.140 0.000 0.967 286 D HN 0.269 nan 8.370 nan 0.000 0.464 287 I N 0.221 120.704 120.570 -0.145 0.000 2.226 287 I HA -0.250 3.921 4.170 0.001 0.000 0.245 287 I C 2.498 178.647 176.117 0.052 0.000 1.100 287 I CA 0.732 62.024 61.300 -0.014 0.000 1.374 287 I CB -0.161 37.815 38.000 -0.040 0.000 1.057 287 I HN -0.077 nan 8.210 nan 0.000 0.413 288 S N 0.496 116.150 115.700 -0.076 0.000 2.359 288 S HA -0.271 4.200 4.470 0.001 0.000 0.223 288 S C 2.276 176.928 174.600 0.087 0.000 1.039 288 S CA 1.729 59.937 58.200 0.014 0.000 1.042 288 S CB -0.269 62.888 63.200 -0.073 0.000 0.915 288 S HN 0.321 nan 8.310 nan 0.000 0.439 289 R N 0.874 121.384 120.500 0.016 0.000 2.081 289 R HA -0.097 4.244 4.340 0.001 0.000 0.235 289 R C 2.452 178.779 176.300 0.045 0.000 1.131 289 R CA 1.814 57.947 56.100 0.056 0.000 0.960 289 R CB -0.373 29.933 30.300 0.010 0.000 0.856 289 R HN 0.407 nan 8.270 nan 0.000 0.436 290 K N -0.438 119.957 120.400 -0.008 0.000 2.074 290 K HA -0.192 4.128 4.320 0.001 0.000 0.209 290 K C 1.198 177.686 176.600 -0.186 0.000 1.048 290 K CA 1.740 57.959 56.287 -0.112 0.000 0.926 290 K CB -0.110 32.288 32.500 -0.170 0.000 0.713 290 K HN 0.438 nan 8.250 nan 0.000 0.444 291 H N -1.454 117.638 119.070 0.037 0.000 2.529 291 H HA 0.129 4.685 4.556 0.001 0.000 0.277 291 H C 0.753 176.151 175.328 0.117 0.000 1.004 291 H CA 0.654 56.737 56.048 0.058 0.000 1.167 291 H CB 0.884 30.671 29.762 0.042 0.000 1.445 291 H HN 0.572 nan 8.280 nan 0.000 0.554 292 G N 1.359 110.292 108.800 0.222 0.000 2.176 292 G HA2 -0.291 3.669 3.960 0.001 0.000 0.252 292 G HA3 -0.291 3.669 3.960 0.001 0.000 0.252 292 G C 0.137 175.341 174.900 0.508 0.000 1.024 292 G CA 0.280 45.548 45.100 0.280 0.000 0.755 292 G HN 0.406 nan 8.290 nan 0.000 0.507 293 C N 1.074 120.628 119.300 0.424 0.000 2.369 293 C HA 0.781 5.241 4.460 0.001 0.000 0.358 293 C C 1.334 176.548 174.990 0.375 0.000 1.274 293 C CA -0.337 58.930 59.018 0.414 0.000 1.935 293 C CB 0.413 28.286 27.740 0.221 0.000 2.431 293 C HN 1.167 nan 8.230 nan 0.000 0.545 294 A N 2.906 125.937 122.820 0.352 0.000 2.511 294 A HA 0.409 4.729 4.320 0.001 0.000 0.242 294 A C -0.536 177.098 177.584 0.084 0.000 1.069 294 A CA 0.099 52.155 52.037 0.031 0.000 0.763 294 A CB -0.037 18.888 19.000 -0.125 0.000 1.001 294 A HN 0.777 nan 8.150 nan 0.000 0.498 295 F N 3.472 123.331 119.950 -0.152 0.000 2.334 295 F HA 0.444 4.971 4.527 0.001 0.000 0.367 295 F C -0.317 175.396 175.800 -0.145 0.000 1.115 295 F CA -1.080 56.868 58.000 -0.087 0.000 1.116 295 F CB 0.837 39.820 39.000 -0.028 0.000 1.230 295 F HN 0.466 nan 8.300 nan 0.000 0.484 296 L N 7.600 128.564 121.223 -0.433 0.000 2.276 296 L HA 0.519 4.859 4.340 0.001 0.000 0.286 296 L C -1.294 175.280 176.870 -0.495 0.000 1.024 296 L CA -0.634 53.955 54.840 -0.419 0.000 0.826 296 L CB 1.022 42.914 42.059 -0.278 0.000 1.211 296 L HN 0.277 nan 8.230 nan 0.000 0.422 297 V N 3.983 123.633 119.914 -0.440 0.000 2.370 297 V HA 0.204 4.324 4.120 0.001 0.000 0.279 297 V C -0.141 175.864 176.094 -0.149 0.000 1.029 297 V CA -0.615 61.504 62.300 -0.301 0.000 0.870 297 V CB 1.541 33.192 31.823 -0.287 0.000 0.984 297 V HN 0.598 nan 8.190 nan 0.000 0.451 298 D N 4.295 124.675 120.400 -0.033 0.000 2.411 298 D HA 0.175 4.815 4.640 0.001 0.000 0.225 298 D C 0.563 176.919 176.300 0.093 0.000 1.156 298 D CA -0.173 53.857 54.000 0.050 0.000 0.874 298 D CB 0.975 41.894 40.800 0.198 0.000 1.034 298 D HN 0.574 nan 8.370 nan 0.000 0.502 299 E N 2.884 123.146 120.200 0.103 0.000 2.496 299 E HA 0.049 4.399 4.350 0.001 0.000 0.200 299 E C 1.584 178.342 176.600 0.264 0.000 1.016 299 E CA -0.102 56.409 56.400 0.186 0.000 0.962 299 E CB 1.002 30.857 29.700 0.258 0.000 1.071 299 E HN 0.343 nan 8.360 nan 0.000 0.457 300 V N 0.782 120.817 119.914 0.203 0.000 2.332 300 V HA -0.292 3.828 4.120 0.001 0.000 0.248 300 V C 2.359 178.560 176.094 0.179 0.000 1.055 300 V CA 2.094 64.513 62.300 0.199 0.000 1.038 300 V CB -0.210 31.697 31.823 0.139 0.000 0.651 300 V HN 0.306 nan 8.190 nan 0.000 0.450 301 Q N -0.709 119.191 119.800 0.167 0.000 2.394 301 Q HA -0.078 4.262 4.340 0.001 0.000 0.218 301 Q C 2.217 178.362 176.000 0.242 0.000 0.907 301 Q CA 1.108 57.013 55.803 0.169 0.000 0.919 301 Q CB 0.259 29.101 28.738 0.173 0.000 1.051 301 Q HN 0.790 nan 8.270 nan 0.000 0.538 302 T N -2.502 112.142 114.554 0.151 0.000 3.043 302 T HA 0.155 4.505 4.350 0.001 0.000 0.263 302 T C 0.978 175.689 174.700 0.018 0.000 1.094 302 T CA 0.318 62.410 62.100 -0.015 0.000 1.127 302 T CB -0.074 68.659 68.868 -0.226 0.000 0.905 302 T HN 0.216 nan 8.240 nan 0.000 0.490 303 G N -0.409 108.478 108.800 0.145 0.000 2.503 303 G HA2 0.445 4.405 3.960 0.001 0.000 0.257 303 G HA3 0.445 4.405 3.960 0.001 0.000 0.257 303 G C 0.939 175.689 174.900 -0.249 0.000 1.214 303 G CA -0.183 45.007 45.100 0.150 0.000 0.839 303 G HN 1.130 nan 8.290 nan 0.000 0.559 304 G N -0.954 107.329 108.800 -0.862 0.000 2.184 304 G HA2 0.283 4.243 3.960 0.001 0.000 0.206 304 G HA3 0.283 4.243 3.960 0.001 0.000 0.206 304 G C 1.195 175.493 174.900 -1.004 0.000 0.995 304 G CA 0.817 45.269 45.100 -1.080 0.000 0.651 304 G HN 2.534 nan 8.290 nan 0.000 0.511 305 G N -0.653 107.660 108.800 -0.812 0.000 2.218 305 G HA2 -0.020 3.940 3.960 0.001 0.000 0.216 305 G HA3 -0.020 3.940 3.960 0.001 0.000 0.216 305 G C 1.747 176.505 174.900 -0.238 0.000 0.994 305 G CA 1.508 46.291 45.100 -0.529 0.000 0.637 305 G HN 2.168 nan 8.290 nan 0.000 0.505 306 S N 0.483 116.087 115.700 -0.159 0.000 2.442 306 S HA -0.073 4.398 4.470 0.001 0.000 0.236 306 S C 2.226 176.851 174.600 0.041 0.000 1.007 306 S CA 2.287 60.468 58.200 -0.030 0.000 0.965 306 S CB -0.746 62.475 63.200 0.034 0.000 0.773 306 S HN 1.542 nan 8.310 nan 0.000 0.504 307 T N -2.740 111.828 114.554 0.025 0.000 3.148 307 T HA 0.473 4.824 4.350 0.001 0.000 0.253 307 T C 1.589 176.391 174.700 0.171 0.000 1.134 307 T CA 0.730 62.881 62.100 0.085 0.000 1.051 307 T CB -0.321 68.580 68.868 0.055 0.000 0.959 307 T HN 1.147 nan 8.240 nan 0.000 0.525 308 G N 0.780 109.624 108.800 0.073 0.000 2.213 308 G HA2 -0.166 3.795 3.960 0.001 0.000 0.226 308 G HA3 -0.166 3.795 3.960 0.001 0.000 0.226 308 G C -0.036 174.852 174.900 -0.019 0.000 0.992 308 G CA -0.079 45.063 45.100 0.069 0.000 0.632 308 G HN 0.624 nan 8.290 nan 0.000 0.511 309 K N -0.848 119.484 120.400 -0.114 0.000 2.385 309 K HA 0.597 4.917 4.320 0.001 0.000 0.248 309 K C 0.422 176.857 176.600 -0.277 0.000 0.955 309 K CA -0.974 55.160 56.287 -0.256 0.000 0.816 