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 2byv_1_E DATA FIRST_RESID 15 DATA SEQUENCE WIACLDKRPL ERSSEDVDII FTRLKGVKAF EKFHPNLLRQ ICLCGYYENL DATA SEQUENCE EKGITLFRQG DIGTNWYAVL AGSLDVKVSE TSSHQDAVTI CTLGIGTAFG DATA SEQUENCE ESILDNTPRH ATIVTRESSE LLRIEQEDFK ALWEKYRQYM AGLLAPPYGV DATA SEQUENCE METGSNXXXX XXXXNVPSEK ILRAGKILRI AILSRAPHMI RDRKYHLKTY DATA SEQUENCE RQCCVGTELV DWMIQQTSCV HSRTQAVGMW QVLLEDGVLN HVDQERHFQD DATA SEQUENCE KYLFYRFLDD EREDAPLPTE EEKKECDEEL QDTMLLLSQM GPDAHMRMIL DATA SEQUENCE RKPPGQRTVD DLEIIYDELL HIKALSHLST TVKRELAGVL IFESHAKGGT DATA SEQUENCE VLFNQGEEGT SWYIILKGSV NVVIYGKGVV CTLHEGDDFG KLALVNDAPR DATA SEQUENCE AASIVLREDN CHFLRVDKED FNRILRDVEA NTVRLKEHDQ DVLVLEKVPA DATA SEQUENCE XXXXXXXXXX XXQQKYTVMS GTPEKILEHF LETIRLEPSL NEATDSVLND DATA SEQUENCE FVMMHCVFMP NTQLCPALVA HYHAQPSQGT EQERMDYALN NKRRVIRLVL DATA SEQUENCE QWAAMYGDLL QEDDVAMAFL EEFYVSVSDD ARMMAAFKEQ LPELEKIVKX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXKRQ PIRGSDEVLF KVYCIDHTYT DATA SEQUENCE TIRVPVAASV KEVISAVADK LGSGEGLIIV KMNSGGEKVV LKSNDVSVFT DATA SEQUENCE TLTINGRLFA XXXXXXXSLT PLPEQEGPTT GTVGTFELMS SKDLAYQMTT DATA SEQUENCE YDWELFNCVH ELELIYHTFG RHNFKKTTAN LDLFLRRFNE IQFWVVTEVC DATA SEQUENCE LCSQLSKRVQ LLKKFIKIAA HCKEYKNLNS FFAIVMGLSN VAVSRLALTW DATA SEQUENCE EKLPSKFKKF YAEFESLMDP SRNHRAYRLT AAKLEPPLIP FMPLLIKDMT DATA SEQUENCE FTHEGNKTFI DNLVNFEKMR MIANTARTVR YYRSQPFNPD AAQANKNHQD DATA SEQUENCE VRSYVRQLNV IDNQRTLSQM SHRLEPR 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 15 W HA 0.000 nan 4.660 nan 0.000 0.303 15 W C 0.000 176.440 176.519 -0.132 0.000 1.175 15 W CA 0.000 57.304 57.345 -0.068 0.000 1.226 15 W CB 0.000 29.431 29.460 -0.048 0.000 1.126 16 I N 2.892 122.850 120.570 -1.019 0.000 2.315 16 I HA -0.141 4.030 4.170 0.001 0.000 0.248 16 I C 2.859 178.653 176.117 -0.538 0.000 1.117 16 I CA 2.268 62.912 61.300 -1.093 0.000 1.404 16 I CB -0.750 36.477 38.000 -1.289 0.000 1.071 16 I HN 0.045 nan 8.210 nan 0.000 0.419 17 A N 0.366 122.974 122.820 -0.353 0.000 1.883 17 A HA -0.236 4.084 4.320 0.001 0.000 0.217 17 A C 2.474 179.990 177.584 -0.114 0.000 1.186 17 A CA 2.021 53.944 52.037 -0.189 0.000 0.624 17 A CB -1.249 17.673 19.000 -0.130 0.000 0.822 17 A HN 0.550 nan 8.150 nan 0.000 0.444 18 C N -0.981 118.273 119.300 -0.077 0.000 2.432 18 C HA -0.031 4.430 4.460 0.001 0.000 0.277 18 C C 2.587 177.568 174.990 -0.016 0.000 1.249 18 C CA 0.943 59.949 59.018 -0.020 0.000 1.725 18 C CB -1.535 26.223 27.740 0.030 0.000 2.028 18 C HN 0.625 nan 8.230 nan 0.000 0.477 19 L N 0.560 121.769 121.223 -0.023 0.000 2.201 19 L HA -0.142 4.199 4.340 0.001 0.000 0.212 19 L C 2.444 179.344 176.870 0.049 0.000 1.105 19 L CA 1.350 56.208 54.840 0.030 0.000 0.775 19 L CB -0.598 41.515 42.059 0.089 0.000 0.913 19 L HN 0.424 nan 8.230 nan 0.000 0.440 20 D N 0.336 120.725 120.400 -0.020 0.000 2.178 20 D HA -0.133 4.507 4.640 0.001 0.000 0.202 20 D C 1.129 177.465 176.300 0.060 0.000 0.974 20 D CA 0.678 54.697 54.000 0.031 0.000 0.841 20 D CB 0.280 41.058 40.800 -0.037 0.000 0.953 20 D HN 0.018 nan 8.370 nan 0.000 0.478 21 K N 0.555 120.969 120.400 0.024 0.000 2.276 21 K HA 0.055 4.376 4.320 0.001 0.000 0.259 21 K C 0.091 176.716 176.600 0.042 0.000 1.001 21 K CA -0.279 56.025 56.287 0.028 0.000 0.927 21 K CB 0.571 33.074 32.500 0.004 0.000 0.969 21 K HN -0.197 nan 8.250 nan 0.000 0.490 22 R N 3.016 123.547 120.500 0.053 0.000 2.594 22 R HA 0.065 4.406 4.340 0.001 0.000 0.272 22 R C -1.827 174.465 176.300 -0.013 0.000 1.074 22 R CA -1.870 54.266 56.100 0.061 0.000 1.105 22 R CB -0.188 30.163 30.300 0.085 0.000 1.008 22 R HN 0.580 nan 8.270 nan 0.000 0.472 23 P HA -0.138 nan 4.420 nan 0.000 0.215 23 P C 1.038 178.320 177.300 -0.030 0.000 1.157 23 P CA 1.371 64.414 63.100 -0.095 0.000 0.874 23 P CB 0.132 31.756 31.700 -0.126 0.000 0.790 24 L N -1.145 120.078 121.223 -0.001 0.000 2.465 24 L HA -0.076 4.265 4.340 0.001 0.000 0.224 24 L C 2.033 178.907 176.870 0.007 0.000 1.145 24 L CA 1.200 56.045 54.840 0.009 0.000 0.834 24 L CB -0.613 41.459 42.059 0.023 0.000 0.944 24 L HN 0.033 nan 8.230 nan 0.000 0.451 25 E N -0.053 120.150 120.200 0.005 0.000 2.340 25 E HA 0.033 4.384 4.350 0.001 0.000 0.198 25 E C 0.350 176.949 176.600 -0.001 0.000 0.961 25 E CA -0.243 56.161 56.400 0.006 0.000 0.905 25 E CB 0.398 30.105 29.700 0.012 0.000 0.884 25 E HN 0.439 nan 8.360 nan 0.000 0.491 26 R N 1.975 122.471 120.500 -0.006 0.000 2.401 26 R HA 0.211 4.552 4.340 0.001 0.000 0.299 26 R C 0.355 176.651 176.300 -0.008 0.000 1.064 26 R CA -0.187 55.908 56.100 -0.008 0.000 1.000 26 R CB 0.555 30.848 30.300 -0.011 0.000 0.973 26 R HN -0.118 nan 8.270 nan 0.000 0.438 27 S N 1.690 117.386 115.700 -0.006 0.000 2.625 27 S HA -0.046 4.425 4.470 0.001 0.000 0.258 27 S C 1.193 175.786 174.600 -0.011 0.000 1.256 27 S CA -0.042 58.153 58.200 -0.008 0.000 0.983 27 S CB 1.276 64.471 63.200 -0.008 0.000 1.032 27 S HN 0.696 nan 8.310 nan 0.000 0.572 28 S N -0.437 115.254 115.700 -0.015 0.000 2.406 28 S HA -0.036 4.435 4.470 0.001 0.000 0.228 28 S C 1.698 176.285 174.600 -0.022 0.000 1.020 28 S CA 0.896 59.083 58.200 -0.022 0.000 0.965 28 S CB -0.732 62.453 63.200 -0.026 0.000 0.798 28 S HN 0.702 nan 8.310 nan 0.000 0.488 29 E N 0.229 120.421 120.200 -0.013 0.000 2.216 29 E HA -0.081 4.270 4.350 0.001 0.000 0.192 29 E C 1.282 177.886 176.600 0.007 0.000 0.988 29 E CA 0.857 57.253 56.400 -0.006 0.000 0.834 29 E CB -0.057 29.640 29.700 -0.005 0.000 0.772 29 E HN 0.520 nan 8.360 nan 0.000 0.479 30 D N 0.340 120.744 120.400 0.006 0.000 2.117 30 D HA -0.140 4.501 4.640 0.001 0.000 0.197 30 D C 1.994 178.310 176.300 0.028 0.000 0.987 30 D CA 0.832 54.842 54.000 0.016 0.000 0.829 30 D CB -0.241 40.563 40.800 0.007 0.000 0.961 30 D HN 0.020 nan 8.370 nan 0.000 0.460 31 V N 1.439 121.361 119.914 0.013 0.000 2.515 31 V HA -0.181 3.940 4.120 0.001 0.000 0.250 31 V C 1.841 177.957 176.094 0.038 0.000 1.058 31 V CA 1.463 63.774 62.300 0.018 0.000 1.064 31 V CB -0.376 31.439 31.823 -0.013 0.000 0.675 31 V HN 0.119 nan 8.190 nan 0.000 0.461 32 D N 0.747 121.157 120.400 0.016 0.000 2.097 32 D HA -0.142 4.499 4.640 0.001 0.000 0.195 32 D C 2.052 178.412 176.300 0.099 0.000 0.989 32 D CA 2.047 56.063 54.000 0.026 0.000 0.827 32 D CB -0.096 40.704 40.800 -0.000 0.000 0.966 32 D HN 0.620 nan 8.370 nan 0.000 0.456 33 I N -1.108 119.513 120.570 0.085 0.000 2.876 33 I HA 0.027 4.197 4.170 0.001 0.000 0.264 33 I C 2.455 178.640 176.117 0.113 0.000 1.204 33 I CA 0.390 61.749 61.300 0.099 0.000 1.485 33 I CB -0.205 37.851 38.000 0.094 0.000 1.103 33 I HN -0.124 nan 8.210 nan 0.000 0.446 34 I N 0.648 121.291 120.570 0.121 0.000 2.353 34 I HA -0.223 3.947 4.170 0.001 0.000 0.248 34 I C 2.416 178.538 176.117 0.009 0.000 1.119 34 I CA 1.358 62.719 61.300 0.101 0.000 1.417 34 I CB -0.048 38.023 38.000 0.119 0.000 1.078 34 I HN 0.227 nan 8.210 nan 0.000 0.421 35 F N 1.805 121.702 119.950 -0.088 0.000 2.171 35 F HA -0.233 4.294 4.527 0.001 0.000 0.300 35 F C 2.344 178.071 175.800 -0.122 0.000 1.090 35 F CA 2.262 60.186 58.000 -0.126 0.000 1.293 35 F CB -0.455 38.483 39.000 -0.104 0.000 1.013 35 F HN 0.022 nan 8.300 nan 0.000 0.486 36 T N 0.087 114.686 114.554 0.074 0.000 2.833 36 T HA -0.220 4.131 4.350 0.001 0.000 0.269 36 T C 1.864 176.470 174.700 -0.157 0.000 1.054 36 T CA 1.557 63.648 62.100 -0.015 0.000 1.135 36 T CB -0.298 68.595 68.868 0.042 0.000 0.869 36 T HN 0.169 nan 8.240 nan 0.000 0.466 37 R N 1.360 121.730 120.500 -0.217 0.000 2.057 37 R HA 0.162 4.503 4.340 0.001 0.000 0.229 37 R C 2.059 178.109 176.300 -0.416 0.000 1.136 37 R CA 1.300 57.155 56.100 -0.408 0.000 0.952 37 R CB -0.888 28.987 30.300 -0.708 0.000 0.848 37 R HN 0.351 nan 8.270 nan 0.000 0.430 38 L N 0.716 121.698 121.223 -0.402 0.000 2.551 38 L HA 0.033 4.374 4.340 0.001 0.000 0.228 38 L C 2.176 178.821 176.870 -0.374 0.000 1.153 38 L CA 0.653 55.273 54.840 -0.368 0.000 0.851 38 L CB -0.309 41.453 42.059 -0.495 0.000 0.959 38 L HN 0.234 nan 8.230 nan 0.000 0.451 39 K N 0.515 120.638 120.400 -0.462 0.000 2.002 39 K HA -0.122 4.199 4.320 0.001 0.000 0.209 39 K C 2.059 178.532 176.600 -0.211 0.000 1.048 39 K CA 1.570 57.617 56.287 -0.401 0.000 0.930 39 K CB -0.294 31.989 32.500 -0.362 0.000 0.714 39 K HN 0.383 nan 8.250 nan 0.000 0.438 40 G N 0.831 109.520 108.800 -0.184 0.000 2.511 40 G HA2 -0.058 3.902 3.960 0.001 0.000 0.217 40 G HA3 -0.058 3.902 3.960 0.001 0.000 0.217 40 G C 0.503 175.335 174.900 -0.113 0.000 1.133 40 G CA -0.103 44.919 45.100 -0.129 0.000 0.792 40 G HN 0.059 nan 8.290 nan 0.000 0.539 41 V N 1.311 121.151 119.914 -0.123 0.000 2.539 41 V HA -0.048 4.073 4.120 0.001 0.000 0.300 41 V C 1.812 177.847 176.094 -0.098 0.000 1.019 41 V CA 0.456 62.699 62.300 -0.095 0.000 1.160 41 V CB 1.027 32.833 31.823 -0.028 0.000 0.901 41 V HN 0.428 nan 8.190 nan 0.000 0.481 42 K N 4.531 124.861 120.400 -0.116 0.000 2.113 42 K HA -0.226 4.094 4.320 0.001 0.000 0.208 42 K C 2.051 178.548 176.600 -0.173 0.000 1.047 42 K CA 1.706 57.926 56.287 -0.111 0.000 0.928 42 K CB -0.117 32.330 32.500 -0.088 0.000 0.716 42 K HN 0.860 nan 8.250 nan 0.000 0.446 43 A N -0.063 122.559 122.820 -0.330 0.000 1.972 43 A HA -0.094 4.227 4.320 0.001 0.000 0.219 43 A C 1.482 178.720 177.584 -0.576 0.000 1.169 43 A CA 1.134 52.846 52.037 -0.541 0.000 0.635 43 A CB -0.401 18.080 19.000 -0.866 0.000 0.810 43 A HN 0.366 nan 8.150 nan 0.000 0.446 44 F N -0.433 119.364 119.950 -0.255 0.000 2.664 44 F HA 0.185 4.713 4.527 0.001 0.000 0.303 44 F C 1.653 177.432 175.800 -0.036 0.000 1.092 44 F CA -0.085 57.654 58.000 -0.435 0.000 1.305 44 F CB 0.223 38.819 39.000 -0.672 0.000 1.054 44 F HN 0.211 nan 8.300 nan 0.000 0.565 45 E N 0.695 120.963 120.200 0.114 0.000 2.472 45 E HA -0.127 4.224 4.350 0.001 0.000 0.200 45 E C 1.556 178.249 176.600 0.156 0.000 1.046 45 E CA 0.715 57.170 56.400 0.093 0.000 0.871 45 E CB 0.003 29.721 29.700 0.029 0.000 0.806 45 E HN 0.445 nan 8.360 nan 0.000 0.533 46 K N -0.304 120.264 120.400 0.280 0.000 2.355 46 K HA 0.111 4.432 4.320 0.001 0.000 0.198 46 K C -0.090 176.679 176.600 0.282 0.000 1.039 46 K CA -0.280 56.150 56.287 0.238 0.000 1.075 46 K CB 0.508 33.117 32.500 0.180 0.000 0.870 46 K HN -0.065 nan 8.250 nan 0.000 0.540 47 F N 1.476 121.500 119.950 0.124 0.000 2.496 47 F HA 0.021 4.548 4.527 0.001 0.000 0.344 47 F C 1.267 177.114 175.800 0.078 0.000 1.155 47 F CA -0.464 57.616 58.000 0.134 0.000 1.302 47 F CB 0.182 39.284 39.000 0.171 0.000 1.159 47 F HN 0.047 nan 8.300 nan 0.000 0.595 48 H N 5.286 124.397 119.070 0.068 0.000 2.722 48 H HA 0.078 4.634 4.556 0.001 0.000 0.328 48 H C -1.606 173.695 175.328 -0.045 0.000 1.067 48 H CA -1.468 54.517 56.048 -0.106 0.000 1.447 48 H CB 1.470 30.920 29.762 -0.520 0.000 1.469 48 H HN 0.256 nan 8.280 nan 0.000 0.544 49 P HA -0.223 nan 4.420 nan 0.000 0.217 49 P C 0.864 178.121 177.300 -0.072 0.000 1.158 49 P CA 1.499 64.529 63.100 -0.116 0.000 0.887 49 P CB 0.447 32.007 31.700 -0.234 0.000 0.792 50 N N -0.797 117.798 118.700 -0.174 0.000 2.142 50 N HA -0.102 4.638 4.740 0.001 0.000 0.186 50 N C 1.688 177.072 175.510 -0.209 0.000 1.023 50 N CA 0.524 53.560 53.050 -0.023 0.000 0.852 50 N CB -1.190 37.424 38.487 0.212 0.000 0.998 50 N HN 0.061 nan 8.380 nan 0.000 0.424 51 L N 0.220 121.219 121.223 -0.374 0.000 2.046 51 L HA -0.025 4.316 4.340 0.001 0.000 0.208 51 L C 1.829 178.570 176.870 -0.215 0.000 1.077 51 L CA 1.345 55.782 54.840 -0.671 0.000 0.747 51 L CB -0.725 41.101 42.059 -0.389 0.000 0.896 51 L HN 0.131 nan 8.230 nan 0.000 0.432 52 L N -0.084 121.127 121.223 -0.021 0.000 2.056 52 L HA -0.168 4.173 4.340 0.001 0.000 0.207 52 L C 2.772 179.658 176.870 0.027 0.000 1.078 52 L CA 1.965 56.786 54.840 -0.032 0.000 0.749 52 L CB -0.792 41.239 42.059 -0.046 0.000 0.901 52 L HN 0.403 nan 8.230 nan 0.000 0.433 53 R N -1.340 119.226 120.500 0.111 0.000 2.096 53 R HA -0.167 4.174 4.340 0.001 0.000 0.235 53 R C 2.233 178.529 176.300 -0.006 0.000 1.127 53 R CA 1.332 57.457 56.100 0.041 0.000 0.968 53 R CB -0.173 30.055 30.300 -0.121 0.000 0.861 53 R HN 0.450 nan 8.270 nan 0.000 0.440 54 Q N 0.267 120.048 119.800 -0.032 0.000 2.224 54 Q HA -0.098 4.243 4.340 0.001 0.000 0.203 54 Q C 2.082 178.087 176.000 0.009 0.000 0.970 54 Q CA 1.184 56.990 55.803 0.006 0.000 0.865 54 Q CB 0.092 28.855 28.738 0.042 0.000 0.922 54 Q HN 0.479 nan 8.270 nan 0.000 0.445 55 I N -0.555 120.002 120.570 -0.021 0.000 2.286 55 I HA -0.289 3.881 4.170 0.001 0.000 0.245 55 I C 2.395 178.488 176.117 -0.039 0.000 1.104 55 I CA 0.488 61.782 61.300 -0.009 0.000 1.397 55 I CB -0.252 37.709 38.000 -0.066 0.000 1.072 55 I HN 0.169 nan 8.210 nan 0.000 0.417 56 C N 0.415 119.678 119.300 -0.061 0.000 2.413 56 C HA -0.176 4.285 4.460 0.001 0.000 0.276 56 C C 2.767 177.744 174.990 -0.020 0.000 1.248 56 C CA 0.642 59.641 59.018 -0.031 0.000 1.742 56 C CB -0.986 26.768 27.740 0.024 0.000 2.017 56 C HN 0.519 nan 8.230 nan 0.000 0.481 57 L N 1.668 122.880 121.223 -0.017 0.000 2.046 57 L HA -0.103 4.237 4.340 0.001 0.000 0.208 57 L C 2.246 179.082 176.870 -0.056 0.000 1.077 57 L CA 2.557 57.383 54.840 -0.024 0.000 0.747 57 L CB -0.656 41.399 42.059 -0.006 0.000 0.896 57 L HN 0.621 nan 8.230 nan 0.000 0.432 58 C N -1.659 117.609 119.300 -0.054 0.000 3.104 58 C HA 0.650 5.111 4.460 0.001 0.000 0.284 58 C C 1.198 176.079 174.990 -0.183 0.000 