309 K CB 1.835 34.016 32.500 -0.531 0.000 1.250 309 K HN -0.029 nan 8.250 nan 0.000 0.434 310 F N 0.715 120.411 119.950 -0.423 0.000 2.069 310 F HA -0.128 4.400 4.527 0.001 0.000 0.298 310 F C 0.125 175.458 175.800 -0.779 0.000 1.113 310 F CA 1.602 59.215 58.000 -0.645 0.000 1.214 310 F CB 0.243 38.757 39.000 -0.810 0.000 0.978 310 F HN 0.451 nan 8.300 nan 0.000 0.474 311 W N -1.207 119.990 121.300 -0.173 0.000 2.478 311 W HA 0.527 5.187 4.660 0.000 0.000 0.318 311 W C 0.934 177.148 176.519 -0.508 0.000 1.062 311 W CA -0.558 56.582 57.345 -0.341 0.000 1.210 311 W CB 1.145 30.307 29.460 -0.495 0.000 1.325 311 W HN -0.084 nan 8.180 nan 0.000 0.496 312 A N 1.847 124.577 122.820 -0.149 0.000 1.978 312 A HA -0.277 4.043 4.320 0.001 0.000 0.220 312 A C 1.909 179.232 177.584 -0.434 0.000 1.170 312 A CA 2.038 53.962 52.037 -0.188 0.000 0.636 312 A CB -1.184 17.704 19.000 -0.185 0.000 0.810 312 A HN 0.863 nan 8.150 nan 0.000 0.448 313 H N -0.955 117.702 119.070 -0.688 0.000 2.491 313 H HA -0.003 4.553 4.556 0.000 0.000 0.290 313 H C 1.378 176.103 175.328 -1.006 0.000 1.050 313 H CA 1.236 56.323 56.048 -1.602 0.000 1.309 313 H CB -0.344 28.468 29.762 -1.584 0.000 1.392 313 H HN 0.624 nan 8.280 nan 0.000 0.554 314 E N 0.595 120.273 120.200 -0.870 0.000 2.209 314 E HA -0.170 4.181 4.350 0.001 0.000 0.196 314 E C 1.813 178.242 176.600 -0.285 0.000 0.993 314 E CA 0.579 56.690 56.400 -0.481 0.000 0.819 314 E CB -0.101 29.321 29.700 -0.462 0.000 0.745 314 E HN 0.676 nan 8.360 nan 0.000 0.477 315 H N -0.802 118.149 119.070 -0.199 0.000 2.457 315 H HA -0.145 4.412 4.556 0.001 0.000 0.297 315 H C 1.496 176.952 175.328 0.213 0.000 1.092 315 H CA 1.007 57.061 56.048 0.009 0.000 1.309 315 H CB -0.076 29.713 29.762 0.044 0.000 1.382 315 H HN 0.395 nan 8.280 nan 0.000 0.535 316 W N 0.270 121.682 121.300 0.187 0.000 2.465 316 W HA 0.099 4.759 4.660 0.001 0.000 0.268 316 W C 1.714 178.312 176.519 0.132 0.000 1.242 316 W CA 1.100 58.551 57.345 0.177 0.000 1.248 316 W CB -0.826 28.752 29.460 0.196 0.000 1.118 316 W HN 0.348 nan 8.180 nan 0.000 0.587 317 G N 0.345 109.317 108.800 0.288 0.000 2.147 317 G HA2 -0.298 3.662 3.960 0.001 0.000 0.244 317 G HA3 -0.298 3.662 3.960 0.001 0.000 0.244 317 G C 0.018 175.021 174.900 0.172 0.000 1.005 317 G CA -0.028 45.179 45.100 0.179 0.000 0.713 317 G HN 0.181 nan 8.290 nan 0.000 0.515 318 L N -0.011 121.349 121.223 0.228 0.000 2.375 318 L HA 0.391 4.732 4.340 0.001 0.000 0.271 318 L C 1.136 178.085 176.870 0.132 0.000 1.107 318 L CA -0.946 54.008 54.840 0.188 0.000 0.806 318 L CB 0.783 42.995 42.059 0.255 0.000 1.146 318 L HN -0.068 nan 8.230 nan 0.000 0.447 319 D N 0.282 120.738 120.400 0.093 0.000 2.183 319 D HA -0.090 4.550 4.640 0.001 0.000 0.203 319 D C 0.351 176.688 176.300 0.061 0.000 0.969 319 D CA 1.345 55.383 54.000 0.064 0.000 0.842 319 D CB 0.198 41.026 40.800 0.047 0.000 0.957 319 D HN 0.444 nan 8.370 nan 0.000 0.484 320 D N -0.346 120.100 120.400 0.077 0.000 2.441 320 D HA 0.114 4.754 4.640 0.001 0.000 0.287 320 D C -1.931 174.435 176.300 0.109 0.000 1.198 320 D CA -1.834 52.207 54.000 0.069 0.000 0.894 320 D CB 1.333 42.167 40.800 0.057 0.000 1.070 320 D HN -0.082 nan 8.370 nan 0.000 0.499 321 P HA 0.175 nan 4.420 nan 0.000 0.224 321 P C -0.029 177.440 177.300 0.281 0.000 1.157 321 P CA 0.463 63.701 63.100 0.231 0.000 0.799 321 P CB 0.643 32.392 31.700 0.081 0.000 0.809 322 A N -0.938 121.945 122.820 0.106 0.000 2.566 322 A HA 0.406 4.726 4.320 0.001 0.000 0.290 322 A C -0.244 177.312 177.584 -0.047 0.000 1.071 322 A CA -0.458 51.652 52.037 0.122 0.000 0.658 322 A CB -0.015 18.923 19.000 -0.104 0.000 1.285 322 A HN -0.225 nan 8.150 nan 0.000 0.427 323 D N -0.768 119.539 120.400 -0.155 0.000 2.262 323 D HA 0.247 4.887 4.640 0.001 0.000 0.212 323 D C 0.158 176.159 176.300 -0.498 0.000 0.964 323 D CA 1.472 55.222 54.000 -0.417 0.000 0.875 323 D CB 0.696 41.032 40.800 -0.774 0.000 0.996 323 D HN 0.289 nan 8.370 nan 0.000 0.497 324 V N 1.330 120.995 119.914 -0.415 0.000 2.808 324 V HA 0.396 4.516 4.120 0.001 0.000 0.308 324 V C -0.684 175.276 176.094 -0.223 0.000 1.099 324 V CA -0.702 61.428 62.300 -0.284 0.000 0.920 324 V CB 2.986 34.552 31.823 -0.428 0.000 1.014 324 V HN -0.012 nan 8.190 nan 0.000 0.425 325 M N 4.363 123.917 119.600 -0.076 0.000 2.213 325 M HA 0.547 5.027 4.480 0.001 0.000 0.286 325 M C -0.418 175.920 176.300 0.063 0.000 1.008 325 M CA -0.191 55.047 55.300 -0.103 0.000 0.937 325 M CB 2.129 34.588 32.600 -0.235 0.000 1.600 325 M HN 0.939 nan 8.290 nan 0.000 0.450 326 T N 1.581 116.123 114.554 -0.021 0.000 2.934 326 T HA 0.843 5.193 4.350 0.001 0.000 0.283 326 T C -0.575 174.182 174.700 0.096 0.000 1.005 326 T CA -0.515 61.564 62.100 -0.035 0.000 1.041 326 T CB 1.330 70.099 68.868 -0.166 0.000 1.042 326 T HN 0.574 nan 8.240 nan 0.000 0.505 327 F N -1.708 118.293 119.950 0.084 0.000 2.711 327 F HA 0.888 5.416 4.527 0.000 0.000 0.313 327 F C -0.247 175.640 175.800 0.145 0.000 1.141 327 F CA -0.977 57.127 58.000 0.173 0.000 0.941 327 F CB 1.337 40.539 39.000 0.337 0.000 1.349 327 F HN 0.900 nan 8.300 nan 0.000 0.464 328 S N -0.337 115.602 115.700 0.399 0.000 3.675 328 S HA 0.340 4.810 4.470 0.001 0.000 0.283 328 S C -0.364 174.358 174.600 0.203 0.000 1.163 328 S CA 0.011 58.358 58.200 0.245 0.000 1.517 328 S CB -0.278 62.965 63.200 0.070 0.000 1.619 328 S HN 0.998 nan 8.310 nan 0.000 0.352 329 K N 0.395 120.854 120.400 0.099 0.000 1.754 329 K HA -0.352 3.968 4.320 0.001 0.000 0.133 329 K C 1.202 177.820 176.600 0.030 0.000 0.942 329 K CA 1.960 58.269 56.287 0.037 0.000 0.309 329 K CB -1.440 31.068 32.500 0.013 0.000 0.695 329 K HN 0.472 nan 8.250 nan 0.000 0.828 330 K N 0.395 120.797 120.400 0.002 0.000 2.144 330 K HA -0.111 4.209 4.320 0.001 0.000 0.209 330 K C 1.999 178.602 176.600 0.006 0.000 1.047 330 K CA 2.307 58.571 56.287 -0.040 0.000 0.927 330 K CB -0.070 32.366 32.500 -0.107 0.000 0.716 330 K HN 0.267 nan 8.250 nan 0.000 0.454 331 M N -0.239 119.424 119.600 0.105 0.000 2.630 331 M HA -0.007 4.473 4.480 0.001 0.000 0.254 331 M C 0.688 177.070 176.300 0.136 0.000 1.092 331 M CA 0.985 56.380 55.300 0.159 0.000 1.087 331 M CB -0.477 32.330 32.600 0.345 0.000 1.453 331 M HN 0.230 nan 8.290 nan 0.000 0.509 332 M N -2.668 116.989 119.600 0.095 0.000 2.866 332 M HA -0.215 4.265 4.480 0.001 0.000 0.168 332 M C 0.832 177.181 176.300 0.081 0.000 0.666 332 M CA 2.051 57.389 55.300 0.062 0.000 0.642 332 M CB -2.237 30.389 32.600 0.042 0.000 2.332 332 M HN 0.387 nan 8.290 nan 0.000 0.269 333 T N 1.239 115.874 114.554 0.136 0.000 2.945 333 T HA 0.692 5.043 4.350 0.001 0.000 0.286 333 T C 0.513 175.344 174.700 0.218 0.000 1.025 333 T CA 0.231 62.415 62.100 0.140 0.000 1.039 333 T CB 1.881 70.832 68.868 0.138 0.000 1.068 333 T HN 0.554 nan 8.240 nan 0.000 0.497 334 G N 0.095 108.935 108.800 0.067 0.000 2.532 334 G HA2 0.732 4.693 3.960 0.001 0.000 0.291 334 G HA3 0.732 4.693 3.960 0.001 0.000 0.291 334 G C 0.269 174.895 174.900 -0.458 0.000 1.349 334 G CA -0.180 44.826 45.100 -0.156 0.000 1.038 334 G HN 1.407 nan 8.290 nan 0.000 0.518 335 G N -2.186 106.077 108.800 -0.895 0.000 2.357 335 G HA2 0.529 4.489 3.960 0.001 0.000 0.289 335 G HA3 0.529 4.489 3.960 0.001 0.000 0.289 335 G C -1.230 173.146 174.900 -0.873 0.000 1.302 335 G CA -0.216 44.410 45.100 -0.790 0.000 0.936 335 G HN 1.754 nan 8.290 nan 0.000 0.513 336 F N -1.962 117.678 119.950 -0.516 0.000 2.604 336 F HA 0.784 5.311 4.527 0.001 0.000 0.316 336 F C -0.828 174.961 175.800 -0.018 0.000 1.136 336 F CA -1.780 56.085 58.000 -0.225 0.000 0.989 336 F CB 0.785 39.657 39.000 -0.213 0.000 1.258 336 F HN 0.452 nan 8.300 nan 0.000 0.451 337 F N 2.114 122.220 119.950 0.260 0.000 2.406 337 F HA 0.615 5.142 4.527 0.000 0.000 0.327 337 F C 0.566 176.486 175.800 0.201 0.000 1.153 337 F CA 0.385 58.439 58.000 0.090 0.000 1.218 337 F CB 0.709 39.676 39.000 -0.056 0.000 1.215 337 F HN 0.841 nan 8.300 nan 0.000 0.570 338 H N -2.400 116.763 119.070 0.154 0.000 2.987 338 H HA 0.434 4.991 4.556 0.001 0.000 0.316 338 H C -1.608 173.747 175.328 0.045 0.000 1.380 338 H CA -1.580 54.488 56.048 0.034 0.000 1.160 338 H CB 0.763 30.556 29.762 0.052 0.000 1.865 338 H HN 0.375 nan 8.280 nan 0.000 0.521 339 K N -0.016 120.450 120.400 0.110 0.000 2.258 339 K HA 0.226 4.547 4.320 0.001 0.000 0.264 339 K C 1.430 178.155 176.600 0.209 0.000 1.007 339 K CA 0.466 56.833 56.287 0.133 0.000 0.941 339 K CB 0.723 33.335 32.500 0.186 0.000 0.966 339 K HN 0.829 nan 8.250 nan 0.000 0.480 340 E N 2.346 122.620 120.200 0.122 0.000 2.114 340 E HA -0.299 4.052 4.350 0.001 0.000 0.199 340 E C 1.677 178.388 176.600 0.185 0.000 1.008 340 E CA 2.262 58.732 56.400 0.116 0.000 0.810 340 E CB -0.895 28.849 29.700 0.073 0.000 0.739 340 E HN 0.842 nan 8.360 nan 0.000 0.456 341 E N -1.408 118.916 120.200 0.206 0.000 2.338 341 E HA -0.062 4.288 4.350 0.001 0.000 0.197 341 E C 1.372 178.036 176.600 0.106 0.000 1.007 341 E CA 0.957 57.453 56.400 0.159 0.000 0.849 341 E CB -0.340 29.449 29.700 0.149 0.000 0.774 341 E HN 0.569 nan 8.360 nan 0.000 0.506 342 F N 1.389 121.432 119.950 0.155 0.000 2.765 342 F HA 0.216 4.743 4.527 0.000 0.000 0.302 342 F C 1.158 177.113 175.800 0.259 0.000 1.111 342 F CA -0.318 57.774 58.000 0.153 0.000 1.359 342 F CB 0.095 39.093 39.000 -0.002 0.000 1.097 342 F HN -0.130 nan 8.300 nan 0.000 0.577 343 R N 2.610 123.351 120.500 0.401 0.000 2.502 343 R HA 0.061 4.401 4.340 0.001 0.000 0.292 343 R C -2.423 174.021 176.300 0.240 0.000 0.998 343 R CA -1.384 54.913 56.100 0.328 0.000 1.056 343 R CB 0.061 30.487 30.300 0.210 0.000 0.939 343 R HN -0.076 nan 8.270 nan 0.000 0.411 344 P HA -0.050 nan 4.420 nan 0.000 0.266 344 P C -0.226 177.160 177.300 0.143 0.000 1.195 344 P CA -0.053 63.159 63.100 0.187 0.000 0.768 344 P CB 0.546 32.353 31.700 0.178 0.000 0.838 345 N N 1.672 120.450 118.700 0.130 0.000 2.409 345 N HA -0.019 4.721 4.740 0.001 0.000 0.179 345 N C 0.088 175.647 175.510 0.082 0.000 1.032 345 N CA 0.522 53.623 53.050 0.085 0.000 0.898 345 N CB -0.062 38.454 38.487 0.049 0.000 0.971 345 N HN 0.388 nan 8.380 nan 0.000 0.441 346 A N 0.348 123.236 122.820 0.113 0.000 2.556 346 A HA 0.663 4.984 4.320 0.001 0.000 0.294 346 A C -2.802 174.831 177.584 0.082 0.000 1.091 346 A CA -1.308 50.792 52.037 0.106 0.000 0.704 346 A CB 1.458 20.554 19.000 0.160 0.000 1.300 346 A HN 0.089 nan 8.150 nan 0.000 0.406 347 P HA 0.385 nan 4.420 nan 0.000 0.276 347 P C -0.633 176.614 177.300 -0.088 0.000 1.261 347 P CA 0.265 63.268 63.100 -0.161 0.000 0.800 347 P CB 0.042 31.497 31.700 -0.408 0.000 1.066 348 Y N -2.585 117.683 120.300 -0.054 0.000 4.490 348 Y HA -0.263 4.287 4.550 0.000 0.000 0.233 348 Y C 1.717 177.614 175.900 -0.006 0.000 1.101 348 Y CA 0.549 58.540 58.100 -0.181 0.000 2.010 348 Y CB -1.921 36.372 38.460 -0.279 0.000 1.622 348 Y HN 0.373 nan 8.280 nan 0.000 0.675 349 R N -0.144 120.460 120.500 0.173 0.000 2.102 349 R HA 0.246 4.586 4.340 0.001 0.000 0.208 349 R C 0.247 176.668 176.300 0.203 0.000 1.131 349 R CA 0.346 56.550 56.100 0.174 0.000 1.054 349 R CB 0.564 30.967 30.300 0.172 0.000 0.954 349 R HN 0.011 nan 8.270 nan 0.000 0.465 350 I N 1.882 122.581 120.570 0.215 0.000 2.307 350 I HA 0.301 4.471 4.170 0.001 0.000 0.287 350 I C -0.837 175.452 176.117 0.286 0.000 1.054 350 I CA -0.210 61.225 61.300 0.225 0.000 1.218 350 I CB 0.377 38.505 38.000 0.214 0.000 1.398 350 I HN 0.018 nan 8.210 nan 0.000 0.475 351 F N 6.426 126.420 119.950 0.073 0.000 2.703 351 F HA 0.492 5.020 4.527 0.000 0.000 0.308 351 F C -1.246 174.583 175.800 0.048 0.000 1.126 351 F CA -0.581 57.453 58.000 0.057 0.000 0.959 351 F CB 1.673 40.730 39.000 0.095 0.000 1.297 351 F HN 0.629 nan 8.300 nan 0.000 0.441 352 N N -0.178 118.243 118.700 -0.464 0.000 3.179 352 N HA 0.294 5.034 4.740 0.001 0.000 0.250 352 N C -0.578 174.612 175.510 -0.533 0.000 1.507 352 N CA -0.241 52.652 53.050 -0.262 0.000 0.883 352 N CB 1.011 39.429 38.487 -0.115 0.000 1.435 352 N HN 0.303 nan 8.380 nan 0.000 0.532 353 T N -1.048 113.292 114.554 -0.356 0.000 2.652 353 T HA -0.088 4.262 4.350 0.001 0.000 0.267 353 T C 0.230 174.723 174.700 -0.345 0.000 1.039 353 T CA 1.704 63.541 62.100 -0.438 0.000 1.153 353 T CB -0.258 68.150 68.868 -0.766 0.000 0.863 353 T HN 0.502 nan 8.240 nan 0.000 0.428 354 W N 0.019 121.214 121.300 -0.175 0.000 2.792 354 W HA 0.503 5.163 4.660 0.000 0.000 0.262 354 W C 0.649 177.060 176.519 -0.179 0.000 1.212 354 W CA -0.675 56.578 57.345 -0.153 0.000 1.433 354 W CB -0.859 28.546 29.460 -0.092 0.000 1.004 354 W HN 0.095 nan 8.180 nan 0.000 0.608 355 L N 0.932 122.170 121.223 0.024 0.000 3.742 355 L HA -0.228 4.112 4.340 0.001 0.000 0.431 355 L C 0.861 177.741 176.870 0.017 0.000 1.220 355 L CA 1.120 55.935 54.840 -0.042 0.000 0.863 355 L CB -1.808 40.164 42.059 -0.145 0.000 1.751 355 L HN 0.255 nan 8.230 nan 0.000 0.922 356 G N -1.018 107.818 108.800 0.060 0.000 2.416 356 G HA2 0.065 4.026 3.960 0.001 0.000 0.203 356 G HA3 0.065 4.026 