1.326 58 C CA -0.474 58.484 59.018 -0.100 0.000 1.725 58 C CB -1.487 26.250 27.740 -0.004 0.000 2.156 58 C HN 0.449 nan 8.230 nan 0.000 0.638 59 G N 0.230 108.952 108.800 -0.129 0.000 2.395 59 G HA2 0.533 4.494 3.960 0.001 0.000 0.283 59 G HA3 0.533 4.494 3.960 0.001 0.000 0.283 59 G C -1.252 173.550 174.900 -0.164 0.000 1.178 59 G CA -0.097 44.965 45.100 -0.063 0.000 0.837 59 G HN 0.508 nan 8.290 nan 0.000 0.518 60 Y N -0.140 120.223 120.300 0.104 0.000 2.419 60 Y HA 0.401 4.954 4.550 0.004 0.000 0.328 60 Y C -0.105 175.900 175.900 0.175 0.000 1.162 60 Y CA -0.585 57.587 58.100 0.121 0.000 1.174 60 Y CB 1.793 40.299 38.460 0.077 0.000 1.228 60 Y HN 0.582 nan 8.280 nan 0.000 0.473 61 Y N 2.076 122.517 120.300 0.235 0.000 2.334 61 Y HA 0.420 4.970 4.550 -0.000 0.000 0.328 61 Y C -0.677 175.311 175.900 0.145 0.000 1.130 61 Y CA -0.732 57.472 58.100 0.173 0.000 1.163 61 Y CB 0.975 39.507 38.460 0.121 0.000 1.207 61 Y HN 0.517 nan 8.280 nan 0.000 0.471 62 E N 4.898 124.811 120.200 -0.478 0.000 2.265 62 E HA 0.107 4.457 4.350 0.001 0.000 0.262 62 E C -1.587 174.710 176.600 -0.506 0.000 0.889 62 E CA -0.638 55.575 56.400 -0.312 0.000 0.789 62 E CB 1.571 31.221 29.700 -0.083 0.000 1.221 62 E HN 0.587 nan 8.360 nan 0.000 0.414 63 N N 4.931 123.451 118.700 -0.300 0.000 2.707 63 N HA 0.272 5.012 4.740 0.001 0.000 0.235 63 N C -0.948 174.521 175.510 -0.069 0.000 1.028 63 N CA -0.144 52.807 53.050 -0.165 0.000 0.906 63 N CB 0.410 38.918 38.487 0.033 0.000 1.131 63 N HN 0.420 nan 8.380 nan 0.000 0.509 64 L N 1.079 122.255 121.223 -0.078 0.000 2.352 64 L HA 0.477 4.817 4.340 0.001 0.000 0.269 64 L C 0.981 177.823 176.870 -0.046 0.000 1.034 64 L CA -0.915 53.889 54.840 -0.060 0.000 0.806 64 L CB 1.168 43.181 42.059 -0.078 0.000 1.244 64 L HN 0.211 nan 8.230 nan 0.000 0.447 65 E N 0.985 121.159 120.200 -0.044 0.000 2.312 65 E HA 0.188 4.539 4.350 0.001 0.000 0.259 65 E C -0.601 175.969 176.600 -0.051 0.000 1.122 65 E CA -0.626 55.750 56.400 -0.039 0.000 0.922 65 E CB 1.056 30.735 29.700 -0.034 0.000 1.109 65 E HN 0.312 nan 8.360 nan 0.000 0.442 66 K N -0.323 120.049 120.400 -0.046 0.000 2.436 66 K HA 0.122 4.443 4.320 0.001 0.000 0.275 66 K C 0.603 177.167 176.600 -0.060 0.000 0.999 66 K CA 1.048 57.303 56.287 -0.053 0.000 0.980 66 K CB 0.090 32.563 32.500 -0.045 0.000 0.919 66 K HN 0.665 nan 8.250 nan 0.000 0.484 67 G N 3.442 112.197 108.800 -0.074 0.000 2.157 67 G HA2 -0.237 3.723 3.960 0.001 0.000 0.248 67 G HA3 -0.237 3.723 3.960 0.001 0.000 0.248 67 G C 0.029 174.876 174.900 -0.088 0.000 0.979 67 G CA 0.035 45.089 45.100 -0.077 0.000 0.650 67 G HN 0.590 nan 8.290 nan 0.000 0.529 68 I N 2.446 122.956 120.570 -0.099 0.000 2.325 68 I HA 0.357 4.528 4.170 0.001 0.000 0.291 68 I C 1.156 177.179 176.117 -0.156 0.000 1.019 68 I CA 0.059 61.293 61.300 -0.110 0.000 1.302 68 I CB 1.399 39.341 38.000 -0.096 0.000 1.401 68 I HN 0.249 nan 8.210 nan 0.000 0.485 69 T N 5.086 119.545 114.554 -0.157 0.000 2.780 69 T HA 0.358 4.709 4.350 0.001 0.000 0.294 69 T C 1.014 175.572 174.700 -0.236 0.000 0.949 69 T CA -0.591 61.380 62.100 -0.216 0.000 1.074 69 T CB 0.874 69.632 68.868 -0.183 0.000 0.910 69 T HN 0.474 nan 8.240 nan 0.000 0.501 70 L N 2.490 123.478 121.223 -0.392 0.000 2.095 70 L HA 0.266 4.607 4.340 0.001 0.000 0.204 70 L C 0.297 177.050 176.870 -0.195 0.000 1.080 70 L CA 0.597 55.207 54.840 -0.384 0.000 0.759 70 L CB -0.227 41.429 42.059 -0.671 0.000 0.914 70 L HN 0.802 nan 8.230 nan 0.000 0.439 71 F N -2.956 116.962 119.950 -0.053 0.000 2.713 71 F HA 0.614 5.140 4.527 -0.000 0.000 0.311 71 F C -0.629 175.139 175.800 -0.052 0.000 1.141 71 F CA -1.763 56.222 58.000 -0.026 0.000 0.939 71 F CB 0.917 39.933 39.000 0.026 0.000 1.325 71 F HN -0.332 nan 8.300 nan 0.000 0.453 72 R N 0.417 121.050 120.500 0.222 0.000 2.787 72 R HA 0.392 4.732 4.340 0.001 0.000 0.271 72 R C -0.840 175.576 176.300 0.194 0.000 0.993 72 R CA -1.228 54.922 56.100 0.083 0.000 0.993 72 R CB 1.771 31.970 30.300 -0.168 0.000 1.155 72 R HN 0.840 nan 8.270 nan 0.000 0.486 73 Q N 0.681 120.600 119.800 0.198 0.000 2.247 73 Q HA 0.067 4.408 4.340 0.001 0.000 0.288 73 Q C 0.400 176.512 176.000 0.188 0.000 1.079 73 Q CA 1.448 57.374 55.803 0.205 0.000 0.932 73 Q CB 0.271 29.136 28.738 0.212 0.000 1.133 73 Q HN 0.904 nan 8.270 nan 0.000 0.377 74 G N 3.661 112.521 108.800 0.100 0.000 2.238 74 G HA2 -0.191 3.770 3.960 0.001 0.000 0.217 74 G HA3 -0.191 3.770 3.960 0.001 0.000 0.217 74 G C -0.326 174.599 174.900 0.041 0.000 0.996 74 G CA -0.022 45.116 45.100 0.063 0.000 0.632 74 G HN 0.674 nan 8.290 nan 0.000 0.503 75 D N 0.852 121.283 120.400 0.052 0.000 2.371 75 D HA 0.429 5.070 4.640 0.001 0.000 0.242 75 D C 1.128 177.416 176.300 -0.020 0.000 1.218 75 D CA -0.213 53.808 54.000 0.035 0.000 0.945 75 D CB 0.506 41.348 40.800 0.070 0.000 1.137 75 D HN 0.116 nan 8.370 nan 0.000 0.464 76 I N 1.293 121.857 120.570 -0.011 0.000 2.396 76 I HA 0.200 4.371 4.170 0.001 0.000 0.289 76 I C 1.318 177.402 176.117 -0.056 0.000 1.056 76 I CA -0.230 61.051 61.300 -0.032 0.000 1.365 76 I CB -0.157 37.838 38.000 -0.008 0.000 1.407 76 I HN 0.178 nan 8.210 nan 0.000 0.509 77 G N 4.398 113.130 108.800 -0.112 0.000 2.527 77 G HA2 0.387 4.347 3.960 0.001 0.000 0.248 77 G HA3 0.387 4.347 3.960 0.001 0.000 0.248 77 G C 0.471 175.332 174.900 -0.065 0.000 1.231 77 G CA -0.114 44.894 45.100 -0.153 0.000 0.838 77 G HN 0.705 nan 8.290 nan 0.000 0.570 78 T N 0.613 115.147 114.554 -0.035 0.000 3.105 78 T HA 0.177 4.528 4.350 0.001 0.000 0.257 78 T C 0.657 175.333 174.700 -0.041 0.000 0.949 78 T CA 0.027 62.122 62.100 -0.009 0.000 0.959 78 T CB 0.246 69.127 68.868 0.022 0.000 1.205 78 T HN 0.489 nan 8.240 nan 0.000 0.496 79 N N -0.081 118.571 118.700 -0.080 0.000 2.312 79 N HA 0.413 5.154 4.740 0.001 0.000 0.296 79 N C -1.861 173.407 175.510 -0.403 0.000 1.193 79 N CA -0.546 52.327 53.050 -0.294 0.000 0.773 79 N CB 2.630 40.778 38.487 -0.565 0.000 1.435 79 N HN 0.198 nan 8.380 nan 0.000 0.484 80 W N 1.821 122.638 121.300 -0.806 0.000 2.570 80 W HA 0.510 5.170 4.660 0.001 0.000 0.337 80 W C -1.444 174.522 176.519 -0.923 0.000 1.067 80 W CA -0.361 56.455 57.345 -0.882 0.000 1.229 80 W CB 0.549 29.101 29.460 -1.514 0.000 1.355 80 W HN 0.406 nan 8.180 nan 0.000 0.555 81 Y N 3.283 122.686 120.300 -1.496 0.000 2.499 81 Y HA 0.748 5.297 4.550 -0.000 0.000 0.347 81 Y C 0.016 174.948 175.900 -1.613 0.000 0.987 81 Y CA -1.323 55.941 58.100 -1.393 0.000 1.044 81 Y CB 2.151 39.743 38.460 -1.447 0.000 1.245 81 Y HN 0.555 nan 8.280 nan 0.000 0.461 82 A N 1.619 123.957 122.820 -0.802 0.000 2.359 82 A HA 0.690 5.011 4.320 0.001 0.000 0.303 82 A C -1.442 175.993 177.584 -0.248 0.000 1.066 82 A CA -0.743 50.953 52.037 -0.568 0.000 0.730 82 A CB 0.686 19.355 19.000 -0.550 0.000 1.211 82 A HN 0.517 nan 8.150 nan 0.000 0.439 83 V N 4.188 124.012 119.914 -0.150 0.000 2.508 83 V HA 0.103 4.224 4.120 0.001 0.000 0.281 83 V C 0.976 177.019 176.094 -0.084 0.000 1.041 83 V CA 0.392 62.661 62.300 -0.053 0.000 1.016 83 V CB 0.581 32.408 31.823 0.007 0.000 0.984 83 V HN 0.890 nan 8.190 nan 0.000 0.478 84 L N 3.843 125.055 121.223 -0.019 0.000 2.467 84 L HA 0.556 4.897 4.340 0.001 0.000 0.213 84 L C 0.882 177.774 176.870 0.038 0.000 1.053 84 L CA 0.711 55.561 54.840 0.016 0.000 0.847 84 L CB 0.158 42.288 42.059 0.119 0.000 1.075 84 L HN 0.724 nan 8.230 nan 0.000 0.479 85 A N -0.601 122.246 122.820 0.046 0.000 2.520 85 A HA 0.675 4.996 4.320 0.001 0.000 0.298 85 A C -0.032 177.570 177.584 0.030 0.000 1.051 85 A CA 0.021 52.089 52.037 0.052 0.000 0.690 85 A CB 1.084 20.141 19.000 0.095 0.000 1.281 85 A HN 0.289 nan 8.150 nan 0.000 0.402 86 G N 0.469 109.287 108.800 0.030 0.000 2.508 86 G HA2 0.472 4.433 3.960 0.001 0.000 0.220 86 G HA3 0.472 4.433 3.960 0.001 0.000 0.220 86 G C -0.004 174.899 174.900 0.005 0.000 1.287 86 G CA 0.199 45.310 45.100 0.018 0.000 0.916 86 G HN 2.799 nan 8.290 nan 0.000 0.574 87 S N -1.625 114.066 115.700 -0.015 0.000 2.567 87 S HA 0.793 5.264 4.470 0.001 0.000 0.270 87 S C -1.284 173.270 174.600 -0.076 0.000 1.152 87 S CA -0.589 57.592 58.200 -0.031 0.000 0.835 87 S CB 2.171 65.367 63.200 -0.006 0.000 1.115 87 S HN 1.538 nan 8.310 nan 0.000 0.459 88 L N 1.194 122.346 121.223 -0.117 0.000 2.393 88 L HA 0.643 4.984 4.340 0.001 0.000 0.260 88 L C -1.074 175.687 176.870 -0.182 0.000 1.002 88 L CA -0.502 54.225 54.840 -0.188 0.000 0.818 88 L CB 1.889 43.762 42.059 -0.310 0.000 1.369 88 L HN 0.680 nan 8.230 nan 0.000 0.412 89 D N 0.727 121.019 120.400 -0.181 0.000 2.193 89 D HA 0.504 5.145 4.640 0.001 0.000 0.249 89 D C -0.825 175.376 176.300 -0.166 0.000 1.034 89 D CA -0.194 53.722 54.000 -0.141 0.000 0.902 89 D CB 2.609 43.342 40.800 -0.112 0.000 1.182 89 D HN 0.088 nan 8.370 nan 0.000 0.436 90 V N 2.633 122.484 119.914 -0.105 0.000 2.357 90 V HA 0.276 4.396 4.120 0.001 0.000 0.284 90 V C -0.005 176.075 176.094 -0.023 0.000 1.018 90 V CA -0.588 61.666 62.300 -0.077 0.000 0.841 90 V CB 1.227 33.020 31.823 -0.049 0.000 0.991 90 V HN 0.302 nan 8.190 nan 0.000 0.437 91 K N 3.868 124.259 120.400 -0.014 0.000 2.292 91 K HA 0.820 5.140 4.320 0.001 0.000 0.257 91 K C -1.373 175.259 176.600 0.054 0.000 0.940 91 K CA -0.644 55.651 56.287 0.013 0.000 0.811 91 K CB 2.618 35.114 32.500 -0.007 0.000 1.120 91 K HN 0.418 nan 8.250 nan 0.000 0.428 92 V N 1.409 121.361 119.914 0.063 0.000 2.638 92 V HA 0.331 4.451 4.120 0.001 0.000 0.306 92 V C -0.712 175.427 176.094 0.075 0.000 1.052 92 V CA -0.805 61.545 62.300 0.084 0.000 0.885 92 V CB 1.898 33.772 31.823 0.085 0.000 0.999 92 V HN 0.798 nan 8.190 nan 0.000 0.424 93 S N 2.367 118.116 115.700 0.083 0.000 2.475 93 S HA 0.406 4.877 4.470 0.001 0.000 0.298 93 S C 0.718 175.349 174.600 0.053 0.000 1.119 93 S CA -0.492 57.744 58.200 0.061 0.000 1.085 93 S CB 1.629 64.862 63.200 0.056 0.000 1.028 93 S HN 0.797 nan 8.310 nan 0.000 0.489 94 E N 1.950 122.175 120.200 0.043 0.000 2.216 94 E HA 0.017 4.367 4.350 0.001 0.000 0.192 94 E C 0.535 177.152 176.600 0.029 0.000 0.988 94 E CA 0.817 57.242 56.400 0.042 0.000 0.834 94 E CB 0.150 29.872 29.700 0.037 0.000 0.772 94 E HN 0.701 nan 8.360 nan 0.000 0.479 95 T N -0.354 114.209 114.554 0.015 0.000 2.852 95 T HA 0.131 4.482 4.350 0.001 0.000 0.281 95 T C 0.933 175.620 174.700 -0.021 0.000 0.993 95 T CA -0.378 61.721 62.100 -0.002 0.000 0.933 95 T CB 1.266 70.129 68.868 -0.009 0.000 1.187 95 T HN 0.007 nan 8.240 nan 0.000 0.559 96 S N -0.632 115.042 115.700 -0.044 0.000 2.618 96 S HA 0.334 4.804 4.470 0.001 0.000 0.242 96 S C 0.325 174.824 174.600 -0.167 0.000 0.972 96 S CA -0.698 57.449 58.200 -0.088 0.000 1.004 96 S CB -0.191 62.972 63.200 -0.062 0.000 0.778 96 S HN 0.515 nan 8.310 nan 0.000 0.459 97 S N 0.829 116.444 115.700 -0.142 0.000 2.552 97 S HA 0.360 4.831 4.470 0.001 0.000 0.314 97 S C 0.678 175.213 174.600 -0.108 0.000 1.099 97 S CA -0.646 57.461 58.200 -0.156 0.000 1.070 97 S CB 0.384 63.546 63.200 -0.063 0.000 0.998 97 S HN 0.437 nan 8.310 nan 0.000 0.474 98 H N 3.442 122.520 119.070 0.015 0.000 2.518 98 H HA -0.024 4.533 4.556 0.002 0.000 0.292 98 H C 0.992 176.324 175.328 0.007 0.000 1.068 98 H CA 1.262 57.318 56.048 0.013 0.000 1.275 98 H CB 0.228 29.997 29.762 0.012 0.000 1.375 98 H HN 0.675 nan 8.280 nan 0.000 0.563 99 Q N 0.250 120.110 119.800 0.100 0.000 2.280 99 Q HA 0.017 4.358 4.340 0.001 0.000 0.202 99 Q C 0.181 176.201 176.000 0.034 0.000 0.903 99 Q CA 0.048 55.885 55.803 0.057 0.000 0.948 99 Q CB 0.530 29.293 28.738 0.041 0.000 1.058 99 Q HN 0.381 nan 8.270 nan 0.000 0.493 100 D N 0.011 120.431 120.400 0.034 0.000 2.395 100 D HA 0.115 4.756 4.640 0.001 0.000 0.213 100 D C -0.241 176.079 176.300 0.032 0.000 1.110 100 D CA -0.044 53.970 54.000 0.024 0.000 0.835 100 D CB 0.564 41.373 40.800 0.015 0.000 0.965 100 D HN 0.160 nan 8.370 nan 0.000 0.505 101 A N 1.270 124.118 122.820 0.047 0.000 2.444 101 A HA 0.411 4.732 4.320 0.001 0.000 0.273 101 A C 0.529 178.130 177.584 0.028 0.000 1.136 101 A CA -0.491 51.576 52.037 0.051 0.000 0.799 101 A CB -0.109 18.933 19.000 0.070 0.000 1.081 101 A HN 0.138 nan 8.150 nan 0.000 0.509 102 V N 1.480 121.410 119.914 0.028 0.000 2.644 102 V HA 0.597 4.718 4.120 0.001 0.000 0.295 102 V C 0.360 176.463 176.094 0.016 0.000 1.053 102 V CA -0.501 61.809 62.300 0.016 0.000 0.987 102 V CB 1.086 32.920 31.823 0.019 0.000 1.006 102 V HN 0.687 nan 8.190 nan 0.000 0.472 103 T N 5.732 120.285 114.554 -0.002 0.000 2.727 103 T HA 0.393 4.743 4.350 0.001 0.000 0.295 103 T C 1.211 175.927 174.700 0.028 0.000 0.915 103 T CA 0.367 62.465 62.100 -0.004 0.000 1.066 103 T CB 0.367 69.214 68.868 -0.036 0.000 0.891 103 T HN 0.772 nan 8.240 nan 0.000 0.516 104 I N 0.286 120.891 120.570 0.058 0.000 3.265 104 I HA 0.291 4.461 4.170 0.001 0.000 0.282 104 I C 0.878 177.099 176.117 0.174 0.000 1.207 104 I CA -0.351 61.018 61.300 0.116 0.000 1.449 104 I CB 0.080 38.150 38.000 0.115 0.000 1.121 104 I HN 0.597 nan 8.210 nan 0.000 0.442 105 C N -0.856 118.521 119.300 0.128 0.000 3.320 105 C HA 0.785 5.245 4.460 0.001 0.000 0.335 105 C C -0.396 174.648 174.990 0.090 0.000 1.430 105 C CA -0.436 58.685 59.018 0.172 0.000 1.271 105 C CB 1.454 29.309 27.740 0.192 0.000 1.609 105 C HN 0.245 nan 8.230 nan 0.000 0.457 106 T N 3.173 117.796 114.554 0.115 0.000 2.879 106 T HA 0.682 5.033 4.350 0.001 0.000 0.290 106 T C -0.543 174.192 