3.960 0.001 0.000 0.203 356 G C -1.167 173.741 174.900 0.013 0.000 1.227 356 G CA 0.012 45.139 45.100 0.045 0.000 1.041 356 G HN 0.422 nan 8.290 nan 0.000 0.546 357 D N -0.548 119.847 120.400 -0.009 0.000 2.804 357 D HA 0.509 5.150 4.640 0.001 0.000 0.209 357 D C -1.874 174.398 176.300 -0.047 0.000 1.314 357 D CA -1.092 52.859 54.000 -0.081 0.000 0.894 357 D CB 1.841 42.559 40.800 -0.136 0.000 1.615 357 D HN 0.036 nan 8.370 nan 0.000 0.571 358 P HA -0.149 nan 4.420 nan 0.000 0.217 358 P C 1.377 178.597 177.300 -0.134 0.000 1.148 358 P CA 1.421 64.500 63.100 -0.036 0.000 0.828 358 P CB 0.238 31.905 31.700 -0.055 0.000 0.783 359 S N -0.691 114.876 115.700 -0.223 0.000 2.382 359 S HA -0.155 4.315 4.470 0.001 0.000 0.228 359 S C 1.831 176.332 174.600 -0.165 0.000 1.027 359 S CA 1.014 58.994 58.200 -0.367 0.000 0.991 359 S CB -0.863 62.113 63.200 -0.374 0.000 0.823 359 S HN 0.035 nan 8.310 nan 0.000 0.469 360 K N 2.017 122.374 120.400 -0.072 0.000 2.097 360 K HA 0.112 4.433 4.320 0.001 0.000 0.205 360 K C 1.736 178.331 176.600 -0.008 0.000 1.050 360 K CA 1.031 57.310 56.287 -0.014 0.000 0.938 360 K CB -0.866 31.639 32.500 0.008 0.000 0.718 360 K HN 0.412 nan 8.250 nan 0.000 0.442 361 N N 1.363 120.055 118.700 -0.014 0.000 2.188 361 N HA -0.127 4.613 4.740 0.001 0.000 0.184 361 N C 1.740 177.227 175.510 -0.039 0.000 1.018 361 N CA 0.507 53.550 53.050 -0.012 0.000 0.858 361 N CB -0.424 38.066 38.487 0.004 0.000 0.989 361 N HN 0.050 nan 8.380 nan 0.000 0.426 362 L N 1.094 122.276 121.223 -0.070 0.000 1.989 362 L HA -0.066 4.275 4.340 0.001 0.000 0.211 362 L C 1.875 178.722 176.870 -0.037 0.000 1.071 362 L CA 1.487 56.280 54.840 -0.079 0.000 0.749 362 L CB -0.735 41.224 42.059 -0.166 0.000 0.890 362 L HN 0.112 nan 8.230 nan 0.000 0.431 363 L N -1.321 119.892 121.223 -0.017 0.000 2.046 363 L HA -0.200 4.140 4.340 0.001 0.000 0.208 363 L C 2.526 179.391 176.870 -0.009 0.000 1.077 363 L CA 1.085 55.934 54.840 0.014 0.000 0.747 363 L CB -0.797 41.288 42.059 0.045 0.000 0.896 363 L HN 0.364 nan 8.230 nan 0.000 0.432 364 L N 0.442 121.660 121.223 -0.009 0.000 2.042 364 L HA -0.160 4.180 4.340 0.001 0.000 0.210 364 L C 2.655 179.509 176.870 -0.027 0.000 1.076 364 L CA 1.977 56.811 54.840 -0.010 0.000 0.749 364 L CB -0.743 41.321 42.059 0.009 0.000 0.893 364 L HN 0.155 nan 8.230 nan 0.000 0.432 365 A N -0.793 122.005 122.820 -0.036 0.000 1.908 365 A HA -0.270 4.050 4.320 0.001 0.000 0.218 365 A C 2.274 179.829 177.584 -0.047 0.000 1.181 365 A CA 1.888 53.897 52.037 -0.047 0.000 0.627 365 A CB -0.706 18.265 19.000 -0.048 0.000 0.818 365 A HN 0.547 nan 8.150 nan 0.000 0.445 366 E N -0.273 119.902 120.200 -0.041 0.000 2.107 366 E HA -0.069 4.282 4.350 0.001 0.000 0.191 366 E C 1.814 178.365 176.600 -0.082 0.000 0.982 366 E CA 1.208 57.579 56.400 -0.050 0.000 0.809 366 E CB -0.361 29.318 29.700 -0.034 0.000 0.756 366 E HN 0.240 nan 8.360 nan 0.000 0.459 367 V N 0.690 120.555 119.914 -0.081 0.000 2.287 367 V HA -0.256 3.865 4.120 0.001 0.000 0.248 367 V C 2.368 178.422 176.094 -0.066 0.000 1.053 367 V CA 1.858 64.097 62.300 -0.102 0.000 1.027 367 V CB -0.414 31.365 31.823 -0.074 0.000 0.646 367 V HN 0.325 nan 8.190 nan 0.000 0.447 368 I N 0.275 120.822 120.570 -0.038 0.000 2.252 368 I HA -0.251 3.919 4.170 0.001 0.000 0.245 368 I C 2.507 178.596 176.117 -0.047 0.000 1.102 368 I CA 1.697 62.982 61.300 -0.025 0.000 1.385 368 I CB -0.506 37.452 38.000 -0.071 0.000 1.064 368 I HN 0.454 nan 8.210 nan 0.000 0.414 369 N N 1.417 120.083 118.700 -0.056 0.000 2.104 369 N HA -0.210 4.531 4.740 0.001 0.000 0.190 369 N C 1.964 177.448 175.510 -0.043 0.000 1.024 369 N CA 1.340 54.360 53.050 -0.050 0.000 0.853 369 N CB 0.169 38.629 38.487 -0.044 0.000 1.008 369 N HN 0.189 nan 8.380 nan 0.000 0.424 370 I N 1.711 122.245 120.570 -0.060 0.000 2.202 370 I HA -0.210 3.960 4.170 0.001 0.000 0.242 370 I C 2.416 178.514 176.117 -0.032 0.000 1.091 370 I CA 0.766 62.032 61.300 -0.058 0.000 1.368 370 I CB -1.031 36.878 38.000 -0.152 0.000 1.058 370 I HN 0.182 nan 8.210 nan 0.000 0.410 371 I N 0.821 121.371 120.570 -0.035 0.000 2.194 371 I HA -0.362 3.809 4.170 0.001 0.000 0.246 371 I C 2.514 178.628 176.117 -0.004 0.000 1.093 371 I CA 1.669 62.962 61.300 -0.012 0.000 1.355 371 I CB -0.326 37.687 38.000 0.021 0.000 1.046 371 I HN 0.247 nan 8.210 nan 0.000 0.413 372 K N 0.249 120.641 120.400 -0.014 0.000 2.076 372 K HA -0.083 4.237 4.320 0.001 0.000 0.204 372 K C 2.635 179.226 176.600 -0.014 0.000 1.051 372 K CA 1.339 57.613 56.287 -0.021 0.000 0.949 372 K CB -0.259 32.216 32.500 -0.043 0.000 0.726 372 K HN 0.270 nan 8.250 nan 0.000 0.443 373 R N 1.674 122.168 120.500 -0.011 0.000 2.115 373 R HA -0.051 4.289 4.340 0.001 0.000 0.230 373 R C 1.643 177.948 176.300 0.010 0.000 1.111 373 R CA 1.370 57.469 56.100 -0.002 0.000 0.976 373 R CB -0.672 29.629 30.300 0.001 0.000 0.870 373 R HN 0.109 nan 8.270 nan 0.000 0.445 374 E N 0.164 120.374 120.200 0.016 0.000 2.463 374 E HA 0.045 4.396 4.350 0.001 0.000 0.193 374 E C -0.446 176.168 176.600 0.024 0.000 1.041 374 E CA 0.311 56.729 56.400 0.030 0.000 0.879 374 E CB -0.018 29.713 29.700 0.050 0.000 0.997 374 E HN 0.605 nan 8.360 nan 0.000 0.478 375 D N 0.218 120.625 120.400 0.012 0.000 2.689 375 D HA -0.204 4.436 4.640 0.001 0.000 0.237 375 D C 0.493 176.802 176.300 0.016 0.000 1.148 375 D CA 0.237 54.242 54.000 0.009 0.000 0.656 375 D CB -1.211 39.594 40.800 0.009 0.000 1.050 375 D HN 0.225 nan 8.370 nan 0.000 0.426 376 L N -0.376 120.853 121.223 0.010 0.000 2.376 376 L HA -0.042 4.298 4.340 0.001 0.000 0.219 376 L C 2.426 179.293 176.870 -0.004 0.000 1.133 376 L CA 0.321 55.167 54.840 0.009 0.000 0.816 376 L CB -0.286 41.769 42.059 -0.006 0.000 0.933 376 L HN 0.351 nan 8.230 nan 0.000 0.449 377 L N -0.981 120.233 121.223 -0.016 0.000 2.005 377 L HA -0.159 4.181 4.340 0.001 0.000 0.207 377 L C 2.710 179.585 176.870 0.008 0.000 1.072 377 L CA 1.147 55.970 54.840 -0.028 0.000 0.744 377 L CB -0.605 41.433 42.059 -0.036 0.000 0.895 377 L HN 0.152 nan 8.230 nan 0.000 0.433 378 S N 0.031 115.743 115.700 0.020 0.000 2.382 378 S HA -0.207 4.263 4.470 0.001 0.000 0.228 378 S C 1.724 176.373 174.600 0.081 0.000 1.027 378 S CA 1.801 60.027 58.200 0.043 0.000 0.991 378 S CB -0.459 62.758 63.200 0.027 0.000 0.823 378 S HN 0.439 nan 8.310 nan 0.000 0.469 379 N N 1.714 120.459 118.700 0.076 0.000 2.120 379 N HA -0.063 4.677 4.740 0.001 0.000 0.188 379 N C 1.619 177.204 175.510 0.124 0.000 1.024 379 