174.700 0.058 0.000 0.993 106 T CA -0.433 61.696 62.100 0.050 0.000 0.975 106 T CB 1.259 70.163 68.868 0.060 0.000 0.981 106 T HN 0.988 nan 8.240 nan 0.000 0.439 107 L N 0.600 121.819 121.223 -0.008 0.000 2.333 107 L HA 1.062 5.402 4.340 0.001 0.000 0.269 107 L C 0.061 176.932 176.870 0.002 0.000 1.010 107 L CA -0.699 54.151 54.840 0.016 0.000 0.818 107 L CB 1.049 43.111 42.059 0.006 0.000 1.306 107 L HN 0.799 nan 8.230 nan 0.000 0.430 108 G N 1.039 109.860 108.800 0.035 0.000 3.137 108 G HA2 0.374 4.335 3.960 0.001 0.000 0.196 108 G HA3 0.374 4.335 3.960 0.001 0.000 0.196 108 G C 0.789 175.694 174.900 0.008 0.000 1.135 108 G CA -0.461 44.652 45.100 0.021 0.000 0.803 108 G HN 0.456 nan 8.290 nan 0.000 0.619 109 I N 1.427 121.996 120.570 -0.002 0.000 2.145 109 I HA -0.182 3.989 4.170 0.001 0.000 0.244 109 I C 2.748 178.815 176.117 -0.085 0.000 1.075 109 I CA 2.255 63.532 61.300 -0.037 0.000 1.332 109 I CB -1.392 36.593 38.000 -0.025 0.000 1.033 109 I HN 0.515 nan 8.210 nan 0.000 0.410 110 G N 0.055 108.820 108.800 -0.058 0.000 2.848 110 G HA2 -0.017 3.943 3.960 0.001 0.000 0.208 110 G HA3 -0.017 3.943 3.960 0.001 0.000 0.208 110 G C 0.557 175.324 174.900 -0.221 0.000 1.152 110 G CA 0.264 45.293 45.100 -0.119 0.000 0.789 110 G HN 0.352 nan 8.290 nan 0.000 0.531 111 T N 0.076 114.563 114.554 -0.111 0.000 2.885 111 T HA 0.692 5.043 4.350 0.001 0.000 0.285 111 T C -0.305 174.389 174.700 -0.009 0.000 1.019 111 T CA -0.138 61.947 62.100 -0.024 0.000 1.010 111 T CB 2.064 71.030 68.868 0.163 0.000 1.022 111 T HN 0.262 nan 8.240 nan 0.000 0.466 112 A N 2.248 125.109 122.820 0.069 0.000 2.384 112 A HA 1.010 5.330 4.320 0.001 0.000 0.312 112 A C -1.237 176.465 177.584 0.197 0.000 1.113 112 A CA -0.874 51.154 52.037 -0.015 0.000 0.779 112 A CB 0.967 20.007 19.000 0.066 0.000 1.307 112 A HN 0.902 nan 8.150 nan 0.000 0.436 113 F N -2.394 117.440 119.950 -0.193 0.000 2.693 113 F HA 0.692 5.219 4.527 0.000 0.000 0.309 113 F C 0.518 176.321 175.800 0.005 0.000 1.129 113 F CA -0.273 57.734 58.000 0.012 0.000 0.948 113 F CB 1.277 40.317 39.000 0.067 0.000 1.315 113 F HN 1.662 nan 8.300 nan 0.000 0.447 114 G N 0.883 109.873 108.800 0.317 0.000 2.168 114 G HA2 -0.234 3.726 3.960 0.001 0.000 0.197 114 G HA3 -0.234 3.726 3.960 0.001 0.000 0.197 114 G C 0.615 175.597 174.900 0.137 0.000 0.997 114 G CA 0.097 45.319 45.100 0.203 0.000 0.658 114 G HN 1.096 nan 8.290 nan 0.000 0.513 115 E N 1.407 121.755 120.200 0.248 0.000 2.472 115 E HA -0.073 4.278 4.350 0.001 0.000 0.200 115 E C 2.050 178.415 176.600 -0.392 0.000 1.046 115 E CA 1.405 57.831 56.400 0.045 0.000 0.871 115 E CB -0.511 29.230 29.700 0.069 0.000 0.806 115 E HN 0.937 nan 8.360 nan 0.000 0.533 116 S N 1.733 117.337 115.700 -0.160 0.000 2.500 116 S HA -0.130 4.341 4.470 0.001 0.000 0.239 116 S C 2.179 176.680 174.600 -0.165 0.000 0.989 116 S CA 0.760 58.893 58.200 -0.112 0.000 0.951 116 S CB -1.090 62.165 63.200 0.092 0.000 0.759 116 S HN 0.572 nan 8.310 nan 0.000 0.523 117 I N -1.425 119.046 120.570 -0.166 0.000 2.916 117 I HA 0.029 4.200 4.170 0.001 0.000 0.267 117 I C 1.884 177.950 176.117 -0.085 0.000 1.263 117 I CA 0.820 62.063 61.300 -0.096 0.000 1.471 117 I CB -0.551 37.415 38.000 -0.057 0.000 1.089 117 I HN 0.205 nan 8.210 nan 0.000 0.468 118 L N 1.906 122.978 121.223 -0.253 0.000 2.275 118 L HA -0.109 4.231 4.340 0.001 0.000 0.215 118 L C 1.060 177.932 176.870 0.004 0.000 1.119 118 L CA 1.234 55.929 54.840 -0.241 0.000 0.790 118 L CB -0.473 41.117 42.059 -0.783 0.000 0.919 118 L HN 0.547 nan 8.230 nan 0.000 0.443 119 D N -2.977 117.471 120.400 0.080 0.000 2.720 119 D HA 0.015 4.655 4.640 0.001 0.000 0.285 119 D C -0.144 176.215 176.300 0.098 0.000 1.359 119 D CA -0.544 53.555 54.000 0.165 0.000 0.818 119 D CB -0.434 40.532 40.800 0.277 0.000 1.108 119 D HN -0.054 nan 8.370 nan 0.000 0.474 120 N N -0.064 118.665 118.700 0.048 0.000 2.716 120 N HA -0.159 4.582 4.740 0.001 0.000 0.250 120 N C -0.820 174.695 175.510 0.008 0.000 1.033 120 N CA 1.067 54.129 53.050 0.019 0.000 0.727 120 N CB -2.116 36.387 38.487 0.027 0.000 0.950 120 N HN 0.330 nan 8.380 nan 0.000 0.541 121 T N 1.882 116.438 114.554 0.004 0.000 2.794 121 T HA 0.304 4.655 4.350 0.001 0.000 0.296 121 T C -1.940 172.687 174.700 -0.122 0.000 0.949 121 T CA -0.922 61.157 62.100 -0.035 0.000 1.101 121 T CB 1.199 70.071 68.868 0.006 0.000 0.905 121 T HN 0.053 nan 8.240 nan 0.000 0.516 122 P HA 0.084 nan 4.420 nan 0.000 0.268 122 P C -0.029 177.127 177.300 -0.239 0.000 1.204 122 P CA -0.521 62.500 63.100 -0.132 0.000 0.768 122 P CB 0.519 32.177 31.700 -0.071 0.000 0.842 123 R N 2.654 123.028 120.500 -0.211 0.000 2.494 123 R HA -0.068 4.272 4.340 0.001 0.000 0.291 123 R C 1.587 177.814 176.300 -0.121 0.000 0.953 123 R CA 0.393 56.357 56.100 -0.226 0.000 1.098 123 R CB -0.413 29.765 30.300 -0.203 0.000 0.911 123 R HN 0.589 nan 8.270 nan 0.000 0.407 124 H N 0.195 119.299 119.070 0.057 0.000 2.462 124 H HA 0.083 4.641 4.556 0.002 0.000 0.292 124 H C 0.616 176.010 175.328 0.110 0.000 1.049 124 H CA 1.330 57.427 56.048 0.082 0.000 1.334 124 H CB 0.453 30.265 29.762 0.085 0.000 1.404 124 H HN 0.623 nan 8.280 nan 0.000 0.544 125 A N 0.035 123.015 122.820 0.266 0.000 2.593 125 A HA 0.514 4.834 4.320 0.001 0.000 0.290 125 A C -0.560 177.184 177.584 0.268 0.000 1.126 125 A CA -0.616 51.560 52.037 0.232 0.000 0.695 125 A CB 1.225 20.341 19.000 0.194 0.000 1.290 125 A HN 0.051 nan 8.150 nan 0.000 0.414 126 T N 1.312 115.950 114.554 0.140 0.000 2.767 126 T HA 0.591 4.942 4.350 0.001 0.000 0.284 126 T C -0.502 174.129 174.700 -0.114 0.000 0.973 126 T CA 0.232 62.352 62.100 0.034 0.000 0.996 126 T CB 0.070 68.925 68.868 -0.021 0.000 0.927 126 T HN 0.380 nan 8.240 nan 0.000 0.456 127 I N 3.485 123.846 120.570 -0.349 0.000 2.410 127 I HA 0.516 4.686 4.170 0.001 0.000 0.286 127 I C -0.599 175.230 176.117 -0.480 0.000 1.009 127 I CA -0.993 60.016 61.300 -0.485 0.000 1.111 127 I CB 1.791 39.356 38.000 -0.725 0.000 1.262 127 I HN 0.274 nan 8.210 nan 0.000 0.443 128 V N 5.969 125.685 119.914 -0.329 0.000 2.656 128 V HA 0.502 4.623 4.120 0.001 0.000 0.307 128 V C 0.240 176.201 176.094 -0.221 0.000 1.051 128 V CA -0.312 61.834 62.300 -0.258 0.000 0.893 128 V CB 2.430 34.141 31.823 -0.185 0.000 0.999 128 V HN 0.853 nan 8.190 nan 0.000 0.426 129 T N 3.919 118.357 114.554 -0.193 0.000 2.928 129 T HA 0.226 4.576 4.350 0.001 0.000 0.305 129 T C 0.899 175.530 174.700 -0.115 0.000 1.035 129 T CA 0.213 62.225 62.100 -0.147 0.000 1.145 129 T CB 0.417 69.213 68.868 -0.120 0.000 0.963 129 T HN 0.940 nan 8.240 nan 0.000 0.545 130 R N 1.305 121.747 120.500 -0.098 0.000 2.335 130 R HA 0.315 4.656 4.340 0.001 0.000 0.210 130 R C 0.557 176.823 176.300 -0.057 0.000 0.892 130 R CA -0.375 55.677 56.100 -0.080 0.000 1.048 130 R CB 0.234 30.483 30.300 -0.084 0.000 1.067 130 R HN 0.870 nan 8.270 nan 0.000 0.524 131 E N 0.477 120.648 120.200 -0.049 0.000 2.445 131 E HA 0.288 4.639 4.350 0.001 0.000 0.279 131 E C -1.324 175.258 176.600 -0.030 0.000 1.018 131 E CA -1.028 55.353 56.400 -0.031 0.000 0.816 131 E CB 1.246 30.940 29.700 -0.009 0.000 1.356 131 E HN -0.080 nan 8.360 nan 0.000 0.462 132 S N 1.009 116.697 115.700 -0.019 0.000 2.626 132 S HA 0.148 4.618 4.470 0.001 0.000 0.303 132 S C -0.574 174.022 174.600 -0.007 0.000 1.256 132 S CA 0.166 58.358 58.200 -0.014 0.000 1.069 132 S CB 0.043 63.243 63.200 0.001 0.000 0.807 132 S HN 0.433 nan 8.310 nan 0.000 0.500 133 S N 2.652 118.338 115.700 -0.023 0.000 2.548 133 S HA 0.415 4.886 4.470 0.001 0.000 0.286 133 S C -0.766 173.810 174.600 -0.041 0.000 1.098 133 S CA -1.020 57.166 58.200 -0.025 0.000 0.930 133 S CB 1.761 64.934 63.200 -0.046 0.000 1.070 133 S HN 0.708 nan 8.310 nan 0.000 0.480 134 E N 1.694 121.879 120.200 -0.026 0.000 2.176 134 E HA 0.568 4.919 4.350 0.001 0.000 0.267 134 E C -1.217 175.339 176.600 -0.075 0.000 0.893 134 E CA -0.457 55.894 56.400 -0.082 0.000 0.761 134 E CB 1.489 31.226 29.700 0.062 0.000 1.133 134 E HN 0.373 nan 8.360 nan 0.000 0.409 135 L N 3.026 124.153 121.223 -0.159 0.000 2.341 135 L HA 0.574 4.915 4.340 0.001 0.000 0.267 135 L C -0.796 176.055 176.870 -0.031 0.000 1.009 135 L CA -1.111 53.696 54.840 -0.055 0.000 0.819 135 L CB 1.713 43.780 42.059 0.013 0.000 1.323 135 L HN 0.375 nan 8.230 nan 0.000 0.425 136 L N 2.840 124.092 121.223 0.048 0.000 2.307 136 L HA 0.632 4.973 4.340 0.001 0.000 0.284 136 L C -0.524 176.355 176.870 0.015 0.000 1.023 136 L CA -0.301 54.607 54.840 0.115 0.000 0.810 136 L CB 1.082 43.270 42.059 0.217 0.000 1.231 136 L HN 0.705 nan 8.230 nan 0.000 0.423 137 R N 4.584 125.108 120.500 0.040 0.000 2.750 137 R HA 0.762 5.102 4.340 0.001 0.000 0.281 137 R C -1.632 174.695 176.300 0.046 0.000 0.972 137 R CA -0.832 55.181 56.100 -0.146 0.000 0.912 137 R CB 1.726 31.831 30.300 -0.324 0.000 1.187 137 R HN 0.551 nan 8.270 nan 0.000 0.464 138 I N 1.714 122.289 120.570 0.008 0.000 2.465 138 I HA 0.265 4.436 4.170 0.001 0.000 0.291 138 I C -0.090 176.054 176.117 0.045 0.000 1.014 138 I CA -0.988 60.401 61.300 0.148 0.000 1.093 138 I CB 2.310 40.485 38.000 0.292 0.000 1.267 138 I HN 0.650 nan 8.210 nan 0.000 0.431 139 E N 3.746 124.026 120.200 0.134 0.000 2.390 139 E HA 0.028 4.379 4.350 0.001 0.000 0.261 139 E C 0.629 177.299 176.600 0.116 0.000 1.076 139 E CA -0.103 56.347 56.400 0.085 0.000 0.905 139 E CB 0.924 30.696 29.700 0.120 0.000 0.984 139 E HN 0.530 nan 8.360 nan 0.000 0.427 140 Q N 1.443 121.291 119.800 0.080 0.000 2.096 140 Q HA -0.283 4.058 4.340 0.001 0.000 0.208 140 Q C 1.410 177.498 176.000 0.147 0.000 0.993 140 Q CA 1.578 57.449 55.803 0.112 0.000 0.862 140 Q CB 0.192 28.967 28.738 0.061 0.000 0.915 140 Q HN 0.469 nan 8.270 nan 0.000 0.416 141 E N 0.393 120.663 120.200 0.116 0.000 2.072 141 E HA -0.138 4.213 4.350 0.001 0.000 0.190 141 E C 1.665 178.337 176.600 0.121 0.000 0.982 141 E CA 1.089 57.552 56.400 0.105 0.000 0.803 141 E CB -0.132 29.617 29.700 0.082 0.000 0.755 141 E HN 0.434 nan 8.360 nan 0.000 0.453 142 D N -0.055 120.433 120.400 0.146 0.000 2.178 142 D HA -0.135 4.505 4.640 0.001 0.000 0.201 142 D C 1.619 178.033 176.300 0.190 0.000 0.980 142 D CA 0.583 54.676 54.000 0.155 0.000 0.842 142 D CB -0.297 40.603 40.800 0.166 0.000 0.948 142 D HN 0.102 nan 8.370 nan 0.000 0.472 143 F N 1.357 121.326 119.950 0.032 0.000 2.187 143 F HA 0.035 4.564 4.527 0.002 0.000 0.295 143 F C 2.006 177.818 175.800 0.021 0.000 1.091 143 F CA 1.044 59.031 58.000 -0.022 0.000 1.308 143 F CB 0.050 39.004 39.000 -0.076 0.000 1.030 143 F HN -0.226 nan 8.300 nan 0.000 0.487 144 K N -0.039 120.400 120.400 0.065 0.000 2.063 144 K HA -0.155 4.166 4.320 0.001 0.000 0.208 144 K C 2.245 178.882 176.600 0.062 0.000 1.048 144 K CA 1.272 57.597 56.287 0.063 0.000 0.928 144 K CB -0.488 32.076 32.500 0.107 0.000 0.713 144 K HN 0.308 nan 8.250 nan 0.000 0.442 145 A N 0.945 123.795 122.820 0.051 0.000 1.930 145 A HA -0.140 4.180 4.320 0.001 0.000 0.217 145 A C 2.053 179.656 177.584 0.031 0.000 1.175 145 A CA 1.135 53.193 52.037 0.034 0.000 0.627 145 A CB -0.432 18.596 19.000 0.047 0.000 0.815 145 A HN 0.191 nan 8.150 nan 0.000 0.443 146 L N -2.229 119.020 121.223 0.042 0.000 2.141 146 L HA -0.096 4.245 4.340 0.001 0.000 0.209 146 L C 2.174 179.107 176.870 0.104 0.000 1.094 146 L CA 1.486 56.389 54.840 0.105 0.000 0.763 146 L CB -0.345 41.741 42.059 0.045 0.000 0.908 146 L HN 0.705 nan 8.230 nan 0.000 0.437 147 W N 0.311 121.441 121.300 -0.283 0.000 2.418 147 W HA -0.099 4.562 4.660 0.001 0.000 0.292 147 W C 2.334 178.761 176.519 -0.153 0.000 1.213 147 W CA 1.027 58.199 57.345 -0.287 0.000 1.283 147 W CB 0.012 29.212 29.460 -0.432 0.000 1.119 147 W HN 0.096 nan 8.180 nan 0.000 0.542 148 E N 0.164 120.271 120.200 -0.154 0.000 2.077 148 E HA -0.227 4.124 4.350 0.001 0.000 0.193 148 E C 1.928 178.371 176.600 -0.262 0.000 0.989 148 E CA 1.366 57.602 56.400 -0.272 0.000 0.800 148 E CB -0.394 29.207 29.700 -0.164 0.000 0.746 148 E HN 0.339 nan 8.360 nan 0.000 0.452 149 K N -0.371 119.893 120.400 -0.227 0.000 2.137 149 K HA -0.066 4.255 4.320 0.001 0.000 0.202 149 K C 0.606 176.894 176.600 -0.519 0.000 1.052 149 K CA 0.718 56.756 56.287 -0.415 0.000 0.961 149 K CB 0.228 32.395 32.500 -0.555 0.000 0.741 149 K HN 0.088 nan 8.250 nan 0.000 0.452 150 Y N -0.197 120.090 120.300 -0.021 0.000 2.716 150 Y HA 0.273 4.823 4.550 0.001 0.000 0.260 150 Y C 1.323 177.228 175.900 0.010 0.000 1.141 150 Y CA -0.561 57.590 58.100 0.085 0.000 1.168 150 Y CB 0.454 39.009 38.460 0.159 0.000 1.189 150 Y HN -0.044 nan 8.280 nan 0.000 0.549 151 R N 1.553 122.008 120.500 -0.075 0.000 2.103 151 R HA -0.277 4.064 4.340 0.001 0.000 0.242 151 R C 2.106 178.345 176.300 -0.101 0.000 1.142 151 R CA 2.560 58.549 56.100 -0.184 0.000 0.960 151 R CB 0.014 30.029 30.300 -0.475 0.000 0.858 151 R HN 0.644 nan 8.270 nan 0.000 0.439 152 Q N -1.194 118.479 119.800 -0.213 0.000 2.135 152 Q HA -0.221 4.120 4.340 0.001 0.000 0.204 152 Q C 1.224 177.048 176.000 -0.294 0.000 0.981 152 Q CA 1.847 57.460 55.803 -0.317 0.000 0.856 152 Q CB -0.452 27.975 28.738 -0.518 0.000 0.902 152 Q HN 0.558 nan 8.270 nan 0.000 0.425 153 Y N -0.240 120.050 120.300 -0.017 0.000 2.511 153 Y HA 0.229 4.780 4.550 0.001 0.000 0.279 153 Y C 1.699 177.577 175.900 -0.035 0.000 1.157 153 Y CA 0.223 58.311 58.100 -0.021 0.000 1.300 153 Y CB 0.346 38.794 38.460 -0.021 0.000 1.052 153 Y HN 0.079 nan 8.280 nan 0.000 0.529 154 M N -1.215 118.454 119.600 0.115 0.000 2.333 154 M HA 0.221 4.702 4.480 0.001 0.000 0.257 154 M C 2.135 178.492 176.300 0.095 0.000 1.078 154 M CA 0.157 55.499 55.300 0.071 0.000 1.005 154 M CB 0.343 33.024 32.600 0.136 0.000 1.444 154 M HN 0.275 nan 8.290 nan 0.000 0.496 155 A N 0.968 123.844 122.820 0.093 0.000 1.883 155 A HA -0.093 4.228 4.320 0.001 0.000 0.217 155 A C 2.224 179.857 177.584 0.082 0.000 1.186 155 A CA 2.221 54.316 52.037 0.097 0.000 0.624 155 A CB -1.324 17.707 19.000 0.052 0.000 0.822 155 A HN 0.536 nan 8.150 nan 0.000 0.444 156 G N -0.770 108.066 108.800 0.060 0.000 2.511 156 G HA2 0.074 4.035 3.960 0.001 0.000 0.217 156 G HA3 0.074 4.035 3.960 0.001 0.000 0.217 156 G C 1.439 176.391 174.900 0.087 0.000 1.133 156 G CA 0.814 45.953 45.100 0.065 0.000 0.792 156 G HN 0.452 nan 8.290 nan 0.000 0.539 157 L N -0.454 120.803 121.223 0.057 0.000 2.209 157 L HA 0.318 4.659 4.340 0.001 0.000 0.207 157 L C 0.854 177.826 176.870 0.170 0.000 1.094 157 L CA 0.170 55.054 54.840 0.075 0.000 0.790 157 L CB -0.284 41.700 42.059 -0.125 0.000 0.932 157 L HN 0.041 nan 8.230 nan 0.000 0.447 158 L N -0.069 121.242 121.223 0.147 0.000 2.331 158 L HA 0.600 4.940 4.340 0.001 0.000 0.275 158 L C 0.364 177.347 176.870 0.188 0.000 1.022 158 L CA -0.800 54.150 54.840 0.184 0.000 0.812 158 L CB 1.457 43.584 42.059 0.114 0.000 1.257 158 L HN -0.076 nan 8.230 nan 0.000 0.435 159 A N 3.424 126.379 122.820 0.225 0.000 2.425 159 A HA 0.485 4.806 4.320 0.001 0.000 0.242 159 A C -2.290 175.384 177.584 0.151 0.000 1.077 159 A CA -1.047 51.096 52.037 0.177 0.000 0.781 159 A CB -0.445 18.668 19.000 0.188 0.000 1.020 159 A HN 0.438 nan 8.150 nan 0.000 0.494 160 P HA 0.159 nan 4.420 nan 0.000 0.272 160 P C -2.190 174.965 177.300 -0.241 0.000 1.223 160 P CA -1.180 61.877 63.100 -0.071 0.000 0.784 160 P CB 0.272 31.937 31.700 -0.057 0.000 0.923 161 P HA -0.026 nan 4.420 nan 0.000 0.245 161 P C 0.812 177.971 177.300 -0.235 0.000 1.212 161 P CA 0.869 63.766 63.100 -0.337 0.000 0.774 161 P CB -0.132 31.364 31.700 -0.340 0.000 0.999 162 Y N 0.342 120.673 120.300 0.051 0.000 2.263 162 Y HA 0.135 4.686 4.550 0.002 0.000 0.292 162 Y C 2.035 178.058 175.900 0.205 0.000 1.130 162 Y CA 0.741 58.868 58.100 0.044 0.000 1.179 162 Y CB -0.830 37.403 38.460 -0.378 0.000 0.998 162 Y HN -0.018 nan 8.280 nan 0.000 0.532 163 G N -0.341 108.597 108.800 0.230 0.000 3.209 163 G HA2 0.521 4.482 3.960 0.001 0.000 0.236 163 G HA3 0.521 4.482 3.960 0.001 0.000 0.236 163 G C -1.024 173.934 174.900 0.096 0.000 1.329 163 G CA -0.283 44.924 45.100 0.179 0.000 1.015 163 G HN 0.030 nan 8.290 nan 0.000 0.571 164 V N -2.010 117.947 119.914 0.072 0.000 2.743 164 V HA 0.559 4.679 4.120 0.001 0.000 0.301 164 V C 1.391 177.498 176.094 0.023 0.000 1.057 164 V CA -0.294 62.028 62.300 0.036 0.000 1.006 164 V CB 1.576 33.415 31.823 0.027 0.000 1.024 164 V HN 0.732 nan 8.190 nan 0.000 0.473 165 M N 1.167 120.767 119.600 0.000 0.000 2.123 165 M HA 0.168 4.649 4.480 0.001 0.000 0.263 165 M C 0.892 177.181 176.300 -0.017 0.000 1.069 165 M CA 1.581 56.871 55.300 -0.016 0.000 1.133 165 M CB -0.222 32.359 32.600 -0.031 0.000 1.356 165 M HN 0.936 nan 8.290 nan 0.000 0.415 166 E N -1.054 119.139 120.200 -0.011 0.000 2.187 166 E HA 0.190 4.540 4.350 0.001 0.000 0.268 166 E C -0.307 176.295 176.600 0.003 0.000 0.896 166 E CA -0.120 56.274 56.400 -0.011 0.000 0.766 166 E CB 1.511 31.202 29.700 -0.015 0.000 1.142 166 E HN 0.140 nan 8.360 nan 0.000 0.408 167 T N 2.472 117.030 114.554 0.007 0.000 3.043 167 T HA 0.035 4.386 4.350 0.001 0.000 0.263 167 T C 1.385 176.095 174.700 0.016 0.000 1.094 167 T CA 0.927 63.039 62.100 0.019 0.000 1.127 167 T CB 0.038 68.924 68.868 0.030 0.000 0.905 167 T HN 0.659 nan 8.240 nan 0.000 0.490 168 G N 0.683 109.488 108.800 0.009 0.000 2.498 168 G HA2 -0.087 3.874 3.960 0.001 0.000 0.219 168 G HA3 -0.087 3.874 3.960 0.001 0.000 0.219 168 G C 0.722 175.627 174.900 0.010 0.000 1.119 168 G CA 0.944 46.050 45.100 0.010 0.000 0.766 168 G HN 0.491 nan 8.290 nan 0.000 0.552 169 S N -0.940 114.764 115.700 0.007 0.000 3.631 169 S HA -0.212 4.259 4.470 0.001 0.000 0.366 169 S C 0.269 174.871 174.600 0.004 0.000 0.993 169 S CA 1.399 59.602 58.200 0.005 0.000 1.167 169 S CB -1.755 61.449 63.200 0.007 0.000 0.909 169 S HN 1.283 nan 8.310 nan 0.000 0.478 180 V N 2.540 122.476 119.914 0.036 0.000 2.349 180 V HA 0.598 4.719 4.120 0.001 0.000 0.284 180 V C -2.205 173.913 176.094 0.039 0.000 1.014 180 V CA -1.068 61.253 62.300 0.035 0.000 0.826 180 V CB 1.301 33.143 31.823 0.031 0.000 1.009 180 V HN 0.081 nan 8.190 nan 0.000 0.431 181 P HA 0.405 nan 4.420 nan 0.000 0.291 181 P C -0.046 177.275 177.300 0.035 0.000 1.378 181 P CA -0.295 62.829 63.100 0.039 0.000 0.853 181 P CB 0.950 32.674 31.700 0.040 0.000 1.002 182 S N 2.471 118.192 115.700 0.034 0.000 2.561 182 S HA -0.068 4.402 4.470 0.001 0.000 0.294 182 S C 1.313 175.929 174.600 0.026 0.000 1.294 182 S CA -0.049 58.168 58.200 0.029 0.000 1.055 182 S CB 0.469 63.685 63.200 0.026 0.000 0.819 182 S HN 0.427 nan 8.310 nan 0.000 0.503 183 E N 2.888 123.102 120.200 0.023 0.000 2.051 183 E HA -0.218 4.133 4.350 0.001 0.000 0.192 183 E C 1.949 178.559 176.600 0.018 0.000 0.991 183 E CA 1.531 57.944 56.400 0.021 0.000 0.799 183 E CB -0.174 29.537 29.700 0.019 0.000 0.748 183 E HN 0.830 nan 8.360 nan 0.000 0.449 184 K N 0.752 121.160 120.400 0.013 0.000 2.167 184 K HA 0.024 4.345 4.320 0.001 0.000 0.203 184 K C 2.044 178.649 176.600 0.009 0.000 1.052 184 K CA 1.118 57.410 56.287 0.007 0.000 0.956 184 K CB -0.144 32.356 32.500 0.000 0.000 0.735 184 K HN 0.107 nan 8.250 nan 0.000 0.451 185 I N 1.262 121.841 120.570 0.014 0.000 2.353 185 I HA -0.177 3.994 4.170 0.001 0.000 0.248 185 I C 2.350 178.489 176.117 0.037 0.000 1.119 185 I CA 0.407 61.718 61.300 0.019 0.000 1.417 185 I CB -0.155 37.856 38.000 0.019 0.000 1.078 185 I HN 0.098 nan 8.210 nan 0.000 0.421 186 L N 1.086 122.332 121.223 0.038 0.000 2.042 186 L HA -0.216 4.125 4.340 0.001 0.000 0.210 186 L C 2.602 179.499 176.870 0.045 0.000 1.076 186 L CA 1.828 56.697 54.840 0.048 0.000 0.749 186 L CB -0.430 41.652 42.059 0.039 0.000 0.893 186 L HN 0.051 nan 8.230 nan 0.000 0.432 187 R N -0.364 120.154 120.500 0.030 0.000 2.073 187 R HA 0.000 4.341 4.340 0.001 0.000 0.229 187 R C 2.209 178.523 176.300 0.023 0.000 1.120 187 R CA 1.373 57.485 56.100 0.021 0.000 0.967 187 R CB -0.667 29.639 30.300 0.010 0.000 0.862 187 R HN 0.487 nan 8.270 nan 0.000 0.436 188 A N -0.277 122.557 122.820 0.024 0.000 1.883 188 A HA -0.098 4.223 4.320 0.001 0.000 0.217 188 A C 2.354 179.977 177.584 0.064 0.000 1.186 188 A CA 1.849 53.899 52.037 0.022 0.000 0.624 188 A CB -1.492 17.509 19.000 0.001 0.000 0.822 188 A HN 0.531 nan 8.150 nan 0.000 0.444 189 G N -0.877 107.989 108.800 0.110 0.000 2.422 189 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 189 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 189 G C 1.638 176.630 174.900 0.153 0.000 1.140 189 G CA 1.131 46.372 45.100 0.234 0.000 0.775 189 G HN 0.548 nan 8.290 nan 0.000 0.545 190 K N 0.062 120.500 120.400 0.063 0.000 2.062 190 K HA 0.013 4.333 4.320 0.001 0.000 0.205 190 K C 2.375 178.942 176.600 -0.055 0.000 1.051 190 K CA 0.557 56.837 56.287 -0.011 0.000 0.941 190 K CB -0.149 32.352 32.500 0.002 0.000 0.719 190 K HN 0.163 nan 8.250 nan 0.000 0.440 191 I N 1.609 122.168 120.570 -0.017 0.000 2.179 191 I HA -0.253 3.918 4.170 0.001 0.000 0.242 191 I C 2.322 178.429 176.117 -0.015 0.000 1.088 191 I CA 0.964 62.255 61.300 -0.015 0.000 1.357 191 I CB -0.933 37.069 38.000 0.004 0.000 1.051 191 I HN 0.158 nan 8.210 nan 0.000 0.409 192 L N 0.418 121.650 121.223 0.015 0.000 2.083 192 L HA -0.160 4.181 4.340 0.001 0.000 0.209 192 L C 2.703 179.454 176.870 -0.199 0.000 1.083 192 L CA 1.593 56.466 54.840 0.055 0.000 0.752 192 L CB -0.939 41.241 42.059 0.202 0.000 0.899 192 L HN 0.196 nan 8.230 nan 0.000 0.433 193 R N -0.346 119.890 120.500 -0.440 0.000 2.092 193 R HA -0.126 4.215 4.340 0.001 0.000 0.231 193 R C 2.306 178.361 176.300 -0.409 0.000 1.119 193 R CA 1.286 56.922 56.100 -0.774 0.000 0.970 193 R CB -0.207 29.477 30.300 -1.027 0.000 0.864 193 R HN 0.315 nan 8.270 nan 0.000 0.440 194 I N 0.650 121.080 120.570 -0.235 0.000 2.179 194 I HA -0.246 3.925 4.170 0.001 0.000 0.242 194 I C 2.591 178.653 176.117 -0.092 0.000 1.088 194 I CA 1.299 62.518 61.300 -0.136 0.000 1.357 194 I CB -0.440 37.514 38.000 -0.077 0.000 1.051 194 I HN 0.253 nan 8.210 nan 0.000 0.409 195 A N 1.146 123.942 122.820 -0.039 0.000 1.908 195 A HA -0.207 4.114 4.320 0.001 0.000 0.218 195 A C 2.310 179.923 177.584 0.048 0.000 1.181 195 A CA 1.716 53.808 52.037 0.092 0.000 0.627 195 A CB -0.900 18.275 19.000 0.291 0.000 0.818 195 A HN 0.395 nan 8.150 nan 0.000 0.445 196 I N -0.672 119.751 120.570 -0.244 0.000 2.142 196 I HA -0.264 3.907 4.170 0.001 0.000 0.240 196 I C 2.427 178.402 176.117 -0.238 0.000 1.078 196 I CA 1.271 62.300 61.300 -0.452 0.000 1.343 196 I CB -0.380 37.190 38.000 -0.716 0.000 1.046 196 I HN 0.279 nan 8.210 nan 0.000 0.405 197 L N -0.063 121.034 121.223 -0.210 0.000 2.083 197 L HA -0.214 4.127 4.340 0.001 0.000 0.209 197 L C 2.666 179.497 176.870 -0.064 0.000 1.083 197 L CA 1.280 56.038 54.840 -0.137 0.000 0.752 197 L CB -0.469 41.509 42.059 -0.135 0.000 0.899 197 L HN 0.193 nan 8.230 nan 0.000 0.433 198 S N -0.497 115.181 115.700 -0.037 0.000 2.355 198 S HA -0.117 4.354 4.470 0.001 0.000 0.222 198 S C 2.031 176.654 174.600 0.040 0.000 1.031 198 S CA 1.208 59.410 58.200 0.005 0.000 0.993 198 S CB -0.114 63.095 63.200 0.015 0.000 0.859 198 S HN 0.394 nan 8.310 nan 0.000 0.453 199 R N 0.557 121.103 120.500 0.077 0.000 2.156 199 R HA 0.354 4.695 4.340 0.001 0.000 0.207 199 R C 0.519 176.914 176.300 0.157 0.000 1.040 199 R CA 0.763 56.945 56.100 0.138 0.000 1.013 199 R CB 0.232 30.669 30.300 0.229 0.000 0.931 199 R HN 0.254 nan 8.270 nan 0.000 0.465 200 A N 1.182 124.056 122.820 0.090 0.000 3.410 200 A HA 0.293 4.614 4.320 0.001 0.000 0.276 200 A C -2.191 175.291 177.584 -0.170 0.000 0.995 200 A CA -1.034 51.028 52.037 0.041 0.000 0.934 200 A CB 0.623 19.648 19.000 0.042 0.000 1.191 200 A HN -0.076 nan 8.150 nan 0.000 0.511 201 P HA -0.244 nan 4.420 nan 0.000 0.219 201 P C 1.239 178.491 177.300 -0.081 0.000 1.146 201 P CA 1.586 64.644 63.100 -0.069 0.000 0.808 201 P CB -0.358 31.342 31.700 -0.000 0.000 0.779 202 H N -1.001 118.065 119.070 -0.007 0.000 2.518 202 H HA 0.014 4.570 4.556 0.001 0.000 0.292 202 H C 1.657 176.980 175.328 -0.008 0.000 1.068 202 H CA 0.799 56.848 56.048 0.001 0.000 1.275 202 H CB -1.065 28.710 29.762 0.022 0.000 1.375 202 H HN 0.162 nan 8.280 nan 0.000 0.563 203 M N 0.781 120.058 119.600 -0.538 0.000 2.254 203 M HA 0.081 4.562 4.480 0.001 0.000 0.265 203 M C 0.613 176.813 176.300 -0.167 0.000 1.066 203 M CA 1.071 56.160 55.300 -0.352 0.000 1.123 203 M CB 0.257 32.597 32.600 -0.433 0.000 1.388 203 M HN 0.084 nan 8.290 nan 0.000 0.425 204 I N 1.851 122.332 120.570 -0.149 0.000 2.337 204 I HA 0.269 4.440 4.170 0.001 0.000 0.285 204 I C -0.073 176.004 176.117 -0.065 0.000 1.041 204 I CA -0.423 60.826 61.300 -0.086 0.000 1.199 204 I CB 0.317 38.266 38.000 -0.085 0.000 1.370 204 I HN 0.229 nan 8.210 nan 0.000 0.470 205 R N 2.429 122.889 120.500 -0.066 0.000 2.747 205 R HA 0.517 4.857 4.340 0.001 0.000 0.272 205 R C -1.788 174.459 176.300 -0.088 0.000 1.032 205 R CA -1.096 54.970 56.100 -0.056 0.000 0.896 205 R CB 0.823 31.106 30.300 -0.028 0.000 1.253 205 R HN 0.063 nan 8.270 nan 0.000 0.461 206 D N 1.124 121.482 120.400 -0.071 0.000 2.383 206 D HA 0.244 4.885 4.640 0.001 0.000 0.252 206 D C -0.445 175.790 176.300 -0.109 0.000 1.166 206 D CA 0.091 54.039 54.000 -0.086 0.000 0.879 206 D CB 0.730 41.499 40.800 -0.051 0.000 1.164 206 D HN 0.288 nan 8.370 nan 0.000 0.462 207 R N 1.837 122.221 120.500 -0.194 0.000 2.750 207 R HA 0.601 4.941 4.340 0.001 0.000 0.281 207 R C -0.270 175.981 176.300 -0.082 0.000 0.972 207 R CA -1.161 54.804 56.100 -0.225 0.000 0.912 207 R CB 2.104 32.044 30.300 -0.599 0.000 1.187 207 R HN 0.370 nan 8.270 nan 0.000 0.464 208 K N 1.093 121.548 120.400 0.092 0.000 2.375 208 K HA 0.516 4.836 4.320 0.001 0.000 0.249 208 K C -1.636 175.245 176.600 0.469 0.000 0.942 208 K CA -0.900 55.541 56.287 0.257 0.000 0.806 208 K CB 2.455 35.039 32.500 0.141 0.000 1.227 208 K HN 0.680 nan 8.250 nan 0.000 0.430 209 Y N 0.749 121.306 120.300 0.427 0.000 2.480 209 Y HA 0.199 4.750 4.550 0.001 0.000 0.329 209 Y C -1.244 174.921 175.900 0.443 0.000 1.127 209 Y CA -0.449 57.925 58.100 0.457 0.000 1.037 209 Y CB 1.239 40.005 38.460 0.511 0.000 1.320 209 Y HN 0.938 nan 8.280 nan 0.000 0.446 210 H N 6.406 125.170 119.070 -0.510 0.000 2.496 210 H HA -0.200 4.357 4.556 0.001 0.000 0.323 210 H C 0.729 175.988 175.328 -0.115 0.000 1.054 210 H CA 1.402 57.200 56.048 -0.417 0.000 1.095 210 H CB -1.032 28.374 29.762 -0.593 0.000 1.595 210 H HN 0.869 nan 8.280 nan 0.000 0.388 211 L N -3.403 117.819 121.223 -0.000 0.000 4.988 211 L HA -0.378 3.962 4.340 0.001 0.000 0.439 211 L C 0.895 177.764 176.870 -0.001 0.000 1.080 211 L CA 1.758 56.594 54.840 -0.007 0.000 1.018 211 L CB -0.732 41.305 42.059 -0.037 0.000 1.945 211 L HN 0.409 nan 8.230 nan 0.000 0.782 212 K N 0.317 120.735 120.400 0.031 0.000 