N CA 1.363 54.483 53.050 0.117 0.000 0.852 379 N CB -0.400 38.142 38.487 0.092 0.000 1.003 379 N HN 0.326 nan 8.380 nan 0.000 0.424 380 A N 0.203 123.073 122.820 0.084 0.000 1.933 380 A HA 0.041 4.362 4.320 0.001 0.000 0.218 380 A C 2.335 179.970 177.584 0.085 0.000 1.175 380 A CA 1.787 53.873 52.037 0.082 0.000 0.628 380 A CB -1.207 17.812 19.000 0.031 0.000 0.814 380 A HN 0.462 nan 8.150 nan 0.000 0.444 381 A N -0.849 122.026 122.820 0.091 0.000 1.902 381 A HA -0.137 4.183 4.320 0.001 0.000 0.217 381 A C 2.059 179.707 177.584 0.107 0.000 1.181 381 A CA 2.124 54.220 52.037 0.097 0.000 0.623 381 A CB -0.795 18.267 19.000 0.104 0.000 0.818 381 A HN 0.785 nan 8.150 nan 0.000 0.443 382 H N -0.141 118.955 119.070 0.043 0.000 2.307 382 H HA 0.172 4.729 4.556 0.001 0.000 0.303 382 H C 2.150 177.496 175.328 0.030 0.000 1.073 382 H CA 1.910 57.978 56.048 0.034 0.000 1.338 382 H CB -0.490 29.288 29.762 0.027 0.000 1.389 382 H HN 0.324 nan 8.280 nan 0.000 0.503 383 A N 0.264 122.950 122.820 -0.223 0.000 1.908 383 A HA -0.090 4.230 4.320 0.001 0.000 0.218 383 A C 2.689 180.238 177.584 -0.059 0.000 1.181 383 A CA 1.672 53.572 52.037 -0.229 0.000 0.627 383 A CB -1.512 17.472 19.000 -0.026 0.000 0.818 383 A HN 0.639 nan 8.150 nan 0.000 0.445 384 G N -0.743 108.069 108.800 0.020 0.000 2.422 384 G HA2 -0.238 3.722 3.960 0.001 0.000 0.218 384 G HA3 -0.238 3.722 3.960 0.001 0.000 0.218 384 G C 1.664 176.540 174.900 -0.040 0.000 1.146 384 G CA 1.179 46.285 45.100 0.009 0.000 0.769 384 G HN 0.563 nan 8.290 nan 0.000 0.547 385 K N -0.201 120.167 120.400 -0.053 0.000 2.026 385 K HA -0.016 4.304 4.320 0.001 0.000 0.208 385 K C 2.647 179.198 176.600 -0.080 0.000 1.048 385 K CA 1.078 57.341 56.287 -0.040 0.000 0.929 385 K CB -0.235 32.268 32.500 0.005 0.000 0.713 385 K HN 0.177 nan 8.250 nan 0.000 0.439 386 V N 1.622 121.430 119.914 -0.176 0.000 2.332 386 V HA -0.258 3.862 4.120 0.001 0.000 0.248 386 V C 2.212 178.206 176.094 -0.165 0.000 1.055 386 V CA 1.543 63.725 62.300 -0.196 0.000 1.038 386 V CB -0.426 31.189 31.823 -0.347 0.000 0.651 386 V HN 0.341 nan 8.190 nan 0.000 0.450 387 L N -0.337 120.804 121.223 -0.137 0.000 2.017 387 L HA -0.131 4.209 4.340 0.001 0.000 0.208 387 L C 2.190 178.981 176.870 -0.132 0.000 1.073 387 L CA 1.943 56.706 54.840 -0.129 0.000 0.745 387 L CB -0.673 41.294 42.059 -0.153 0.000 0.894 387 L HN 0.267 nan 8.230 nan 0.000 0.432 388 L N -0.989 120.172 121.223 -0.104 0.000 2.056 388 L HA -0.163 4.178 4.340 0.001 0.000 0.207 388 L C 2.347 179.204 176.870 -0.023 0.000 1.078 388 L CA 2.296 57.099 54.840 -0.063 0.000 0.749 388 L CB -0.911 41.129 42.059 -0.032 0.000 0.901 388 L HN 0.336 nan 8.230 nan 0.000 0.433 389 T N -0.685 113.860 114.554 -0.015 0.000 2.684 389 T HA -0.147 4.204 4.350 0.001 0.000 0.267 389 T C 1.677 176.393 174.700 0.026 0.000 1.036 389 T CA 1.371 63.479 62.100 0.014 0.000 1.148 389 T CB -0.881 67.999 68.868 0.021 0.000 0.863 389 T HN 0.598 nan 8.240 nan 0.000 0.436 390 G N 1.180 109.992 108.800 0.020 0.000 2.418 390 G HA2 -0.133 3.827 3.960 0.001 0.000 0.217 390 G HA3 -0.133 3.827 3.960 0.001 0.000 0.217 390 G C 1.513 176.446 174.900 0.054 0.000 1.158 390 G CA 0.485 45.617 45.100 0.053 0.000 0.771 390 G HN 0.444 nan 8.290 nan 0.000 0.545 391 L N -0.162 121.076 121.223 0.026 0.000 2.083 391 L HA -0.008 4.332 4.340 0.001 0.000 0.209 391 L C 2.890 179.766 176.870 0.010 0.000 1.083 391 L CA 0.488 55.333 54.840 0.009 0.000 0.752 391 L CB -0.349 41.703 42.059 -0.011 0.000 0.899 391 L HN 0.189 nan 8.230 nan 0.000 0.433 392 L N -0.361 120.876 121.223 0.023 0.000 2.083 392 L HA -0.246 4.095 4.340 0.001 0.000 0.209 392 L C 2.220 179.115 176.870 0.043 0.000 1.083 392 L CA 1.425 56.286 54.840 0.035 0.000 0.752 392 L CB -0.470 41.613 42.059 0.040 0.000 0.899 392 L HN 0.302 nan 8.230 nan 0.000 0.433 393 D N 0.118 120.548 120.400 0.049 0.000 2.117 393 D HA -0.174 4.466 4.640 0.001 0.000 0.198 393 D C 2.277 178.621 176.300 0.074 0.000 0.982 393 D CA 1.135 55.168 54.000 0.055 0.000 0.828 393 D CB 0.031 40.868 40.800 0.063 0.000 0.967 393 D HN 0.183 nan 8.370 nan 0.000 0.464 394 L N 0.039 121.322 121.223 0.101 0.000 2.131 394 L HA -0.139 4.201 4.340 0.001 0.000 0.210 394 L C 2.673 179.646 176.870 0.172 0.000 1.092 394 L CA 1.035 55.984 54.840 0.181 0.000 0.759 394 L CB -0.532 41.622 42.059 0.159 0.000 0.903 394 L HN 0.231 nan 8.230 nan 0.000 0.435 395 Q N 0.195 120.040 119.800 0.076 0.000 2.084 395 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 395 Q C 2.301 178.337 176.000 0.060 0.000 0.978 395 Q CA 1.871 57.713 55.803 0.065 0.000 0.844 395 Q CB -0.073 28.690 28.738 0.042 0.000 0.898 395 Q HN 0.512 nan 8.270 nan 0.000 0.426 396 A N 0.476 123.319 122.820 0.038 0.000 1.933 396 A HA -0.184 4.136 4.320 0.001 0.000 0.218 396 A C 2.269 179.820 177.584 -0.054 0.000 1.175 396 A CA 1.916 53.955 52.037 0.004 0.000 0.628 396 A CB -0.919 18.084 19.000 0.006 0.000 0.814 396 A HN 0.512 nan 8.150 nan 0.000 0.444 397 R N -1.820 118.630 120.500 -0.083 0.000 2.161 397 R HA 0.150 4.490 4.340 0.001 0.000 0.213 397 R C 0.524 176.471 176.300 -0.588 0.000 1.055 397 R CA 1.213 57.112 56.100 -0.335 0.000 0.996 397 R CB -0.757 29.331 30.300 -0.354 0.000 0.901 397 R HN 0.676 nan 8.270 nan 0.000 0.456 398 Y N -0.110 120.199 120.300 0.016 0.000 2.477 398 Y HA 0.278 4.828 4.550 0.001 0.000 0.340 398 Y C -1.739 174.145 175.900 -0.027 0.000 0.987 398 Y CA -2.195 55.912 58.100 0.011 0.000 1.127 398 Y CB 2.018 40.571 38.460 0.156 0.000 1.139 398 Y HN 0.125 nan 8.280 nan 0.000 0.637 399 P HA -0.223 nan 4.420 nan 0.000 0.222 399 P C 1.207 178.490 177.300 -0.028 0.000 1.147 399 P CA 1.336 64.445 63.100 0.015 0.000 0.790 399 P CB 0.417 32.111 31.700 -0.010 0.000 0.780 400 Q N -0.508 119.191 119.800 -0.169 0.000 2.369 400 Q HA -0.073 4.267 4.340 0.001 0.000 0.206 400 Q C 1.300 177.104 176.000 -0.328 0.000 0.963 400 Q CA 1.312 56.918 55.803 -0.327 0.000 0.894 400 Q CB -0.852 27.547 28.738 -0.564 0.000 0.965 400 Q HN 0.332 nan 8.270 nan 0.000 0.475 401 F N -0.049 120.004 119.950 0.173 0.000 2.711 401 F HA 0.357 4.885 4.527 0.001 0.000 0.296 401 F C 0.693 176.587 175.800 0.157 0.000 1.096 401 F CA -0.705 57.389 58.000 0.156 0.000 1.280 401 F CB 0.908 39.971 39.000 0.104 0.000 1.060 401 F HN -0.116 nan 8.300 nan 0.000 0.608 402 I N 1.148 121.888 120.570 0.283 0.000 2.465 402 I HA 0.413 4.584 4.170 0.001 0.000 0.291 402 I C -0.121 176.094 176.117 0.162 0.000 1.014 402 I CA -0.680 60.741 61.300 0.201 0.000 1.093 402 I CB 1.293 39.314 38.000 0.035 0.000 1.267 402 I HN 0.012 nan 8.210 nan 0.000 0.431 403 S N 4.864 120.679 115.700 0.192 0.000 2.596 403 S HA 0.668 5.139 4.470 0.001 0.000 0.270 403 S C -0.278 174.379 174.600 0.096 0.000 1.155 403 S CA -0.936 57.343 58.200 0.131 0.000 0.827 403 S CB 2.308 65.580 63.200 0.121 0.000 1.130 403 S HN 0.653 nan 8.310 nan 0.000 0.467 404 R N -0.286 120.224 120.500 0.016 0.000 3.525 404 R HA -0.111 4.229 4.340 0.001 0.000 0.276 404 R C -0.491 175.610 176.300 -0.331 0.000 1.116 404 R CA 0.570 56.529 56.100 -0.235 0.000 0.745 404 R CB -2.507 27.670 30.300 -0.204 0.000 1.185 404 R HN 0.574 nan 8.270 nan 0.000 0.454 405 V N 1.946 121.796 119.914 -0.105 0.000 2.557 405 V HA -0.011 4.110 4.120 0.001 0.000 0.301 405 V C 1.101 177.092 176.094 -0.172 0.000 1.026 405 V CA 0.988 63.271 62.300 -0.030 0.000 1.137 405 V CB 0.257 32.098 31.823 0.030 0.000 0.917 405 V HN 0.379 nan 8.190 nan 0.000 0.484 406 R N 3.685 124.106 120.500 -0.132 0.000 2.692 406 R HA 0.842 5.182 4.340 0.001 0.000 0.269 406 R C -0.458 175.787 176.300 -0.092 0.000 1.030 406 R CA -0.519 55.462 56.100 -0.198 0.000 0.882 406 R CB 2.165 32.197 30.300 -0.447 0.000 1.250 406 R HN 0.937 nan 8.270 nan 0.000 0.465 407 G N 0.693 109.416 108.800 -0.130 0.000 2.338 407 G HA2 0.402 4.362 3.960 0.001 0.000 0.295 407 G HA3 0.402 4.362 3.960 0.001 0.000 0.295 407 G C -1.980 173.008 174.900 0.145 0.000 1.461 407 G CA -1.034 44.128 45.100 0.105 0.000 0.817 407 G HN 0.613 nan 8.290 nan 0.000 0.556 408 R N -0.006 120.645 120.500 0.251 0.000 2.515 408 R HA 0.578 4.918 4.340 0.001 0.000 0.291 408 R C 0.825 177.196 176.300 0.118 0.000 1.046 408 R CA 0.838 57.011 56.100 0.122 0.000 0.914 408 R CB 1.351 31.690 30.300 0.065 0.000 1.191 408 R HN 2.407 nan 8.270 nan 0.000 0.435 409 G N 1.544 110.388 108.800 0.073 0.000 2.582 409 G HA2 -0.423 3.537 3.960 0.001 0.000 0.288 409 G HA3 -0.423 3.537 3.960 0.001 0.000 0.288 409 G C 0.663 175.602 174.900 0.064 0.000 1.247 409 G CA 0.554 45.700 45.100 0.077 0.000 0.972 409 G HN 0.770 nan 8.290 nan 0.000 0.557 410 T N -2.284 112.298 114.554 0.046 0.000 3.129 410 T HA 0.360 4.710 4.350 0.001 0.000 0.251 410 T C 1.071 175.754 174.700 -0.030 0.000 1.117 410 T CA 1.009 63.075 62.100 -0.056 0.000 1.034 410 T CB -0.040 68.731 68.868 -0.163 0.000 0.968 410 T HN 0.672 nan 8.240 nan 0.000 0.526 411 F N 2.697 122.617 119.950 -0.049 0.000 2.661 411 F HA 0.409 4.936 4.527 0.000 0.000 0.356 411 F C -0.092 175.752 175.800 0.073 0.000 1.244 411 F CA -0.985 57.013 58.000 -0.004 0.000 1.290 411 F CB -0.698 38.304 39.000 0.002 0.000 1.677 411 F HN 0.246 nan 8.300 nan 0.000 0.649 412 C N 1.198 120.568 119.300 0.117 0.000 2.630 412 C HA 0.901 5.361 4.460 0.001 0.000 0.346 412 C C -0.151 174.974 174.990 0.225 0.000 1.245 412 C CA -0.444 58.662 59.018 0.147 0.000 1.804 412 C CB 1.505 29.214 27.740 -0.051 0.000 2.279 412 C HN 0.749 nan 8.230 nan 0.000 0.498 413 S N 0.141 115.975 115.700 0.222 0.000 2.627 413 S HA 0.843 5.313 4.470 0.001 0.000 0.268 413 S C -1.239 173.476 174.600 0.193 0.000 1.130 413 S CA -0.736 57.548 58.200 0.139 0.000 0.819 413 S CB 1.020 64.226 63.200 0.010 0.000 1.100 413 S HN 1.426 nan 8.310 nan 0.000 0.465 414 F N -1.041 118.929 119.950 0.033 0.000 2.713 414 F HA 0.859 5.386 4.527 0.001 0.000 0.311 414 F C -1.646 174.153 175.800 -0.001 0.000 1.141 414 F CA -0.933 57.068 58.000 0.001 0.000 0.939 414 F CB 0.398 39.432 39.000 0.056 0.000 1.325 414 F HN 0.472 nan 8.300 nan 0.000 0.453 415 D N 0.748 121.281 120.400 0.221 0.000 2.229 415 D HA 0.555 5.195 4.640 0.001 0.000 0.249 415 D C -0.198 176.275 176.300 0.287 0.000 1.027 415 D CA -0.047 54.033 54.000 0.134 0.000 0.923 415 D CB 2.014 42.869 40.800 0.090 0.000 1.174 415 D HN 0.846 nan 8.370 nan 0.000 0.443 416 T N -2.576 112.090 114.554 0.185 0.000 2.940 416 T HA 0.507 4.857 4.350 0.001 0.000 0.288 416 T C -2.151 172.649 174.700 0.167 0.000 1.045 416 T CA -1.919 60.318 62.100 0.228 0.000 1.018 416 T CB 1.928 70.910 68.868 0.190 0.000 1.151 416 T HN -0.083 nan 8.240 nan 0.000 0.529 417 P HA 0.091 nan 4.420 nan 0.000 0.218 417 P C -0.239 177.130 177.300 0.115 0.000 1.149 417 P CA 1.257 64.449 63.100 0.154 0.000 0.817 417 P CB -0.072 31.742 31.700 0.191 0.000 0.785 418 D N -4.131 116.336 120.400 0.112 0.000 2.639 418 D HA 0.069 4.709 4.640 0.001 0.000 0.271 418 D C 0.602 176.936 176.300 0.058 0.000 1.254 418 D CA -0.841 53.205 54.000 0.077 0.000 0.810 418 D CB 0.124 40.970 40.800 0.078 0.000 1.351 418 D HN -0.182 nan 8.370 nan 0.000 0.427 419 E N -0.089 120.131 120.200 0.034 0.000 2.085 419 E HA -0.272 4.078 4.350 0.001 0.000 0.194 419 E C 1.563 178.173 176.600 0.017 0.000 0.994 419 E CA 1.874 58.281 56.400 0.011 0.000 0.801 419 E CB 0.001 29.702 29.700 0.003 0.000 0.743 419 E HN 0.394 nan 8.360 nan 0.000 0.453 420 S N 0.088 115.811 115.700 0.039 0.000 2.359 420 S HA -0.152 4.318 4.470 0.001 0.000 0.224 420 S C 2.027 176.673 174.600 0.077 0.000 1.035 420 S CA 1.303 59.533 58.200 0.050 0.000 1.018 420 S CB -0.324 62.911 63.200 0.058 0.000 0.876 420 S HN 0.345 nan 8.310 nan 0.000 0.448 421 I N 1.461 122.098 120.570 0.112 0.000 2.252 421 I HA -0.105 4.065 4.170 0.001 0.000 0.245 421 I C 2.981 179.107 176.117 0.016 0.000 1.102 421 I CA 1.097 62.487 61.300 0.150 0.000 1.385 421 I CB -1.002 37.127 38.000 0.215 0.000 1.064 421 I HN 0.386 nan 8.210 nan 0.000 0.414 422 R N 1.794 122.300 120.500 0.009 0.000 2.094 422 R HA -0.213 4.127 4.340 0.001 0.000 0.239 422 R C 1.851 178.105 176.300 -0.075 0.000 1.137 422 R CA 2.007 58.080 56.100 -0.045 0.000 0.943 422 R CB -0.583 29.681 30.300 -0.060 0.000 0.850 422 R HN 0.402 nan 8.270 nan 0.000 0.433 423 N N 0.447 119.114 118.700 -0.055 0.000 2.188 423 N HA -0.138 4.603 4.740 0.001 0.000 0.184 423 N C 1.775 177.254 175.510 -0.051 0.000 1.018 423 N CA 1.129 54.138 53.050 -0.068 0.000 0.858 423 N CB -0.361 38.097 38.487 -0.049 0.000 0.989 423 N HN 0.092 nan 8.380 nan 0.000 0.426 424 K N 1.007 121.400 120.400 -0.011 0.000 2.057 424 K HA 0.103 4.423 4.320 0.001 0.000 0.206 424 K C 2.271 178.843 176.600 -0.047 0.000 1.050 424 K CA 0.436 56.737 56.287 0.024 0.000 0.935 424 K CB -0.648 31.950 32.500 0.163 0.000 0.715 424 K HN 0.226 nan 8.250 nan 0.000 0.439 425 L N -0.050 121.082 121.223 -0.151 0.000 2.093 425 L HA -0.044 4.296 4.340 0.001 0.000 0.208 425 L C 2.518 179.380 176.870 -0.014 0.000 1.085 425 L CA 1.493 56.227 54.840 -0.177 0.000 0.755 425 L CB -0.407 41.558 42.059 -0.157 0.000 0.904 425 L HN 0.242 nan 