2.138 212 K HA 0.505 4.826 4.320 0.001 0.000 0.263 212 K C 0.198 176.712 176.600 -0.143 0.000 0.965 212 K CA -0.195 56.024 56.287 -0.113 0.000 0.868 212 K CB 1.990 34.359 32.500 -0.219 0.000 1.083 212 K HN -0.073 nan 8.250 nan 0.000 0.443 213 T N 2.700 117.103 114.554 -0.252 0.000 2.772 213 T HA 0.391 4.742 4.350 0.001 0.000 0.288 213 T C -1.221 173.296 174.700 -0.306 0.000 0.994 213 T CA -0.546 61.453 62.100 -0.167 0.000 0.951 213 T CB 0.064 68.885 68.868 -0.079 0.000 0.933 213 T HN 0.277 nan 8.240 nan 0.000 0.447 214 Y N 3.527 123.776 120.300 -0.085 0.000 2.342 214 Y HA 0.515 5.066 4.550 0.001 0.000 0.334 214 Y C 1.203 176.994 175.900 -0.182 0.000 1.067 214 Y CA -1.109 56.909 58.100 -0.137 0.000 1.128 214 Y CB 1.002 39.343 38.460 -0.198 0.000 1.200 214 Y HN 0.563 nan 8.280 nan 0.000 0.464 215 R N 0.534 121.034 120.500 0.000 0.000 3.074 215 R HA 0.090 4.431 4.340 0.001 0.000 0.193 215 R C 0.004 176.269 176.300 -0.059 0.000 0.992 215 R CA -0.473 55.606 56.100 -0.035 0.000 1.177 215 R CB 0.221 30.507 30.300 -0.023 0.000 0.860 215 R HN 0.657 nan 8.270 nan 0.000 0.490 216 Q N 1.154 120.929 119.800 -0.041 0.000 2.514 216 Q HA 0.012 4.353 4.340 0.001 0.000 0.243 216 Q C -0.296 175.683 176.000 -0.035 0.000 1.339 216 Q CA 0.265 56.044 55.803 -0.039 0.000 0.879 216 Q CB -0.626 28.102 28.738 -0.017 0.000 1.625 216 Q HN 0.397 nan 8.270 nan 0.000 0.542 217 C N -1.029 118.221 119.300 -0.085 0.000 3.044 217 C HA 0.802 5.263 4.460 0.001 0.000 0.315 217 C C 0.224 175.162 174.990 -0.087 0.000 1.320 217 C CA -1.122 57.847 59.018 -0.082 0.000 1.582 217 C CB 1.267 28.925 27.740 -0.138 0.000 2.039 217 C HN 0.671 nan 8.230 nan 0.000 0.466 218 C N 0.611 119.893 119.300 -0.030 0.000 2.486 218 C HA 0.839 5.300 4.460 0.001 0.000 0.348 218 C C 0.017 175.044 174.990 0.062 0.000 1.203 218 C CA -0.385 58.626 59.018 -0.013 0.000 1.911 218 C CB 1.284 29.001 27.740 -0.039 0.000 2.340 218 C HN 0.810 nan 8.230 nan 0.000 0.511 219 V N 1.902 121.847 119.914 0.051 0.000 2.435 219 V HA 0.456 4.577 4.120 0.001 0.000 0.290 219 V C 1.284 177.399 176.094 0.036 0.000 1.030 219 V CA 0.427 62.758 62.300 0.052 0.000 0.881 219 V CB 1.103 32.957 31.823 0.051 0.000 0.983 219 V HN 1.183 nan 8.190 nan 0.000 0.445 220 G N 3.285 112.102 108.800 0.030 0.000 2.553 220 G HA2 -0.315 3.645 3.960 0.001 0.000 0.218 220 G HA3 -0.315 3.645 3.960 0.001 0.000 0.218 220 G C 1.636 176.511 174.900 -0.042 0.000 1.195 220 G CA 1.882 46.908 45.100 -0.122 0.000 0.779 220 G HN 0.853 nan 8.290 nan 0.000 0.577 221 T N -1.048 113.511 114.554 0.008 0.000 2.759 221 T HA -0.126 4.224 4.350 0.001 0.000 0.269 221 T C 2.049 176.825 174.700 0.127 0.000 1.042 221 T CA 1.881 64.029 62.100 0.080 0.000 1.140 221 T CB -0.299 68.626 68.868 0.096 0.000 0.864 221 T HN 0.495 nan 8.240 nan 0.000 0.455 222 E N 0.655 120.927 120.200 0.119 0.000 2.106 222 E HA -0.012 4.339 4.350 0.001 0.000 0.192 222 E C 2.194 178.899 176.600 0.174 0.000 0.984 222 E CA 0.667 57.157 56.400 0.151 0.000 0.806 222 E CB -0.273 29.506 29.700 0.131 0.000 0.750 222 E HN 0.549 nan 8.360 nan 0.000 0.458 223 L N 0.017 121.277 121.223 0.063 0.000 2.046 223 L HA -0.187 4.153 4.340 0.001 0.000 0.208 223 L C 2.419 179.525 176.870 0.393 0.000 1.077 223 L CA 0.711 55.551 54.840 -0.000 0.000 0.747 223 L CB -0.294 41.344 42.059 -0.702 0.000 0.896 223 L HN 0.109 nan 8.230 nan 0.000 0.432 224 V N -0.418 119.697 119.914 0.335 0.000 2.295 224 V HA -0.290 3.831 4.120 0.001 0.000 0.246 224 V C 2.134 178.426 176.094 0.330 0.000 1.049 224 V CA 1.856 64.406 62.300 0.418 0.000 1.024 224 V CB -0.557 31.456 31.823 0.316 0.000 0.648 224 V HN 0.420 nan 8.190 nan 0.000 0.447 225 D N -1.084 119.480 120.400 0.273 0.000 2.106 225 D HA -0.242 4.398 4.640 0.001 0.000 0.191 225 D C 1.700 178.162 176.300 0.269 0.000 0.997 225 D CA 1.702 55.842 54.000 0.233 0.000 0.834 225 D CB -0.342 40.588 40.800 0.217 0.000 0.956 225 D HN 0.639 nan 8.370 nan 0.000 0.448 226 W N 1.149 122.550 121.300 0.169 0.000 2.355 226 W HA -0.131 4.529 4.660 0.001 0.000 0.309 226 W C 2.464 179.084 176.519 0.168 0.000 1.206 226 W CA 1.557 59.002 57.345 0.166 0.000 1.284 226 W CB -0.451 29.118 29.460 0.181 0.000 1.145 226 W HN -0.106 nan 8.180 nan 0.000 0.502 227 M N -0.029 119.809 119.600 0.398 0.000 2.108 227 M HA -0.231 4.250 4.480 0.001 0.000 0.261 227 M C 1.896 178.131 176.300 -0.109 0.000 1.066 227 M CA 2.108 57.465 55.300 0.094 0.000 1.107 227 M CB -0.485 32.272 32.600 0.261 0.000 1.356 227 M HN 0.113 nan 8.290 nan 0.000 0.406 228 I N 0.463 121.028 120.570 -0.008 0.000 2.179 228 I HA -0.353 3.818 4.170 0.001 0.000 0.242 228 I C 2.644 178.691 176.117 -0.117 0.000 1.088 228 I CA 1.825 63.093 61.300 -0.052 0.000 1.357 228 I CB -0.643 37.368 38.000 0.019 0.000 1.051 228 I HN 0.499 nan 8.210 nan 0.000 0.409 229 Q N 0.305 120.029 119.800 -0.126 0.000 2.230 229 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 229 Q C 1.667 177.519 176.000 -0.246 0.000 0.963 229 Q CA 0.952 56.667 55.803 -0.147 0.000 0.866 229 Q CB -0.168 28.515 28.738 -0.092 0.000 0.931 229 Q HN 0.480 nan 8.270 nan 0.000 0.452 230 Q N 0.240 119.790 119.800 -0.418 0.000 2.360 230 Q HA 0.175 4.516 4.340 0.001 0.000 0.202 230 Q C 0.031 175.827 176.000 -0.339 0.000 0.915 230 Q CA 0.539 56.042 55.803 -0.501 0.000 0.943 230 Q CB 1.364 29.496 28.738 -1.011 0.000 1.064 230 Q HN 0.297 nan 8.270 nan 0.000 0.511 231 T N -1.284 113.112 114.554 -0.264 0.000 2.821 231 T HA 0.254 4.605 4.350 0.001 0.000 0.306 231 T C 0.130 174.726 174.700 -0.173 0.000 1.313 231 T CA -0.130 61.849 62.100 -0.201 0.000 1.012 231 T CB 1.409 70.153 68.868 -0.207 0.000 1.298 231 T HN 0.013 nan 8.240 nan 0.000 0.502 232 S N -0.142 115.475 115.700 -0.138 0.000 2.540 232 S HA 0.092 4.562 4.470 0.001 0.000 0.218 232 S C 1.765 176.234 174.600 -0.218 0.000 0.977 232 S CA 0.412 58.535 58.200 -0.128 0.000 0.918 232 S CB -0.951 62.237 63.200 -0.021 0.000 0.806 232 S HN 0.862 nan 8.310 nan 0.000 0.496 233 C N 0.400 119.569 119.300 -0.218 0.000 2.855 233 C HA 0.664 5.125 4.460 0.001 0.000 0.279 233 C C 0.205 175.007 174.990 -0.313 0.000 1.270 233 C CA -0.772 58.132 59.018 -0.191 0.000 1.702 233 C CB -1.570 26.137 27.740 -0.055 0.000 1.949 233 C HN 0.293 nan 8.230 nan 0.000 0.618 234 V N 1.576 121.221 119.914 -0.448 0.000 2.350 234 V HA 0.324 4.445 4.120 0.001 0.000 0.285 234 V C -0.086 175.783 176.094 -0.376 0.000 1.014 234 V CA -0.028 62.092 62.300 -0.300 0.000 0.831 234 V CB 0.721 32.444 31.823 -0.167 0.000 1.000 234 V HN 0.501 nan 8.190 nan 0.000 0.433 235 H N 1.545 120.624 119.070 0.015 0.000 2.755 235 H HA 0.393 4.950 4.556 0.001 0.000 0.273 235 H C 0.650 175.999 175.328 0.035 0.000 1.055 235 H CA 0.451 56.512 56.048 0.022 0.000 1.191 235 H CB 0.791 30.564 29.762 0.019 0.000 1.536 235 H HN 0.703 nan 8.280 nan 0.000 0.529 236 S N -1.258 114.512 115.700 0.117 0.000 2.588 236 S HA 0.327 4.798 4.470 0.001 0.000 0.269 236 S C 0.397 175.060 174.600 0.106 0.000 1.157 236 S CA -1.129 57.135 58.200 0.106 0.000 0.824 236 S CB 2.385 65.648 63.200 0.106 0.000 1.126 236 S HN 0.128 nan 8.310 nan 0.000 0.464 237 R N 0.276 120.844 120.500 0.114 0.000 2.092 237 R HA -0.030 4.311 4.340 0.001 0.000 0.231 237 R C 1.777 178.180 176.300 0.172 0.000 1.119 237 R CA 1.837 58.023 56.100 0.142 0.000 0.970 237 R CB -0.909 29.469 30.300 0.130 0.000 0.864 237 R HN 0.767 nan 8.270 nan 0.000 0.440 238 T N 1.062 115.708 114.554 0.154 0.000 2.684 238 T HA -0.242 4.108 4.350 0.001 0.000 0.267 238 T C 1.803 176.641 174.700 0.229 0.000 1.036 238 T CA 1.449 63.663 62.100 0.190 0.000 1.148 238 T CB -0.153 68.780 68.868 0.109 0.000 0.863 238 T HN 0.348 nan 8.240 nan 0.000 0.436 239 Q N 0.299 120.191 119.800 0.154 0.000 2.124 239 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 239 Q C 2.424 178.489 176.000 0.108 0.000 0.977 239 Q CA 1.391 57.272 55.803 0.130 0.000 0.850 239 Q CB -0.246 28.546 28.738 0.089 0.000 0.901 239 Q HN 0.553 nan 8.270 nan 0.000 0.429 240 A N -0.212 122.677 122.820 0.114 0.000 1.969 240 A HA -0.094 4.227 4.320 0.001 0.000 0.218 240 A C 2.151 179.834 177.584 0.165 0.000 1.169 240 A CA 1.219 53.315 52.037 0.098 0.000 0.635 240 A CB -0.490 18.622 19.000 0.186 0.000 0.810 240 A HN 0.294 nan 8.150 nan 0.000 0.445 241 V N -0.066 119.997 119.914 0.249 0.000 2.407 241 V HA -0.184 3.937 4.120 0.001 0.000 0.248 241 V C 2.766 178.855 176.094 -0.007 0.000 1.055 241 V CA 1.909 64.368 62.300 0.265 0.000 1.049 241 V CB -1.310 30.685 31.823 0.286 0.000 0.662 241 V HN 0.607 nan 8.190 nan 0.000 0.455 242 G N -0.790 108.015 108.800 0.008 0.000 2.408 242 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 242 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 242 G C 1.599 176.442 174.900 -0.096 0.000 1.150 242 G CA 0.908 45.982 45.100 -0.044 0.000 0.776 242 G HN 0.453 nan 8.290 nan 0.000 0.542 243 M N -1.188 118.328 119.600 -0.140 0.000 2.236 243 M HA 0.125 4.606 4.480 0.001 0.000 0.266 243 M C 2.273 178.345 176.300 -0.380 0.000 1.070 243 M CA 0.878 56.018 55.300 -0.267 0.000 1.137 243 M CB -0.129 32.263 32.600 -0.347 0.000 1.378 243 M HN 0.365 nan 8.290 nan 0.000 0.426 244 W N 0.327 121.382 121.300 -0.408 0.000 2.467 244 W HA -0.141 4.520 4.660 0.002 0.000 0.275 244 W C 2.553 178.701 176.519 -0.619 0.000 1.239 244 W CA 0.486 57.395 57.345 -0.726 0.000 1.266 244 W CB -0.140 28.350 29.460 -1.617 0.000 1.112 244 W HN 0.237 nan 8.180 nan 0.000 0.576 245 Q N 0.753 120.422 119.800 -0.218 0.000 2.170 245 Q HA -0.156 4.184 4.340 0.001 0.000 0.203 245 Q C 1.818 177.770 176.000 -0.080 0.000 0.976 245 Q CA 1.832 57.568 55.803 -0.111 0.000 0.858 245 Q CB -0.548 28.120 28.738 -0.117 0.000 0.907 245 Q HN 0.173 nan 8.270 nan 0.000 0.433 246 V N 0.473 120.328 119.914 -0.097 0.000 2.332 246 V HA -0.285 3.836 4.120 0.001 0.000 0.248 246 V C 2.195 178.267 176.094 -0.037 0.000 1.055 246 V CA 1.942 64.204 62.300 -0.065 0.000 1.038 246 V CB -0.659 31.114 31.823 -0.084 0.000 0.651 246 V HN 0.406 nan 8.190 nan 0.000 0.450 247 L N -1.054 120.144 121.223 -0.041 0.000 2.179 247 L HA -0.039 4.302 4.340 0.001 0.000 0.208 247 L C 2.357 179.226 176.870 -0.001 0.000 1.096 247 L CA 1.070 55.909 54.840 -0.001 0.000 0.779 247 L CB -0.469 41.614 42.059 0.040 0.000 0.922 247 L HN 0.300 nan 8.230 nan 0.000 0.443 248 L N 0.041 121.253 121.223 -0.018 0.000 2.156 248 L HA -0.140 4.201 4.340 0.001 0.000 0.208 248 L C 2.572 179.463 176.870 0.035 0.000 1.095 248 L CA 1.137 55.988 54.840 0.017 0.000 0.770 248 L CB -0.066 42.019 42.059 0.044 0.000 0.914 248 L HN 0.271 nan 8.230 nan 0.000 0.439 249 E N -0.478 119.734 120.200 0.021 0.000 2.150 249 E HA -0.283 4.068 4.350 0.001 0.000 0.193 249 E C 1.004 177.630 176.600 0.044 0.000 0.985 249 E CA 1.430 57.847 56.400 0.029 0.000 0.814 249 E CB 0.150 29.856 29.700 0.010 0.000 0.752 249 E HN 0.494 nan 8.360 nan 0.000 0.466 250 D N -1.802 118.621 120.400 0.038 0.000 2.349 250 D HA 0.100 4.741 4.640 0.001 0.000 0.214 250 D C 0.806 177.135 176.300 0.048 0.000 1.063 250 D CA 0.809 54.836 54.000 0.045 0.000 0.847 250 D CB 0.452 41.275 40.800 0.038 0.000 0.933 250 D HN 0.318 nan 8.370 nan 0.000 0.513 251 G N -0.370 108.458 108.800 0.048 0.000 2.179 251 G HA2 -0.316 3.645 3.960 0.001 0.000 0.260 251 G HA3 -0.316 3.645 3.960 0.001 0.000 0.260 251 G C 1.226 176.155 174.900 0.049 0.000 0.977 251 G CA 0.509 45.640 45.100 0.050 0.000 0.641 251 G HN 0.298 nan 8.290 nan 0.000 0.533 252 V N -0.474 119.469 119.914 0.048 0.000 2.591 252 V HA 0.290 4.411 4.120 0.001 0.000 0.249 252 V C 1.107 177.222 176.094 0.035 0.000 1.053 252 V CA 1.803 64.141 62.300 0.064 0.000 1.068 252 V CB 0.171 32.042 31.823 0.081 0.000 0.689 252 V HN 0.437 nan 8.190 nan 0.000 0.462 253 L N 1.548 122.756 121.223 -0.025 0.000 2.343 253 L HA 0.545 4.885 4.340 0.001 0.000 0.278 253 L C -0.794 176.069 176.870 -0.010 0.000 0.996 253 L CA -0.040 54.714 54.840 -0.143 0.000 0.831 253 L CB 1.390 43.277 42.059 -0.287 0.000 1.232 253 L HN 0.083 nan 8.230 nan 0.000 0.413 254 N N 3.110 121.827 118.700 0.029 0.000 2.372 254 N HA 0.233 4.974 4.740 0.001 0.000 0.285 254 N C -0.831 174.781 175.510 0.170 0.000 1.008 254 N CA -0.545 52.570 53.050 0.108 0.000 0.880 254 N CB 1.458 39.981 38.487 0.061 0.000 1.239 254 N HN 0.677 nan 8.380 nan 0.000 0.484 255 H N 1.566 120.710 119.070 0.123 0.000 3.016 255 H HA -0.037 4.520 4.556 0.001 0.000 0.345 255 H C 0.905 176.143 175.328 -0.150 0.000 1.066 255 H CA 0.369 56.340 56.048 -0.129 0.000 1.390 255 H CB 1.312 30.975 29.762 -0.165 0.000 1.344 255 H HN 0.231 nan 8.280 nan 0.000 0.605 256 V N 4.326 123.768 119.914 -0.787 0.000 2.626 256 V HA -0.174 3.947 4.120 0.001 0.000 0.252 256 V C 0.441 176.316 176.094 -0.365 0.000 1.067 256 V CA 2.026 64.055 62.300 -0.451 0.000 1.081 256 V CB -0.235 31.377 31.823 -0.351 0.000 0.686 256 V HN 0.714 nan 8.190 nan 0.000 0.468 257 D N -1.299 118.716 120.400 -0.642 0.000 2.466 257 D HA 0.290 4.931 4.640 0.001 0.000 0.271 257 D C 0.394 176.717 176.300 0.037 0.000 1.193 257 D CA -0.274 53.620 54.000 -0.175 0.000 1.103 257 D CB 0.189 40.954 40.800 -0.057 0.000 1.184 257 D HN 0.041 nan 8.370 nan 0.000 0.593 258 Q N -0.003 119.888 119.800 0.151 0.000 2.211 258 Q HA 0.235 4.576 4.340 0.001 0.000 0.301 258 Q C -1.084 174.977 176.000 0.103 0.000 0.884 258 Q CA -0.080 55.798 55.803 0.125 0.000 1.115 258 Q CB 0.529 29.309 28.738 0.069 0.000 1.217 258 Q HN 0.248 nan 8.270 nan 0.000 0.451 259 E N 0.139 120.396 120.200 0.096 0.000 2.384 259 E HA 0.018 4.369 4.350 0.001 0.000 0.266 259 E C 0.555 177.082 176.600 -0.122 0.000 1.012 259 E CA 0.000 56.273 56.400 -0.212 0.000 0.901 259 E CB 0.783 30.009 29.700 -0.790 0.000 0.967 259 E HN 0.178 nan 8.360 nan 0.000 0.435 260 R N 2.121 122.606 120.500 -0.025 0.000 2.313 260 R HA -0.023 4.318 4.340 0.001 0.000 0.199 260 R C -0.191 176.181 176.300 0.120 0.000 0.958 260 R CA 0.337 56.486 56.100 0.081 0.000 1.047 260 R CB 0.070 30.448 30.300 0.130 0.000 0.955 260 R HN 0.539 nan 8.270 nan 0.000 0.481 261 H N -3.965 115.095 119.070 -0.018 0.000 2.806 261 H HA 0.241 4.797 4.556 0.001 0.000 0.367 261 H C -1.454 173.887 175.328 0.023 0.000 1.136 261 H CA -1.094 54.950 56.048 -0.007 0.000 1.178 261 H CB 0.672 30.411 29.762 -0.039 0.000 1.718 261 H HN -0.150 nan 8.280 nan 0.000 0.540 262 F N 2.369 122.273 119.950 -0.076 0.000 2.443 262 F HA 0.308 4.836 4.527 0.001 0.000 0.353 262 F C -0.348 175.399 175.800 -0.088 0.000 1.101 262 F CA 0.195 58.085 58.000 -0.185 0.000 1.226 262 F CB 0.908 39.748 39.000 -0.265 0.000 1.140 262 F HN 0.657 nan 8.300 nan 0.000 0.557 263 Q N 3.596 122.945 119.800 -0.752 0.000 2.372 263 Q HA 0.152 4.493 4.340 0.001 0.000 0.273 263 Q C -1.383 174.288 176.000 -0.549 0.000 1.078 263 Q CA -1.005 54.550 55.803 -0.413 0.000 0.806 263 Q CB 1.984 30.589 28.738 -0.223 0.000 1.332 263 Q HN 0.512 nan 8.270 nan 0.000 0.435 264 D N 2.369 122.653 120.400 -0.195 0.000 2.688 264 D HA 0.133 4.773 4.640 0.001 0.000 0.228 264 D C -0.868 175.385 176.300 -0.078 0.000 1.116 264 D CA 0.486 54.435 54.000 -0.086 0.000 1.023 264 D CB -0.064 40.769 40.800 0.054 0.000 1.100 264 D HN 0.255 nan 8.370 nan 0.000 0.487 265 K N 0.541 120.858 120.400 -0.139 0.000 2.499 265 K HA 0.160 4.481 4.320 0.001 0.000 0.277 265 K C -1.083 175.461 176.600 -0.094 0.000 1.025 265 K CA -1.074 55.156 56.287 -0.095 0.000 0.900 265 K CB 1.202 33.623 32.500 -0.132 0.000 1.494 265 K HN -0.039 nan 8.250 nan 0.000 0.442 266 Y N 2.664 122.832 120.300 -0.220 0.000 2.532 266 Y HA 0.278 4.829 4.550 0.001 0.000 0.337 266 Y C -1.154 174.405 175.900 -0.568 0.000 1.274 266 Y CA 0.123 58.043 58.100 -0.300 0.000 1.817 266 Y CB -0.439 37.869 38.460 -0.253 0.000 1.769 266 Y HN 0.213 nan 8.280 nan 0.000 0.447 267 L N 4.120 124.899 121.223 -0.740 0.000 2.409 267 L HA 0.471 4.811 4.340 0.001 0.000 0.262 267 L C -1.174 175.128 176.870 -0.945 0.000 0.992 267 L CA -1.082 53.174 54.840 -0.974 0.000 0.817 267 L CB 1.772 43.447 42.059 -0.640 0.000 1.350 267 L HN 0.063 nan 8.230 nan 0.000 0.411 268 F N 1.050 120.485 119.950 -0.859 0.000 2.399 268 F HA 0.591 5.119 4.527 0.001 0.000 0.334 268 F C -0.415 174.865 175.800 -0.867 0.000 1.097 268 F CA -0.965 56.592 58.000 -0.739 0.000 1.076 268 F CB 0.685 39.272 39.000 -0.687 0.000 1.162 268 F HN 0.118 nan 8.300 nan 0.000 0.495 269 Y N 0.762 121.026 120.300 -0.060 0.000 2.492 269 Y HA 0.608 5.159 4.550 0.001 0.000 0.346 269 Y C -0.271 175.544 175.900 -0.143 0.000 0.997 269 Y CA -1.209 56.825 58.100 -0.110 0.000 1.025 269 Y CB 2.292 40.677 38.460 -0.125 0.000 1.263 269 Y HN 0.508 nan 8.280 nan 0.000 0.454 270 R N 2.202 122.708 120.500 0.010 0.000 2.561 270 R HA 0.582 4.922 4.340 0.001 0.000 0.297 270 R C -1.546 174.735 176.300 -0.031 0.000 0.969 270 R CA -0.597 55.504 56.100 0.001 0.000 0.879 270 R CB 0.995 31.305 30.300 0.016 0.000 1.178 270 R HN 0.589 nan 8.270 nan 0.000 0.445 271 F N 3.139 123.094 119.950 0.008 0.000 2.490 271 F HA 0.012 4.540 4.527 0.001 0.000 0.336 271 F C 1.551 177.360 175.800 0.016 0.000 1.178 271 F CA -0.113 57.895 58.000 0.013 0.000 1.301 271 F CB 0.473 39.468 39.000 -0.009 0.000 1.175 271 F HN 0.533 nan 8.300 nan 0.000 0.593 272 L N 1.755 123.117 121.223 0.232 0.000 1.961 272 L HA -0.206 4.135 4.340 0.001 0.000 0.210 272 L C 1.781 178.714 176.870 0.105 0.000 1.072 272 L CA 1.933 56.852 54.840 0.131 0.000 0.749 272 L CB -0.863 41.263 42.059 0.112 0.000 0.889 272 L HN 0.696 nan 8.230 nan 0.000 0.432 273 D N -2.237 118.224 120.400 0.101 0.000 2.346 273 D HA -0.083 4.558 4.640 0.001 0.000 0.248 273 D C 0.850 177.178 176.300 0.046 0.000 1.173 273 D CA 0.308 54.342 54.000 0.055 0.000 0.878 273 D CB -0.515 40.303 40.800 0.031 0.000 0.919 273 D HN 0.347 nan 8.370 nan 0.000 0.513 274 D N -0.031 120.413 120.400 0.075 0.000 2.398 274 D HA -0.017 4.624 4.640 0.001 0.000 0.210 274 D C 1.382 177.707 176.300 0.043 0.000 1.094 274 D CA 0.067 54.101 54.000 0.057 0.000 0.839 274 D CB 0.462 41.318 40.800 0.094 0.000 0.963 274 D HN 0.165 nan 8.370 nan 0.000 0.506 275 E N 0.549 120.776 120.200 0.045 0.000 2.208 275 E HA -0.069 4.282 4.350 0.001 0.000 0.193 275 E C 1.394 178.006 176.600 0.020 0.000 0.988 275 E CA 0.338 56.756 56.400 0.031 0.000 0.828 275 E CB -0.181 29.539 29.700 0.034 0.000 0.763 275 E HN 0.232 nan 8.360 nan 0.000 0.478 276 R N 1.891 122.403 120.500 0.019 0.000 2.489 276 R HA 0.027 4.368 4.340 0.001 0.000 0.287 276 R C 1.124 177.428 176.300 0.006 0.000 1.053 276 R CA 0.305 56.412 56.100 0.011 0.000 1.036 276 R CB -0.351 29.955 30.300 0.011 0.000 0.966 276 R HN 0.016 nan 8.270 nan 0.000 0.432 277 E N 1.125 121.327 120.200 0.002 0.000 2.107 277 E HA -0.084 4.267 4.350 0.001 0.000 0.191 277 E C -0.037 176.561 176.600 -0.004 0.000 0.982 277 E CA 1.560 57.958 56.400 -0.002 0.000 0.809 277 E CB 0.315 30.012 29.700 -0.004 0.000 0.756 277 E HN 0.845 nan 8.360 nan 0.000 0.459 278 D N 0.485 120.883 120.400 -0.003 0.000 3.085 278 D HA 0.228 4.869 4.640 0.001 0.000 0.243 278 D C -1.079 175.218 176.300 -0.005 0.000 1.232 278 D CA 0.129 54.127 54.000 -0.004 0.000 0.913 278 D CB 0.274 41.072 40.800 -0.003 0.000 1.108 278 D HN 0.178 nan 8.370 nan 0.000 0.468 279 A N 2.366 125.182 122.820 -0.007 0.000 2.396 279 A HA 0.438 4.759 4.320 0.001 0.000 0.279 279 A C -1.706 175.869 177.584 -0.014 0.000 1.165 279 A CA -1.035 50.996 52.037 -0.010 0.000 0.824 279 A CB 0.004 18.997 19.000 -0.011 0.000 1.100 279 A HN 0.137 nan 8.150 nan 0.000 0.516 280 P HA 0.443 nan 4.420 nan 0.000 0.286 280 P C -0.477 176.809 177.300 -0.023 0.000 1.261 280 P CA -0.590 62.500 63.100 -0.016 0.000 0.821 280 P CB 0.725 32.417 31.700 -0.012 0.000 1.013 281 L N 3.262 124.472 121.223 -0.022 0.000 2.514 281 L HA 0.125 4.466 4.340 0.001 0.000 0.280 281 L C -1.690 175.163 176.870 -0.028 0.000 1.223 281 L CA -1.438 53.386 54.840 -0.027 0.000 0.864 281 L CB -0.788 41.259 42.059 -0.021 0.000 1.118 281 L HN 0.295 nan 8.230 nan 0.000 0.494 282 P HA 0.054 nan 4.420 nan 0.000 0.267 282 P C -0.212 177.074 177.300 -0.024 0.000 1.205 282 P CA -0.327 62.753 63.100 -0.034 0.000 0.765 282 P CB 0.448 32.121 31.700 -0.045 0.000 0.828 283 T N -0.429 114.113 114.554 -0.019 0.000 2.726 283 T HA 0.091 4.442 4.350 0.001 0.000 0.294 283 T C 1.172 175.864 174.700 -0.013 0.000 1.013 283 T CA -0.404 61.687 62.100 -0.014 0.000 0.996 283 T CB 0.635 69.496 68.868 -0.011 0.000 1.016 283 T HN 0.297 nan 8.240 nan 0.000 0.529 284 E N 0.593 120.787 120.200 -0.010 0.000 2.150 284 E HA -0.133 4.217 4.350 0.001 0.000 0.193 284 E C 2.208 178.803 176.600 -0.008 0.000 0.985 284 E CA 1.504 57.899 56.400 -0.008 0.000 0.814 284 E CB -0.171 29.526 29.700 -0.006 0.000 0.752 284 E HN 0.959 nan 8.360 nan 0.000 0.466 285 E N 0.788 120.984 120.200 -0.008 0.000 2.152 285 E HA -0.137 4.213 4.350 0.001 0.000 0.192 285 E C 1.660 178.255 176.600 -0.009 0.000 0.983 285 E CA 0.782 57.177 56.400 -0.007 0.000 0.818 285 E CB -0.187 29.510 29.700 -0.006 0.000 0.758 285 E HN 0.241 nan 8.360 nan 0.000 0.467 286 E N 1.263 121.456 120.200 -0.012 0.000 2.107 286 E HA -0.089 4.262 4.350 0.001 0.000 0.191 286 E C 1.960 178.551 176.600 -0.016 0.000 0.982 286 E CA 0.899 57.289 56.400 -0.015 0.000 0.809 286 E CB 0.099 29.787 29.700 -0.020 0.000 0.756 286 E HN 0.218 nan 8.360 nan 0.000 0.459 287 K N 0.924 121.315 120.400 -0.015 0.000 2.097 287 K HA -0.139 4.182 4.320 0.001 0.000 0.205 287 K C 2.125 178.719 176.600 -0.010 0.000 1.050 287 K CA 0.873 57.153 56.287 -0.012 0.000 0.938 287 K CB -0.009 32.485 32.500 -0.011 0.000 0.718 287 K HN -0.058 nan 8.250 nan 0.000 0.442 288 K N 1.794 122.188 120.400 -0.010 0.000 2.026 288 K HA -0.194 4.127 4.320 0.001 0.000 0.208 288 K C 1.916 178.509 176.600 -0.010 0.000 1.048 288 K CA 1.824 58.105 56.287 -0.009 0.000 0.929 288 K CB 0.086 32.581 32.500 -0.008 0.000 0.713 288 K HN 0.265 nan 8.250 nan 0.000 0.439 289 E N 0.021 120.215 120.200 -0.010 0.000 2.358 289 E HA -0.145 4.206 4.350 0.001 0.000 0.195 289 E C 2.162 178.755 176.600 -0.011 0.000 1.010 289 E CA 0.847 57.240 56.400 -0.011 0.000 0.856 289 E CB -0.445 29.249 29.700 -0.009 0.000 0.795 289 E HN 0.343 nan 8.360 nan 0.000 0.504 290 C N 1.431 120.725 119.300 -0.010 0.000 2.440 290 C HA -0.088 4.372 4.460 0.001 0.000 0.278 290 C C 2.068 177.055 174.990 -0.005 0.000 1.295 290 C CA 1.242 60.257 59.018 -0.005 0.000 1.738 290 C CB -0.786 26.952 27.740 -0.002 0.000 1.987 290 C HN 0.336 nan 8.230 nan 0.000 0.492 291 D N 0.440 120.833 120.400 -0.010 0.000 2.178 291 D HA -0.088 4.553 4.640 0.001 0.000 0.201 291 D C 2.233 178.515 176.300 -0.029 0.000 0.980 291 D CA 1.282 55.270 54.000 -0.020 0.000 0.842 291 D CB -0.252 40.534 40.800 -0.022 0.000 0.948 291 D HN 0.698 nan 8.370 nan 0.000 0.472 292 E N -0.183 120.003 120.200 -0.024 0.000 2.230 292 E HA -0.021 4.330 4.350 0.001 0.000 0.192 292 E C 1.422 178.005 176.600 -0.029 0.000 0.987 292 E CA 0.583 56.968 56.400 -0.026 0.000 0.841 292 E CB 0.177 29.866 29.700 -0.019 0.000 0.783 292 E HN 0.322 nan 8.360 nan 0.000 0.481 293 E N 0.007 120.192 120.200 -0.025 0.000 2.434 293 E HA 0.019 4.370 4.350 0.001 0.000 0.207 293 E C 1.650 178.234 176.600 -0.027 0.000 0.929 293 E CA -0.183 56.202 56.400 -0.025 0.000 1.001 293 E CB 0.296 29.985 29.700 -0.018 0.000 1.016 293 E HN 0.014 nan 8.360 nan 0.000 0.502 294 L N 1.484 122.694 121.223 -0.021 0.000 1.971 294 L HA -0.282 4.059 4.340 0.001 0.000 0.215 294 L C 2.099 178.943 176.870 -0.044 0.000 1.072 294 L CA 1.918 56.749 54.840 -0.014 0.000 0.758 294 L CB -0.209 41.852 42.059 0.004 0.000 0.889 294 L HN 0.043 nan 8.230 nan 0.000 0.433 295 Q N -0.692 119.071 119.800 -0.063 0.000 2.124 295 Q HA -0.229 4.112 4.340 0.001 0.000 0.202 295 Q C 2.093 178.048 176.000 -0.075 0.000 0.977 295 Q CA 1.903 57.657 55.803 -0.082 0.000 0.850 295 Q CB -0.513 28.170 28.738 -0.091 0.000 0.901 295 Q HN 0.644 nan 8.270 nan 0.000 0.429 296 D N -0.552 119.810 120.400 -0.064 0.000 2.178 296 D HA -0.080 4.561 4.640 0.001 0.000 0.202 296 D C 1.481 177.746 176.300 -0.058 0.000 0.974 296 D CA 1.292 55.257 54.000 -0.060 0.000 0.841 296 D CB 0.276 41.045 40.800 -0.052 0.000 0.953 296 D HN 0.187 nan 8.370 nan 0.000 0.478 297 T N 0.018 114.540 114.554 -0.053 0.000 2.821 297 T HA -0.108 4.243 4.350 0.001 0.000 0.267 297 T C 1.833 176.484 174.700 -0.081 0.000 1.046 297 T CA 0.688 62.755 62.100 -0.055 0.000 1.139 297 T CB -0.033 68.813 68.868 -0.036 0.000 0.871 297 T HN 0.135 nan 8.240 nan 0.000 0.454 298 M N 0.698 120.243 119.600 -0.092 0.000 2.175 298 M HA 0.074 4.555 4.480 0.001 0.000 0.264 298 M C 2.300 178.532 176.300 -0.112 0.000 1.063 298 M CA 1.013 56.238 55.300 -0.125 0.000 1.119 298 M CB -1.282 31.237 32.600 -0.135 0.000 1.377 298 M HN 0.226 nan 8.290 nan 0.000 0.415 299 L N 0.559 121.729 121.223 -0.087 0.000 2.046 299 L HA -0.155 4.186 4.340 0.001 0.000 0.208 299 L C 2.234 179.063 176.870 -0.069 0.000 1.077 299 L CA 1.433 56.231 54.840 -0.071 0.000 0.747 299 L CB -0.946 41.077 42.059 -0.061 0.000 0.896 299 L HN 0.204 nan 8.230 nan 0.000 0.432 300 L N -0.774 120.407 121.223 -0.071 0.000 2.017 300 L HA -0.188 4.153 4.340 0.001 0.000 0.208 300 L C 2.289 179.113 176.870 -0.075 0.000 1.073 300 L CA 1.891 56.692 54.840 -0.065 0.000 0.745 300 L CB -0.630 41.395 42.059 -0.057 0.000 0.894 300 L HN 0.292 nan 8.230 nan 0.000 0.432 301 L N -0.637 120.526 121.223 -0.101 0.000 2.131 301 L HA -0.169 4.172 4.340 0.001 0.000 0.210 301 L C 2.660 179.460 176.870 -0.116 0.000 1.092 301 L CA 1.312 56.075 54.840 -0.128 0.000 0.759 301 L CB -0.932 41.006 42.059 -0.201 0.000 0.903 301 L HN 0.520 nan 8.230 nan 0.000 0.435 302 S N -0.732 114.907 115.700 -0.102 0.000 2.402 302 S HA -0.203 4.268 4.470 0.001 0.000 0.229 302 S C 1.869 176.437 174.600 -0.053 0.000 1.021 302 S CA 0.827 58.983 58.200 -0.073 0.000 0.974 302 S CB -0.211 62.952 63.200 -0.061 0.000 0.800 302 S HN 0.503 nan 8.310 nan 0.000 0.484 303 Q N 0.173 119.939 119.800 -0.058 0.000 2.137 303 Q HA 0.226 4.567 4.340 0.001 0.000 0.198 303 Q C 2.147 178.116 176.000 -0.051 0.000 0.960 303 Q CA 1.203 56.972 55.803 -0.057 0.000 0.847 303 Q CB -0.222 28.481 28.738 -0.058 0.000 0.915 303 Q HN 0.599 nan 8.270 nan 0.000 0.448 304 M N -0.499 119.071 119.600 -0.050 0.000 2.506 304 M HA 0.045 4.526 4.480 0.001 0.000 0.260 304 M C 1.970 178.251 176.300 -0.032 0.000 1.104 304 M CA 0.736 56.013 55.300 -0.038 0.000 1.112 304 M CB 0.086 32.661 32.600 -0.041 0.000 1.401 304 M HN 0.283 nan 8.290 nan 0.000 0.473 305 G N 1.862 110.639 108.800 -0.038 0.000 2.433 305 G HA2 -0.156 3.805 3.960 0.001 0.000 0.216 305 G HA3 -0.156 3.805 3.960 0.001 0.000 0.216 305 G C -1.045 173.879 174.900 0.041 0.000 1.186 305 G CA 0.579 45.668 45.100 -0.019 0.000 0.779 305 G HN 0.317 nan 8.290 nan 0.000 0.543 306 P HA -0.080 nan 4.420 nan 0.000 0.216 306 P C 1.476 178.809 177.300 0.056 0.000 1.150 306 P CA 1.651 64.784 63.100 0.055 0.000 0.837 306 P