8.230 nan 0.000 0.435 426 I N -0.969 119.569 120.570 -0.054 0.000 2.226 426 I HA -0.319 3.852 4.170 0.001 0.000 0.245 426 I C 2.846 178.924 176.117 -0.065 0.000 1.100 426 I CA 1.416 62.665 61.300 -0.084 0.000 1.374 426 I CB -0.231 37.664 38.000 -0.175 0.000 1.057 426 I HN 0.240 nan 8.210 nan 0.000 0.413 427 S N 1.031 116.693 115.700 -0.064 0.000 2.356 427 S HA -0.146 4.324 4.470 0.001 0.000 0.223 427 S C 2.070 176.655 174.600 -0.024 0.000 1.032 427 S CA 1.127 59.298 58.200 -0.048 0.000 1.005 427 S CB -0.097 63.080 63.200 -0.038 0.000 0.867 427 S HN 0.224 nan 8.310 nan 0.000 0.449 428 I N 2.275 122.836 120.570 -0.015 0.000 2.179 428 I HA -0.097 4.074 4.170 0.001 0.000 0.242 428 I C 2.946 179.070 176.117 0.011 0.000 1.088 428 I CA 1.414 62.709 61.300 -0.009 0.000 1.357 428 I CB -2.050 35.933 38.000 -0.028 0.000 1.051 428 I HN 0.385 nan 8.210 nan 0.000 0.409 429 A N 0.767 123.618 122.820 0.051 0.000 1.917 429 A HA -0.260 4.060 4.320 0.001 0.000 0.219 429 A C 2.568 180.197 177.584 0.075 0.000 1.182 429 A CA 1.910 54.019 52.037 0.120 0.000 0.633 429 A CB -0.748 18.384 19.000 0.221 0.000 0.819 429 A HN 0.349 nan 8.150 nan 0.000 0.448 430 R N -0.413 120.105 120.500 0.029 0.000 2.073 430 R HA -0.158 4.182 4.340 0.001 0.000 0.234 430 R C 1.612 177.895 176.300 -0.028 0.000 1.134 430 R CA 1.719 57.820 56.100 0.001 0.000 0.952 430 R CB -0.350 29.938 30.300 -0.020 0.000 0.850 430 R HN 0.528 nan 8.270 nan 0.000 0.433 431 N N 0.675 119.358 118.700 -0.028 0.000 2.364 431 N HA -0.114 4.626 4.740 0.001 0.000 0.183 431 N C 0.989 176.488 175.510 -0.019 0.000 1.022 431 N CA 0.953 53.981 53.050 -0.037 0.000 0.883 431 N CB 0.036 38.505 38.487 -0.030 0.000 0.965 431 N HN 0.148 nan 8.380 nan 0.000 0.438 432 K N -0.370 120.034 120.400 0.007 0.000 2.404 432 K HA 0.176 4.496 4.320 0.001 0.000 0.194 432 K C 0.744 177.374 176.600 0.051 0.000 1.023 432 K CA 0.211 56.513 56.287 0.024 0.000 1.094 432 K CB 0.520 33.039 32.500 0.032 0.000 0.841 432 K HN 0.251 nan 8.250 nan 0.000 0.523 433 G N 0.650 109.480 108.800 0.049 0.000 2.148 433 G HA2 -0.187 3.773 3.960 0.001 0.000 0.203 433 G HA3 -0.187 3.773 3.960 0.001 0.000 0.203 433 G C -0.245 174.734 174.900 0.133 0.000 0.993 433 G CA -0.177 44.971 45.100 0.080 0.000 0.661 433 G HN 0.060 nan 8.290 nan 0.000 0.518 434 V N 1.780 121.775 119.914 0.134 0.000 2.482 434 V HA 0.537 4.657 4.120 0.001 0.000 0.295 434 V C 0.473 176.636 176.094 0.114 0.000 1.026 434 V CA -0.805 61.599 62.300 0.174 0.000 0.856 434 V CB 1.730 33.737 31.823 0.308 0.000 1.001 434 V HN 0.317 nan 8.190 nan 0.000 0.424 435 M N 5.931 125.589 119.600 0.096 0.000 2.220 435 M HA 0.433 4.913 4.480 0.001 0.000 0.343 435 M C -0.800 175.478 176.300 -0.037 0.000 1.470 435 M CA 0.305 55.650 55.300 0.074 0.000 1.161 435 M CB 0.372 33.072 32.600 0.166 0.000 1.737 435 M HN 0.508 nan 8.290 nan 0.000 0.464 436 L N 2.098 123.228 121.223 -0.155 0.000 2.319 436 L HA 0.829 5.169 4.340 0.001 0.000 0.267 436 L C 0.583 177.139 176.870 -0.524 0.000 1.011 436 L CA -0.894 53.728 54.840 -0.364 0.000 0.818 436 L CB 2.093 43.906 42.059 -0.410 0.000 1.316 436 L HN 0.653 nan 8.230 nan 0.000 0.432 437 G N -0.536 107.877 108.800 -0.646 0.000 2.454 437 G HA2 0.653 4.613 3.960 0.001 0.000 0.329 437 G HA3 0.653 4.613 3.960 0.001 0.000 0.329 437 G C -0.790 173.768 174.900 -0.568 0.000 1.177 437 G CA -0.497 44.071 45.100 -0.887 0.000 0.951 437 G HN 0.730 nan 8.290 nan 0.000 0.485 438 G N -1.608 106.913 108.800 -0.465 0.000 2.454 438 G HA2 0.661 4.621 3.960 0.001 0.000 0.329 438 G HA3 0.661 4.621 3.960 0.001 0.000 0.329 438 G C -0.401 174.367 174.900 -0.220 0.000 1.177 438 G CA -0.146 44.760 45.100 -0.323 0.000 0.951 438 G HN 1.556 nan 8.290 nan 0.000 0.485 439 C N -1.277 117.912 119.300 -0.184 0.000 3.288 439 C HA 0.984 5.444 4.460 0.001 0.000 0.318 439 C C 0.973 175.906 174.990 -0.096 0.000 1.356 439 C CA 0.074 59.019 59.018 -0.122 0.000 1.359 439 C CB 1.099 28.772 27.740 -0.112 0.000 1.688 439 C HN 2.577 nan 8.230 nan 0.000 0.467 440 G N 1.920 110.683 108.800 -0.063 0.000 2.641 440 G HA2 -0.188 3.772 3.960 0.001 0.000 0.254 440 G HA3 -0.188 3.772 3.960 0.001 0.000 0.254 440 G C -0.153 174.717 174.900 -0.050 0.000 1.315 440 G CA 1.010 46.085 45.100 -0.042 0.000 0.907 440 G HN 1.030 nan 8.290 nan 0.000 0.572 441 D N 0.568 120.949 120.400 -0.032 0.000 2.162 441 D HA 0.119 4.759 4.640 0.001 0.000 0.203 441 D C 1.843 178.123 176.300 -0.032 0.000 0.967 441 D CA 1.686 55.670 54.000 -0.028 0.000 0.840 441 D CB 0.004 40.799 40.800 -0.007 0.000 0.972 441 D HN 0.731 nan 8.370 nan 0.000 0.482 442 K N -0.728 119.652 120.400 -0.034 0.000 2.665 442 K HA 0.333 4.654 4.320 0.001 0.000 0.194 442 K C -0.576 175.981 176.600 -0.070 0.000 1.135 442 K CA -0.337 55.930 56.287 -0.033 0.000 1.089 442 K CB 0.820 33.327 32.500 0.012 0.000 0.817 442 K HN -0.170 nan 8.250 nan 0.000 0.506 443 S N 1.474 117.102 115.700 -0.120 0.000 2.565 443 S HA 0.518 4.988 4.470 0.001 0.000 0.290 443 S C -0.125 174.262 174.600 -0.355 0.000 1.150 443 S CA -0.666 57.408 58.200 -0.211 0.000 1.058 443 S CB 1.215 64.323 63.200 -0.154 0.000 1.032 443 S HN 0.225 nan 8.310 nan 0.000 0.510 444 I N 3.266 123.453 120.570 -0.638 0.000 2.377 444 I HA 0.480 4.650 4.170 0.001 0.000 0.293 444 I C 0.362 176.011 176.117 -0.780 0.000 0.987 444 I CA -0.622 60.199 61.300 -0.798 0.000 1.185 444 I CB 1.140 38.473 38.000 -1.112 0.000 1.341 444 I HN 0.575 nan 8.210 nan 0.000 0.455 445 R N 5.063 125.168 120.500 -0.658 0.000 2.854 445 R HA 0.641 4.981 4.340 0.001 0.000 0.271 445 R C -1.999 173.864 176.300 -0.727 0.000 0.996 445 R CA -0.597 55.202 56.100 -0.501 0.000 0.961 445 R CB 1.740 31.848 30.300 -0.320 0.000 1.182 445 R HN 0.266 nan 8.270 nan 0.000 0.479 446 F N 0.766 120.494 119.950 -0.370 0.000 2.467 446 F HA 0.514 5.041 4.527 0.000 0.000 0.336 446 F C 0.302 175.828 175.800 -0.456 0.000 1.123 446 F CA -0.918 56.833 58.000 -0.416 0.000 0.964 446 F CB 1.931 40.652 39.000 -0.465 0.000 1.136 446 F HN 0.292 nan 8.300 nan 0.000 0.447 447 R N 2.828 123.170 120.500 -0.263 0.000 2.681 447 R HA 0.305 4.645 4.340 0.001 0.000 0.277 447 R C -3.039 173.077 176.300 -0.307 0.000 1.563 447 R CA -1.918 53.982 56.100 -0.333 0.000 1.673 447 R CB 0.611 30.692 30.300 -0.367 0.000 1.258 447 R HN 0.274 nan 8.270 nan 0.000 0.650 448 P HA 0.057 nan 4.420 nan 0.000 0.274 448 P C 0.508 177.651 177.300 -0.263 0.000 1.231 448 P CA -0.032 62.811 63.100 -0.429 0.000 0.790 448 P CB 0.634 31.725 31.700 -1.015 0.000 0.951 449 T N -0.698 