CB -0.087 31.623 31.700 0.017 0.000 0.786 307 D N -0.612 119.805 120.400 0.028 0.000 2.162 307 D HA -0.059 4.582 4.640 0.001 0.000 0.203 307 D C 1.807 178.110 176.300 0.005 0.000 0.967 307 D CA 1.045 55.058 54.000 0.022 0.000 0.840 307 D CB -0.765 40.049 40.800 0.022 0.000 0.972 307 D HN 0.072 nan 8.370 nan 0.000 0.482 308 A N 0.831 123.653 122.820 0.003 0.000 1.933 308 A HA -0.231 4.089 4.320 0.001 0.000 0.218 308 A C 2.121 179.697 177.584 -0.013 0.000 1.175 308 A CA 1.718 53.738 52.037 -0.027 0.000 0.628 308 A CB -1.259 17.720 19.000 -0.035 0.000 0.814 308 A HN 0.434 nan 8.150 nan 0.000 0.444 309 H N -1.713 117.332 119.070 -0.043 0.000 2.357 309 H HA -0.007 4.549 4.556 0.001 0.000 0.301 309 H C 2.121 177.417 175.328 -0.053 0.000 1.082 309 H CA 1.442 57.474 56.048 -0.028 0.000 1.342 309 H CB -0.080 29.682 29.762 0.000 0.000 1.389 309 H HN 0.472 nan 8.280 nan 0.000 0.511 310 M N 0.325 119.982 119.600 0.096 0.000 2.117 310 M HA -0.207 4.274 4.480 0.001 0.000 0.262 310 M C 2.113 178.359 176.300 -0.090 0.000 1.065 310 M CA 1.661 56.966 55.300 0.007 0.000 1.114 310 M CB -0.002 32.599 32.600 0.003 0.000 1.361 310 M HN 0.267 nan 8.290 nan 0.000 0.408 311 R N -0.312 120.071 120.500 -0.196 0.000 2.081 311 R HA -0.163 4.178 4.340 0.001 0.000 0.235 311 R C 2.314 178.372 176.300 -0.404 0.000 1.131 311 R CA 1.873 57.669 56.100 -0.507 0.000 0.960 311 R CB -0.543 29.382 30.300 -0.625 0.000 0.856 311 R HN 0.516 nan 8.270 nan 0.000 0.436 312 M N 0.647 120.128 119.600 -0.198 0.000 2.080 312 M HA -0.194 4.287 4.480 0.001 0.000 0.260 312 M C 1.806 178.047 176.300 -0.098 0.000 1.068 312 M CA 1.710 56.937 55.300 -0.122 0.000 1.109 312 M CB 0.042 32.610 32.600 -0.054 0.000 1.342 312 M HN 0.062 nan 8.290 nan 0.000 0.405 313 I N 0.630 121.180 120.570 -0.034 0.000 2.252 313 I HA -0.246 3.925 4.170 0.001 0.000 0.245 313 I C 2.315 178.404 176.117 -0.046 0.000 1.102 313 I CA 1.355 62.641 61.300 -0.023 0.000 1.385 313 I CB -1.438 36.575 38.000 0.021 0.000 1.064 313 I HN 0.412 nan 8.210 nan 0.000 0.414 314 L N 0.131 121.315 121.223 -0.064 0.000 2.353 314 L HA -0.137 4.204 4.340 0.001 0.000 0.220 314 L C 2.614 179.484 176.870 0.001 0.000 1.133 314 L CA 0.792 55.621 54.840 -0.019 0.000 0.798 314 L CB -0.500 41.564 42.059 0.009 0.000 0.922 314 L HN 0.197 nan 8.230 nan 0.000 0.445 315 R N 0.123 120.584 120.500 -0.065 0.000 2.148 315 R HA -0.046 4.295 4.340 0.001 0.000 0.227 315 R C 0.541 176.834 176.300 -0.012 0.000 1.103 315 R CA 0.613 56.702 56.100 -0.019 0.000 0.983 315 R CB -0.079 30.183 30.300 -0.064 0.000 0.874 315 R HN 0.294 nan 8.270 nan 0.000 0.451 316 K N 2.233 122.610 120.400 -0.039 0.000 2.322 316 K HA 0.130 4.450 4.320 0.001 0.000 0.283 316 K C -2.252 174.347 176.600 -0.003 0.000 1.042 316 K CA -1.716 54.551 56.287 -0.033 0.000 0.958 316 K CB 0.668 33.136 32.500 -0.054 0.000 0.984 316 K HN -0.060 nan 8.250 nan 0.000 0.473 317 P HA 0.006 nan 4.420 nan 0.000 0.269 317 P C -2.243 175.065 177.300 0.013 0.000 1.215 317 P CA -1.212 61.897 63.100 0.016 0.000 0.780 317 P CB 0.217 31.926 31.700 0.014 0.000 0.898 318 P HA -0.253 nan 4.420 nan 0.000 0.216 318 P C 1.684 178.990 177.300 0.010 0.000 1.167 318 P CA 2.577 65.687 63.100 0.017 0.000 0.933 318 P CB -0.744 30.969 31.700 0.021 0.000 0.793 319 G N -1.053 107.752 108.800 0.008 0.000 2.501 319 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 319 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 319 G C 1.028 175.929 174.900 0.001 0.000 1.114 319 G CA 0.512 45.615 45.100 0.004 0.000 0.757 319 G HN 0.419 nan 8.290 nan 0.000 0.559 320 Q N -0.210 119.589 119.800 -0.001 0.000 2.237 320 Q HA 0.248 4.589 4.340 0.001 0.000 0.252 320 Q C -0.116 175.877 176.000 -0.011 0.000 0.877 320 Q CA -0.223 55.576 55.803 -0.007 0.000 1.011 320 Q CB 0.572 29.303 28.738 -0.011 0.000 1.118 320 Q HN 0.261 nan 8.270 nan 0.000 0.458 321 R N 1.062 121.558 120.500 -0.006 0.000 2.310 321 R HA 0.215 4.556 4.340 0.001 0.000 0.324 321 R C 0.262 176.559 176.300 -0.005 0.000 0.955 321 R CA -0.213 55.884 56.100 -0.006 0.000 0.830 321 R CB 1.235 31.536 30.300 0.001 0.000 1.154 321 R HN 0.163 nan 8.270 nan 0.000 0.458 322 T N -1.466 113.084 114.554 -0.005 0.000 2.698 322 T HA 0.042 4.393 4.350 0.001 0.000 0.295 322 T C 1.539 176.236 174.700 -0.006 0.000 1.007 322 T CA -0.755 61.342 62.100 -0.004 0.000 0.980 322 T CB 0.675 69.543 68.868 -0.001 0.000 1.036 322 T HN 0.155 nan 8.240 nan 0.000 0.526 323 V N 1.163 121.072 119.914 -0.007 0.000 2.358 323 V HA -0.117 4.004 4.120 0.001 0.000 0.246 323 V C 2.589 178.677 176.094 -0.009 0.000 1.047 323 V CA 2.073 64.366 62.300 -0.012 0.000 1.035 323 V CB -0.832 30.983 31.823 -0.014 0.000 0.658 323 V HN 0.847 nan 8.190 nan 0.000 0.452 324 D N -0.134 120.264 120.400 -0.004 0.000 2.144 324 D HA -0.153 4.488 4.640 0.001 0.000 0.199 324 D C 1.889 178.182 176.300 -0.011 0.000 0.984 324 D CA 1.273 55.270 54.000 -0.004 0.000 0.834 324 D CB -0.302 40.501 40.800 0.005 0.000 0.955 324 D HN 0.402 nan 8.370 nan 0.000 0.465 325 D N 0.466 120.862 120.400 -0.006 0.000 2.103 325 D HA -0.137 4.504 4.640 0.001 0.000 0.190 325 D C 2.277 178.577 176.300 -0.001 0.000 0.997 325 D CA 0.489 54.485 54.000 -0.006 0.000 0.833 325 D CB -0.434 40.366 40.800 -0.001 0.000 0.961 325 D HN 0.105 nan 8.370 nan 0.000 0.447 326 L N 1.096 122.322 121.223 0.006 0.000 2.043 326 L HA -0.179 4.161 4.340 0.001 0.000 0.212 326 L C 2.297 179.197 176.870 0.050 0.000 1.075 326 L CA 1.556 56.408 54.840 0.020 0.000 0.752 326 L CB -0.409 41.649 42.059 -0.002 0.000 0.891 326 L HN 0.091 nan 8.230 nan 0.000 0.432 327 E N -0.321 119.897 120.200 0.031 0.000 2.106 327 E HA -0.210 4.141 4.350 0.001 0.000 0.192 327 E C 2.354 178.996 176.600 0.070 0.000 0.984 327 E CA 1.074 57.515 56.400 0.068 0.000 0.806 327 E CB -0.059 29.660 29.700 0.032 0.000 0.750 327 E HN 0.502 nan 8.360 nan 0.000 0.458 328 I N 0.787 121.352 120.570 -0.009 0.000 2.226 328 I HA -0.300 3.871 4.170 0.001 0.000 0.245 328 I C 2.274 178.379 176.117 -0.019 0.000 1.100 328 I CA 0.951 62.205 61.300 -0.077 0.000 1.374 328 I CB -0.152 37.712 38.000 -0.227 0.000 1.057 328 I HN 0.158 nan 8.210 nan 0.000 0.413 329 I N -0.555 120.028 120.570 0.022 0.000 2.163 329 I HA -0.327 3.844 4.170 0.001 0.000 0.240 329 I C 2.619 178.780 176.117 0.073 0.000 1.081 329 I CA 1.470 62.797 61.300 0.045 0.000 1.353 329 I CB -0.661 37.373 38.000 0.056 0.000 1.054 329 I HN 0.158 nan 8.210 nan 0.000 0.407 330 Y N 2.211 122.506 120.300 -0.008 0.000 2.081 330 Y HA -0.368 4.183 4.550 0.001 0.000 0.280 330 Y C 2.283 178.177 175.900 -0.010 0.000 1.163 330 Y CA 1.912 60.009 58.100 -0.006 0.000 1.135 330 Y CB -0.531 37.923 38.460 -0.010 0.000 0.970 330 Y HN 0.214 nan 8.280 nan 0.000 0.498 331 D N -0.177 120.178 120.400 -0.075 0.000 2.158 331 D HA -0.203 4.437 4.640 0.001 0.000 0.197 331 D C 2.006 178.241 176.300 -0.109 0.000 0.995 331 D CA 1.816 55.735 54.000 -0.135 0.000 0.846 331 D CB -0.183 40.629 40.800 0.020 0.000 0.941 331 D HN 0.481 nan 8.370 nan 0.000 0.456 332 E N 0.552 120.736 120.200 -0.027 0.000 2.158 332 E HA -0.027 4.324 4.350 0.001 0.000 0.191 332 E C 2.299 178.893 176.600 -0.011 0.000 0.982 332 E CA 0.271 56.704 56.400 0.055 0.000 0.823 332 E CB -0.258 29.471 29.700 0.047 0.000 0.766 332 E HN 0.234 nan 8.360 nan 0.000 0.468 333 L N 0.218 121.382 121.223 -0.097 0.000 2.127 333 L HA -0.168 4.173 4.340 0.001 0.000 0.211 333 L C 2.145 178.911 176.870 -0.174 0.000 1.089 333 L CA 0.823 55.602 54.840 -0.103 0.000 0.757 333 L CB -0.464 41.544 42.059 -0.085 0.000 0.899 333 L HN 0.235 nan 8.230 nan 0.000 0.434 334 L N -1.169 119.841 121.223 -0.355 0.000 2.456 334 L HA -0.169 4.171 4.340 0.001 0.000 0.224 334 L C 1.491 178.096 176.870 -0.441 0.000 1.148 334 L CA 0.820 55.399 54.840 -0.434 0.000 0.825 334 L CB -0.582 41.119 42.059 -0.596 0.000 0.937 334 L HN 0.381 nan 8.230 nan 0.000 0.450 335 H N -1.257 117.773 119.070 -0.066 0.000 2.652 335 H HA 0.310 4.867 4.556 0.001 0.000 0.274 335 H C 0.219 175.540 175.328 -0.011 0.000 1.021 335 H CA -0.280 55.747 56.048 -0.035 0.000 1.187 335 H CB 0.479 30.217 29.762 -0.040 0.000 1.505 335 H HN 0.151 nan 8.280 nan 0.000 0.530 336 I N 1.707 122.313 120.570 0.062 0.000 2.291 336 I HA 0.034 4.205 4.170 0.001 0.000 0.290 336 I C 1.284 177.445 176.117 0.072 0.000 1.050 336 I CA -0.135 61.201 61.300 0.060 0.000 1.245 336 I CB 1.334 39.356 38.000 0.037 0.000 1.405 336 I HN 0.152 nan 8.210 nan 0.000 0.478 337 K N 4.893 125.345 120.400 0.086 0.000 2.113 337 K HA -0.228 4.093 4.320 0.001 0.000 0.208 337 K C 1.982 178.675 176.600 0.154 0.000 1.047 337 K CA 1.771 58.122 56.287 0.108 0.000 0.928 337 K CB 0.084 32.641 32.500 0.095 0.000 0.716 337 K HN 0.801 nan 8.250 nan 0.000 0.446 338 A N 0.342 123.258 122.820 0.160 0.000 2.125 338 A HA -0.065 4.255 4.320 0.001 0.000 0.219 338 A C 1.722 179.553 177.584 0.412 0.000 1.156 338 A CA 1.044 53.236 52.037 0.258 0.000 0.671 338 A CB -0.217 18.896 19.000 0.189 0.000 0.794 338 A HN 0.313 nan 8.150 nan 0.000 0.459 339 L N -0.382 120.997 121.223 0.259 0.000 2.616 339 L HA 0.016 4.356 4.340 0.001 0.000 0.229 339 L C 2.514 179.431 176.870 0.079 0.000 1.110 339 L CA 0.750 55.710 54.840 0.200 0.000 0.884 339 L CB 0.037 42.161 42.059 0.109 0.000 1.115 339 L HN 0.504 nan 8.230 nan 0.000 0.481 340 S N -0.228 115.559 115.700 0.145 0.000 2.399 340 S HA -0.242 4.229 4.470 0.001 0.000 0.231 340 S C 2.081 176.735 174.600 0.090 0.000 1.022 340 S CA 1.266 59.527 58.200 0.100 0.000 0.983 340 S CB -0.596 62.680 63.200 0.127 0.000 0.803 340 S HN 0.642 nan 8.310 nan 0.000 0.480 341 H N 1.635 120.753 119.070 0.079 0.000 2.456 341 H HA 0.170 4.727 4.556 0.002 0.000 0.296 341 H C 0.864 176.231 175.328 0.064 0.000 1.079 341 H CA 0.471 56.553 56.048 0.056 0.000 1.322 341 H CB -0.905 28.881 29.762 0.039 0.000 1.388 341 H HN 0.392 nan 8.280 nan 0.000 0.538 342 L N 2.616 123.546 121.223 -0.488 0.000 2.452 342 L HA 0.062 4.403 4.340 0.001 0.000 0.267 342 L C 1.051 177.884 176.870 -0.062 0.000 1.188 342 L CA -0.162 54.523 54.840 -0.258 0.000 0.821 342 L CB 0.818 42.756 42.059 -0.202 0.000 1.102 342 L HN 0.289 nan 8.230 nan 0.000 0.470 343 S N -0.149 115.542 115.700 -0.015 0.000 2.645 343 S HA 0.154 4.625 4.470 0.001 0.000 0.266 343 S C 0.983 175.610 174.600 0.044 0.000 1.258 343 S CA -0.484 57.725 58.200 0.015 0.000 0.990 343 S CB 1.307 64.513 63.200 0.010 0.000 0.967 343 S HN 0.632 nan 8.310 nan 0.000 0.556 344 T N 1.617 116.206 114.554 0.059 0.000 2.746 344 T HA -0.090 4.260 4.350 0.001 0.000 0.267 344 T C 1.889 176.635 174.700 0.076 0.000 1.039 344 T CA 2.035 64.198 62.100 0.104 0.000 1.142 344 T CB -0.962 67.962 68.868 0.094 0.000 0.866 344 T HN 0.799 nan 8.240 nan 0.000 0.444 345 T N 1.958 116.529 114.554 0.028 0.000 2.708 345 T HA -0.072 4.279 4.350 0.001 0.000 0.266 345 T C 2.216 176.915 174.700 -0.002 0.000 1.037 345 T CA 0.959 63.056 62.100 -0.005 0.000 1.146 345 T CB -0.600 68.259 68.868 -0.015 0.000 0.865 345 T HN 0.165 nan 8.240 nan 0.000 0.435 346 V N 1.518 121.438 119.914 0.009 0.000 2.295 346 V HA -0.172 3.949 4.120 0.001 0.000 0.246 346 V C 2.503 178.643 176.094 0.077 0.000 1.049 346 V CA 1.582 63.888 62.300 0.011 0.000 1.024 346 V CB -0.504 31.319 31.823 0.000 0.000 0.648 346 V HN 0.447 nan 8.190 nan 0.000 0.447 347 K N -0.223 120.250 120.400 0.120 0.000 2.097 347 K HA -0.228 4.093 4.320 0.001 0.000 0.206 347 K C 2.367 179.127 176.600 0.266 0.000 1.049 347 K CA 1.523 57.929 56.287 0.199 0.000 0.933 347 K CB -0.215 32.414 32.500 0.215 0.000 0.717 347 K HN 0.176 nan 8.250 nan 0.000 0.442 348 R N 1.436 122.024 120.500 0.147 0.000 2.096 348 R HA -0.108 4.233 4.340 0.001 0.000 0.235 348 R C 1.786 178.063 176.300 -0.037 0.000 1.127 348 R CA 1.437 57.469 56.100 -0.112 0.000 0.968 348 R CB -0.008 30.119 30.300 -0.289 0.000 0.861 348 R HN 0.114 nan 8.270 nan 0.000 0.440 349 E N 0.201 120.403 120.200 0.003 0.000 2.158 349 E HA -0.109 4.241 4.350 0.001 0.000 0.191 349 E C 2.008 178.639 176.600 0.052 0.000 0.982 349 E CA 0.629 57.034 56.400 0.008 0.000 0.823 349 E CB -0.186 29.508 29.700 -0.010 0.000 0.766 349 E HN 0.375 nan 8.360 nan 0.000 0.468 350 L N 0.710 121.992 121.223 0.099 0.000 2.042 350 L HA -0.226 4.115 4.340 0.001 0.000 0.210 350 L C 2.450 179.383 176.870 0.105 0.000 1.076 350 L CA 1.245 56.163 54.840 0.130 0.000 0.749 350 L CB -0.492 41.668 42.059 0.168 0.000 0.893 350 L HN 0.084 nan 8.230 nan 0.000 0.432 351 A N -0.020 122.866 122.820 0.110 0.000 1.958 351 A HA -0.223 4.097 4.320 0.001 0.000 0.221 351 A C 2.212 179.832 177.584 0.061 0.000 1.178 351 A CA 1.938 54.031 52.037 0.093 0.000 0.642 351 A CB -1.163 17.906 19.000 0.115 0.000 0.816 351 A HN 0.510 nan 8.150 nan 0.000 0.453 352 G N -2.127 106.701 108.800 0.047 0.000 2.744 352 G HA2 0.206 4.166 3.960 0.001 0.000 0.211 352 G HA3 0.206 4.166 3.960 0.001 0.000 0.211 352 G C 1.023 175.944 174.900 0.036 0.000 1.143 352 G CA 1.081 46.200 45.100 0.031 0.000 0.788 352 G HN 0.372 nan 8.290 nan 0.000 0.534 353 V N -0.587 119.357 119.914 0.050 0.000 3.431 353 V HA 0.307 4.427 4.120 0.001 0.000 0.255 353 V C 0.728 176.854 176.094 0.053 0.000 1.403 353 V CA -0.433 61.899 62.300 0.053 0.000 1.101 353 V CB 0.333 32.196 31.823 0.068 0.000 0.891 353 V HN 0.182 nan 8.190 nan 0.000 0.446 354 L N 1.283 122.541 121.223 0.059 0.000 2.559 354 L HA 0.091 4.432 4.340 0.001 0.000 0.282 354 L C -0.241 176.658 176.870 0.050 