113.743 114.554 -0.188 0.000 2.748 449 T HA 0.126 4.477 4.350 0.001 0.000 0.304 449 T C 1.298 175.955 174.700 -0.071 0.000 1.041 449 T CA -0.371 61.638 62.100 -0.152 0.000 1.033 449 T CB -0.163 68.598 68.868 -0.178 0.000 0.995 449 T HN 0.198 nan 8.240 nan 0.000 0.536 450 L N 1.170 122.351 121.223 -0.070 0.000 2.622 450 L HA 0.076 4.416 4.340 0.001 0.000 0.233 450 L C 2.110 179.000 176.870 0.033 0.000 1.156 450 L CA 0.140 54.965 54.840 -0.026 0.000 0.866 450 L CB -0.445 41.572 42.059 -0.070 0.000 0.980 450 L HN 0.748 nan 8.230 nan 0.000 0.448 451 V N -4.747 115.190 119.914 0.039 0.000 3.596 451 V HA 0.092 4.212 4.120 0.001 0.000 0.289 451 V C 0.625 176.758 176.094 0.065 0.000 1.336 451 V CA -0.492 61.850 62.300 0.071 0.000 1.137 451 V CB -0.984 30.890 31.823 0.085 0.000 0.966 451 V HN 0.135 nan 8.190 nan 0.000 0.428 452 F N 3.855 123.738 119.950 -0.112 0.000 2.533 452 F HA 0.504 5.032 4.527 0.000 0.000 0.378 452 F C 0.758 176.575 175.800 0.028 0.000 1.070 452 F CA -0.407 57.518 58.000 -0.125 0.000 1.172 452 F CB 0.224 39.136 39.000 -0.146 0.000 1.085 452 F HN 0.090 nan 8.300 nan 0.000 0.552 453 R N 4.114 124.461 120.500 -0.256 0.000 2.810 453 R HA 0.185 4.525 4.340 0.001 0.000 0.245 453 R C 1.008 176.863 176.300 -0.742 0.000 1.168 453 R CA -0.164 55.699 56.100 -0.395 0.000 1.096 453 R CB 0.264 30.349 30.300 -0.359 0.000 1.259 453 R HN 0.687 nan 8.270 nan 0.000 0.518 454 D N -0.011 120.140 120.400 -0.416 0.000 2.178 454 D HA -0.204 4.437 4.640 0.001 0.000 0.201 454 D C 1.455 177.570 176.300 -0.309 0.000 0.980 454 D CA 1.616 55.389 54.000 -0.380 0.000 0.842 454 D CB -0.509 40.180 40.800 -0.184 0.000 0.948 454 D HN 0.702 nan 8.370 nan 0.000 0.472 455 H N -0.407 118.544 119.070 -0.199 0.000 2.462 455 H HA -0.023 4.533 4.556 0.000 0.000 0.292 455 H C 1.225 176.436 175.328 -0.194 0.000 1.049 455 H CA 1.339 57.314 56.048 -0.122 0.000 1.334 455 H CB -0.921 28.753 29.762 -0.147 0.000 1.404 455 H HN 0.337 nan 8.280 nan 0.000 0.544 456 H N 1.219 119.965 119.070 -0.540 0.000 2.423 456 H HA 0.132 4.688 4.556 0.001 0.000 0.297 456 H C 2.547 177.750 175.328 -0.207 0.000 1.075 456 H CA 1.188 57.027 56.048 -0.349 0.000 1.342 456 H CB 0.136 29.562 29.762 -0.560 0.000 1.395 456 H HN 0.531 nan 8.280 nan 0.000 0.530 457 A N 0.941 123.529 122.820 -0.387 0.000 1.883 457 A HA -0.238 4.082 4.320 0.001 0.000 0.217 457 A C 1.774 179.389 177.584 0.052 0.000 1.186 457 A CA 1.779 53.787 52.037 -0.048 0.000 0.624 457 A CB -0.477 18.376 19.000 -0.245 0.000 0.822 457 A HN 0.475 nan 8.150 nan 0.000 0.444 458 H N -0.920 118.201 119.070 0.085 0.000 2.395 458 H HA 0.010 4.566 4.556 0.001 0.000 0.299 458 H C 2.162 177.567 175.328 0.128 0.000 1.070 458 H CA 1.328 57.434 56.048 0.098 0.000 1.356 458 H CB -0.489 29.309 29.762 0.059 0.000 1.401 458 H HN 0.415 nan 8.280 nan 0.000 0.524 459 L N 0.191 121.579 121.223 0.275 0.000 1.997 459 L HA -0.266 4.074 4.340 0.001 0.000 0.216 459 L C 2.562 179.591 176.870 0.264 0.000 1.074 459 L CA 1.724 56.719 54.840 0.258 0.000 0.763 459 L CB -0.425 41.815 42.059 0.301 0.000 0.890 459 L HN 0.147 nan 8.230 nan 0.000 0.434 460 F N -0.211 119.862 119.950 0.205 0.000 2.102 460 F HA -0.215 4.312 4.527 0.001 0.000 0.298 460 F C 2.049 177.979 175.800 0.217 0.000 1.105 460 F CA 1.597 59.728 58.000 0.217 0.000 1.239 460 F CB -0.291 38.855 39.000 0.243 0.000 0.991 460 F HN -0.079 nan 8.300 nan 0.000 0.474 461 L N 0.407 121.600 121.223 -0.050 0.000 2.083 461 L HA -0.224 4.116 4.340 0.001 0.000 0.209 461 L C 2.220 179.038 176.870 -0.088 0.000 1.083 461 L CA 1.089 55.841 54.840 -0.148 0.000 0.752 461 L CB -0.881 41.241 42.059 0.105 0.000 0.899 461 L HN 0.184 nan 8.230 nan 0.000 0.433 462 N N 0.347 119.051 118.700 0.007 0.000 2.106 462 N HA -0.113 4.627 4.740 0.001 0.000 0.188 462 N C 1.924 177.418 175.510 -0.027 0.000 1.029 462 N CA 1.326 54.386 53.050 0.016 0.000 0.848 462 N CB -0.213 38.309 38.487 0.058 0.000 1.007 462 N HN 0.285 nan 8.380 nan 0.000 0.423 463 I N -0.128 120.424 120.570 -0.030 0.000 2.179 463 I HA -0.257 3.913 4.170 0.001 0.000 0.242 463 I C 1.943 178.007 176.117 -0.088 0.000 1.088 463 I CA 1.004 62.288 61.300 -0.026 0.000 1.357 463 I CB -0.190 37.838 38.000 0.047 0.000 1.051 463 I HN -0.021 nan 8.210 nan 0.000 0.409 464 F N 0.594 120.303 119.950 -0.403 0.000 2.259 464 F HA -0.172 4.356 4.527 0.001 0.000 0.298 464 F C 2.800 178.419 175.800 -0.302 0.000 1.088 464 F CA 1.357 59.102 58.000 -0.425 0.000 1.358 464 F CB -0.316 38.230 39.000 -0.755 0.000 1.040 464 F HN -0.057 nan 8.300 nan 0.000 0.505 465 S N 0.053 115.653 115.700 -0.167 0.000 2.353 465 S HA -0.216 4.254 4.470 0.001 0.000 0.222 465 S C 1.840 176.325 174.600 -0.192 0.000 1.035 465 S CA 1.949 60.068 58.200 -0.135 0.000 1.025 465 S CB -0.490 62.709 63.200 -0.002 0.000 0.902 465 S HN 0.397 nan 8.310 nan 0.000 0.440 466 D N 1.179 121.494 120.400 -0.142 0.000 2.123 466 D HA -0.084 4.557 4.640 0.001 0.000 0.196 466 D C 1.872 178.052 176.300 -0.200 0.000 0.992 466 D CA 1.197 55.125 54.000 -0.120 0.000 0.833 466 D CB -0.486 40.270 40.800 -0.073 0.000 0.954 466 D HN 0.459 nan 8.370 nan 0.000 0.455 467 I N 0.346 120.727 120.570 -0.315 0.000 2.226 467 I HA -0.246 3.925 4.170 0.001 0.000 0.245 467 I C 2.352 178.191 176.117 -0.464 0.000 1.100 467 I CA 0.792 61.862 61.300 -0.383 0.000 1.374 467 I CB -0.133 37.545 38.000 -0.537 0.000 1.057 467 I HN -0.011 nan 8.210 nan 0.000 0.413 468 L N 0.236 121.037 121.223 -0.704 0.000 2.093 468 L HA -0.136 4.205 4.340 0.001 0.000 0.208 468 L C 2.810 179.372 176.870 -0.514 0.000 1.085 468 L CA 1.025 55.364 54.840 -0.835 0.000 0.755 468 L CB -0.682 40.550 42.059 -1.379 0.000 0.904 468 L HN 0.218 nan 8.230 nan 0.000 0.435 469 A N 0.874 123.513 122.820 -0.301 0.000 1.978 469 A HA -0.238 4.082 4.320 0.001 0.000 0.220 469 A C 1.513 179.140 177.584 0.071 0.000 1.170 469 A CA 2.153 54.224 52.037 0.058 0.000 0.636 469 A CB -0.521 18.525 19.000 0.076 0.000 0.810 469 A HN 0.632 nan 8.150 nan 0.000 0.448 470 D N -2.994 117.401 120.400 -0.008 0.000 2.501 470 D HA 0.255 4.896 4.640 0.001 0.000 0.224 470 D C 0.174 176.470 176.300 -0.006 0.000 1.202 470 D CA -0.623 53.382 54.000 0.007 0.000 0.829 470 D CB -0.360 40.433 40.800 -0.012 0.000 1.023 470 D HN 0.251 nan 8.370 nan 0.000 0.499 471 F N 0.000 119.829 119.950 -0.201 0.000 2.286 471 F HA 0.000 4.527 4.527 0.001 0.000 0.279 471 F CA 0.000 57.812 58.000 -0.314 0.000 1.383 471 F CB 0.000 38.586 39.000 -0.691 0.000 1.145 471 F HN 0.000 nan 8.300 nan 0.000 0.574