0.000 1.232 354 L CA 1.355 56.224 54.840 0.048 0.000 0.885 354 L CB 0.137 42.229 42.059 0.055 0.000 1.131 354 L HN 0.132 nan 8.230 nan 0.000 0.498 355 I N 4.653 125.243 120.570 0.035 0.000 2.433 355 I HA 0.246 4.416 4.170 0.001 0.000 0.292 355 I C -0.624 175.558 176.117 0.108 0.000 1.001 355 I CA -0.567 60.770 61.300 0.061 0.000 1.119 355 I CB 1.412 39.424 38.000 0.020 0.000 1.289 355 I HN 0.396 nan 8.210 nan 0.000 0.438 356 F N 6.190 126.144 119.950 0.007 0.000 2.385 356 F HA 0.507 5.034 4.527 0.001 0.000 0.336 356 F C -0.057 175.770 175.800 0.045 0.000 1.100 356 F CA -0.082 57.929 58.000 0.018 0.000 1.116 356 F CB 0.889 39.877 39.000 -0.021 0.000 1.166 356 F HN 0.459 nan 8.300 nan 0.000 0.511 357 E N 3.466 123.221 120.200 -0.741 0.000 2.291 357 E HA 0.382 4.733 4.350 0.001 0.000 0.276 357 E C -1.817 174.499 176.600 -0.474 0.000 0.896 357 E CA -0.615 55.555 56.400 -0.384 0.000 0.774 357 E CB 1.510 31.218 29.700 0.013 0.000 1.227 357 E HN 0.668 nan 8.360 nan 0.000 0.413 358 S N 3.643 119.138 115.700 -0.342 0.000 2.500 358 S HA 0.554 5.025 4.470 0.001 0.000 0.301 358 S C -0.884 173.636 174.600 -0.134 0.000 1.092 358 S CA -0.814 57.356 58.200 -0.049 0.000 1.030 358 S CB 1.280 64.561 63.200 0.135 0.000 1.031 358 S HN 0.510 nan 8.310 nan 0.000 0.483 359 H N 1.471 120.645 119.070 0.174 0.000 2.529 359 H HA 0.553 5.110 4.556 0.001 0.000 0.348 359 H C 0.783 176.168 175.328 0.095 0.000 1.079 359 H CA -0.482 55.646 56.048 0.133 0.000 1.198 359 H CB 2.118 31.973 29.762 0.155 0.000 1.521 359 H HN 0.817 nan 8.280 nan 0.000 0.514 360 A N 3.306 126.224 122.820 0.164 0.000 1.935 360 A HA -0.047 4.273 4.320 0.001 0.000 0.214 360 A C 1.021 178.656 177.584 0.084 0.000 1.178 360 A CA 1.002 53.102 52.037 0.105 0.000 0.640 360 A CB 0.095 19.145 19.000 0.082 0.000 0.825 360 A HN 0.434 nan 8.150 nan 0.000 0.447 361 K N 0.133 120.588 120.400 0.091 0.000 2.413 361 K HA 0.517 4.838 4.320 0.001 0.000 0.257 361 K C 0.104 176.728 176.600 0.039 0.000 0.946 361 K CA 0.018 56.338 56.287 0.055 0.000 0.823 361 K CB 1.074 33.603 32.500 0.047 0.000 1.109 361 K HN 0.147 nan 8.250 nan 0.000 0.427 362 G N 1.506 110.318 108.800 0.020 0.000 2.432 362 G HA2 0.379 4.339 3.960 0.001 0.000 0.239 362 G HA3 0.379 4.339 3.960 0.001 0.000 0.239 362 G C 0.793 175.684 174.900 -0.014 0.000 1.291 362 G CA 0.208 45.306 45.100 -0.002 0.000 0.863 362 G HN 1.250 nan 8.290 nan 0.000 0.560 363 G N 0.666 109.443 108.800 -0.038 0.000 2.213 363 G HA2 -0.254 3.707 3.960 0.001 0.000 0.236 363 G HA3 -0.254 3.707 3.960 0.001 0.000 0.236 363 G C 0.672 175.537 174.900 -0.059 0.000 0.991 363 G CA 0.446 45.519 45.100 -0.047 0.000 0.629 363 G HN 1.098 nan 8.290 nan 0.000 0.517 364 T N 1.753 116.273 114.554 -0.056 0.000 2.867 364 T HA 0.400 4.751 4.350 0.001 0.000 0.297 364 T C 0.712 175.323 174.700 -0.148 0.000 0.989 364 T CA 0.300 62.356 62.100 -0.073 0.000 1.159 364 T CB 1.706 70.547 68.868 -0.045 0.000 0.928 364 T HN 0.524 nan 8.240 nan 0.000 0.538 365 V N 6.163 125.997 119.914 -0.134 0.000 2.408 365 V HA 0.120 4.241 4.120 0.001 0.000 0.267 365 V C 1.152 177.110 176.094 -0.227 0.000 1.047 365 V CA -0.328 61.862 62.300 -0.182 0.000 0.937 365 V CB 1.006 32.761 31.823 -0.113 0.000 0.999 365 V HN 0.719 nan 8.190 nan 0.000 0.472 366 L N 5.923 126.915 121.223 -0.384 0.000 2.068 366 L HA 0.296 4.637 4.340 0.001 0.000 0.204 366 L C 0.317 177.077 176.870 -0.183 0.000 1.076 366 L CA 1.690 56.269 54.840 -0.436 0.000 0.753 366 L CB -0.005 41.595 42.059 -0.764 0.000 0.910 366 L HN 0.727 nan 8.230 nan 0.000 0.439 367 F N -2.763 117.090 119.950 -0.163 0.000 2.654 367 F HA 0.492 5.019 4.527 0.001 0.000 0.308 367 F C -0.842 174.921 175.800 -0.061 0.000 1.108 367 F CA -1.718 56.238 58.000 -0.072 0.000 0.957 367 F CB 0.389 39.381 39.000 -0.014 0.000 1.309 367 F HN -0.277 nan 8.300 nan 0.000 0.446 368 N N 1.603 120.458 118.700 0.258 0.000 2.443 368 N HA 0.168 4.909 4.740 0.001 0.000 0.295 368 N C -1.132 174.491 175.510 0.189 0.000 1.076 368 N CA -0.650 52.489 53.050 0.149 0.000 0.919 368 N CB 2.004 40.533 38.487 0.071 0.000 1.176 368 N HN 0.855 nan 8.380 nan 0.000 0.487 369 Q N 0.308 120.189 119.800 0.136 0.000 2.263 369 Q HA 0.148 4.489 4.340 0.001 0.000 0.289 369 Q C 0.745 176.773 176.000 0.047 0.000 1.061 369 Q CA 1.005 56.873 55.803 0.108 0.000 0.927 369 Q CB 0.024 28.814 28.738 0.088 0.000 1.154 369 Q HN 0.923 nan 8.270 nan 0.000 0.378 370 G N 3.150 111.972 108.800 0.035 0.000 2.213 370 G HA2 -0.225 3.735 3.960 0.001 0.000 0.226 370 G HA3 -0.225 3.735 3.960 0.001 0.000 0.226 370 G C -0.118 174.782 174.900 0.000 0.000 0.992 370 G CA 0.106 45.208 45.100 0.003 0.000 0.632 370 G HN 0.636 nan 8.290 nan 0.000 0.511 371 E N 0.538 120.746 120.200 0.014 0.000 2.369 371 E HA 0.397 4.748 4.350 0.001 0.000 0.255 371 E C 0.191 176.772 176.600 -0.031 0.000 1.172 371 E CA -0.491 55.911 56.400 0.003 0.000 0.932 371 E CB 0.754 30.473 29.700 0.033 0.000 1.040 371 E HN 0.351 nan 8.360 nan 0.000 0.454 372 E N 0.450 120.632 120.200 -0.031 0.000 2.265 372 E HA 0.073 4.423 4.350 0.001 0.000 0.272 372 E C -0.470 176.077 176.600 -0.087 0.000 1.067 372 E CA -0.393 55.980 56.400 -0.045 0.000 0.900 372 E CB 0.422 30.108 29.700 -0.025 0.000 1.017 372 E HN 0.583 nan 8.360 nan 0.000 0.431 373 G N 3.421 112.155 108.800 -0.110 0.000 2.494 373 G HA2 0.013 3.974 3.960 0.001 0.000 0.297 373 G HA3 0.013 3.974 3.960 0.001 0.000 0.297 373 G C 0.854 175.691 174.900 -0.105 0.000 0.971 373 G CA 0.006 45.007 45.100 -0.165 0.000 1.378 373 G HN 0.649 nan 8.290 nan 0.000 0.456 374 T N -1.168 113.327 114.554 -0.099 0.000 3.015 374 T HA 0.296 4.647 4.350 0.001 0.000 0.250 374 T C 0.971 175.640 174.700 -0.052 0.000 1.057 374 T CA 0.175 62.245 62.100 -0.050 0.000 1.066 374 T CB 0.440 69.293 68.868 -0.025 0.000 0.959 374 T HN 0.301 nan 8.240 nan 0.000 0.488 375 S N 0.102 115.757 115.700 -0.074 0.000 2.564 375 S HA 0.578 5.049 4.470 0.001 0.000 0.274 375 S C -2.093 172.464 174.600 -0.072 0.000 1.124 375 S CA -1.062 57.058 58.200 -0.133 0.000 0.869 375 S CB 1.809 64.826 63.200 -0.305 0.000 1.105 375 S HN 0.475 nan 8.310 nan 0.000 0.472 376 W N 2.664 123.759 121.300 -0.341 0.000 2.520 376 W HA 0.721 5.381 4.660 0.001 0.000 0.323 376 W C -2.104 174.152 176.519 -0.437 0.000 1.062 376 W CA -1.178 55.999 57.345 -0.279 0.000 1.215 376 W CB 0.422 29.726 29.460 -0.260 0.000 1.340 376 W HN 0.622 nan 8.180 nan 0.000 0.516 377 Y N 5.952 125.848 120.300 -0.674 0.000 2.446 377 Y HA 0.628 5.179 4.550 0.001 0.000 0.345 377 Y C -0.154 175.178 175.900 -0.947 0.000 0.984 377 Y CA -0.980 56.620 58.100 -0.834 0.000 1.058 377 Y CB 1.732 39.519 38.460 -1.122 0.000 1.220 377 Y HN 0.122 nan 8.280 nan 0.000 0.455 378 I N 3.914 124.234 120.570 -0.417 0.000 2.533 378 I HA 0.374 4.545 4.170 0.001 0.000 0.290 378 I C -0.899 175.243 176.117 0.041 0.000 1.056 378 I CA -0.653 60.498 61.300 -0.249 0.000 1.057 378 I CB 1.941 39.725 38.000 -0.360 0.000 1.240 378 I HN 0.429 nan 8.210 nan 0.000 0.423 379 I N 6.586 127.219 120.570 0.104 0.000 2.363 379 I HA 0.136 4.307 4.170 0.001 0.000 0.292 379 I C 0.950 177.052 176.117 -0.025 0.000 1.075 379 I CA -0.009 61.309 61.300 0.029 0.000 1.333 379 I CB 0.738 38.791 38.000 0.088 0.000 1.415 379 I HN 0.600 nan 8.210 nan 0.000 0.502 380 L N 5.361 126.549 121.223 -0.059 0.000 2.249 380 L HA 0.167 4.507 4.340 0.001 0.000 0.207 380 L C 0.851 177.732 176.870 0.019 0.000 1.090 380 L CA 0.750 55.611 54.840 0.035 0.000 0.802 380 L CB -0.097 42.052 42.059 0.151 0.000 0.947 380 L HN 0.532 nan 8.230 nan 0.000 0.453 381 K N -0.570 119.777 120.400 -0.089 0.000 2.525 381 K HA 0.520 4.841 4.320 0.001 0.000 0.254 381 K C -0.443 176.003 176.600 -0.257 0.000 0.934 381 K CA 0.125 56.329 56.287 -0.139 0.000 0.802 381 K CB 1.963 34.350 32.500 -0.188 0.000 1.295 381 K HN 0.061 nan 8.250 nan 0.000 0.433 382 G N 1.148 109.854 108.800 -0.157 0.000 2.512 382 G HA2 -0.007 3.954 3.960 0.001 0.000 0.210 382 G HA3 -0.007 3.954 3.960 0.001 0.000 0.210 382 G C -1.229 173.609 174.900 -0.104 0.000 1.295 382 G CA -0.336 44.679 45.100 -0.143 0.000 0.934 382 G HN 1.320 nan 8.290 nan 0.000 0.554 383 S N -1.802 113.824 115.700 -0.124 0.000 2.570 383 S HA 0.926 5.397 4.470 0.001 0.000 0.270 383 S C -0.525 173.983 174.600 -0.154 0.000 1.149 383 S CA 0.300 58.377 58.200 -0.206 0.000 0.837 383 S CB 1.740 64.731 63.200 -0.349 0.000 1.124 383 S HN 2.430 nan 8.310 nan 0.000 0.465 384 V N -0.776 119.015 119.914 -0.205 0.000 3.040 384 V HA 0.721 4.842 4.120 0.001 0.000 0.312 384 V C -1.294 174.650 176.094 -0.250 0.000 1.115 384 V CA -1.027 61.139 62.300 -0.224 0.000 0.998 384 V CB 1.999 33.621 31.823 -0.335 0.000 1.042 384 V HN 0.916 nan 8.190 nan 0.000 0.433 385 N N 1.355 119.909 118.700 -0.242 0.000 2.419 385 N HA 0.538 5.279 4.740 0.001 0.000 0.277 385 N C -0.749 174.606 175.510 -0.258 0.000 1.006 385 N CA -0.254 52.676 53.050 -0.199 0.000 0.923 385 N CB 2.048 40.448 38.487 -0.145 0.000 1.140 385 N HN 0.676 nan 8.380 nan 0.000 0.488 386 V N 2.594 122.385 119.914 -0.206 0.000 2.406 386 V HA 0.278 4.399 4.120 0.001 0.000 0.272 386 V C 0.309 176.320 176.094 -0.139 0.000 1.043 386 V CA -0.591 61.590 62.300 -0.197 0.000 0.915 386 V CB 1.177 32.922 31.823 -0.128 0.000 0.988 386 V HN 0.273 nan 8.190 nan 0.000 0.466 387 V N 6.754 126.588 119.914 -0.133 0.000 2.448 387 V HA 0.513 4.634 4.120 0.001 0.000 0.295 387 V C -0.331 175.740 176.094 -0.038 0.000 1.025 387 V CA -0.494 61.749 62.300 -0.094 0.000 0.859 387 V CB 1.818 33.586 31.823 -0.092 0.000 0.988 387 V HN 0.683 nan 8.190 nan 0.000 0.431 388 I N 4.526 125.078 120.570 -0.030 0.000 2.339 388 I HA 0.333 4.503 4.170 0.001 0.000 0.290 388 I C -0.284 175.866 176.117 0.056 0.000 0.994 388 I CA -0.557 60.763 61.300 0.034 0.000 1.191 388 I CB 1.255 39.276 38.000 0.036 0.000 1.343 388 I HN 0.630 nan 8.210 nan 0.000 0.458 389 Y N 6.493 126.788 120.300 -0.008 0.000 2.810 389 Y HA 0.255 4.806 4.550 0.001 0.000 0.332 389 Y C 1.382 177.285 175.900 0.006 0.000 1.243 389 Y CA 1.438 59.536 58.100 -0.004 0.000 1.537 389 Y CB 0.359 38.821 38.460 0.004 0.000 1.265 389 Y HN 0.843 nan 8.280 nan 0.000 0.572 390 G N 1.980 110.461 108.800 -0.532 0.000 2.195 390 G HA2 -0.336 3.625 3.960 0.001 0.000 0.246 390 G HA3 -0.336 3.625 3.960 0.001 0.000 0.246 390 G C 0.584 175.402 174.900 -0.137 0.000 0.984 390 G CA 0.676 45.573 45.100 -0.338 0.000 0.633 390 G HN 1.094 nan 8.290 nan 0.000 0.525 391 K N -0.769 119.573 120.400 -0.097 0.000 2.548 391 K HA 0.760 5.081 4.320 0.001 0.000 0.209 391 K C 2.381 178.921 176.600 -0.099 0.000 1.420 391 K CA 1.724 57.995 56.287 -0.026 0.000 0.985 391 K CB 0.131 32.664 32.500 0.055 0.000 1.249 391 K HN 2.434 nan 8.250 nan 0.000 0.557 392 G N -0.655 108.065 108.800 -0.134 0.000 2.484 392 G HA2 -0.127 3.833 3.960 0.001 0.000 0.225 392 G HA3 -0.127 3.833 3.960 0.001 0.000 0.225 392 G C -0.287 174.508 174.900 -0.175 0.000 1.250 392 G CA -0.190 44.826 45.100 -0.140 0.000 0.926 392 G HN 0.876 nan 8.290 nan 0.000 0.581 393 V N 1.464 121.284 119.914 -0.157 0.000 2.415 393 V HA 0.293 4.414 4.120 0.001 0.000 0.267 393 V C 1.688 177.661 176.094 -0.202 0.000 1.042 393 V CA 0.430 62.648 62.300 -0.137 0.000 1.000 393 V CB 0.832 32.614 31.823 -0.068 0.000 1.015 393 V HN 0.801 nan 8.190 nan 0.000 0.478 394 V N 4.261 124.053 119.914 -0.204 0.000 2.535 394 V HA -0.013 4.107 4.120 0.001 0.000 0.246 394 V C 0.844 176.950 176.094 0.019 0.000 1.045 394 V CA 1.507 63.686 62.300 -0.203 0.000 1.058 394 V CB 0.339 32.094 31.823 -0.112 0.000 0.689 394 V HN 1.074 nan 8.190 nan 0.000 0.461 395 C N -1.821 117.494 119.300 0.024 0.000 3.306 395 C HA 0.698 5.159 4.460 0.001 0.000 0.335 395 C C -0.273 174.743 174.990 0.045 0.000 1.382 395 C CA -0.216 58.857 59.018 0.091 0.000 1.254 395 C CB 1.106 28.908 27.740 0.103 0.000 1.555 395 C HN 0.370 nan 8.230 nan 0.000 0.463 396 T N 0.281 114.891 114.554 0.094 0.000 2.807 396 T HA 0.723 5.074 4.350 0.001 0.000 0.279 396 T C -0.769 173.949 174.700 0.030 0.000 0.993 396 T CA -0.522 61.591 62.100 0.023 0.000 0.970 396 T CB 0.934 69.845 68.868 0.071 0.000 0.950 396 T HN 0.829 nan 8.240 nan 0.000 0.441 397 L N 2.816 123.976 121.223 -0.105 0.000 2.331 397 L HA 0.693 5.033 4.340 0.001 0.000 0.275 397 L C -0.017 176.724 176.870 -0.216 0.000 1.022 397 L CA -1.071 53.761 54.840 -0.013 0.000 0.812 397 L CB 1.474 43.568 42.059 0.058 0.000 1.257 397 L HN 0.764 nan 8.230 nan 0.000 0.435 398 H N -1.270 117.845 119.070 0.074 0.000 3.024 398 H HA 0.258 4.814 4.556 0.001 0.000 0.305 398 H C -0.846 174.513 175.328 0.050 0.000 1.506 398 H CA -0.919 55.161 56.048 0.052 0.000 1.324 398 H CB 0.815 30.603 29.762 0.044 0.000 1.925 398 H HN 0.514 nan 8.280 nan 0.000 0.661 399 E N 0.446 120.745 120.200 0.165 0.000 2.558 399 E HA 0.093 4.444 4.350 0.001 0.000 0.255 399 E C 0.510 177.163 176.600 0.088 0.000 0.968 399 E CA 1.182 57.632 56.400 0.083 0.000 0.939 399 E CB -0.221 29.513 29.700 0.057 0.000 0.921 399 E HN 0.860 nan 8.360 nan 0.000 0.477 400 G N 4.284 113.129 108.800 0.075 0.000 2.279 400 G HA2 -0.217 3.744 3.960 0.001 0.000 0.223 400 G HA3 -0.217 3.744 3.960 0.001 0.000 0.223 400 G C -0.098 174.859 174.900 0.096 0.000 1.015 400 G CA 0.096 45.241 45.100 0.075 0.000 0.621 400 G HN 0.649 nan 8.290 nan 0.000 0.506 401 D N 2.344 122.821 120.400 0.129 0.000 2.357 401 D HA 0.489 5.130 4.640 0.001 0.000 0.242 401 D C 0.170 176.586 176.300 0.194 0.000 1.153 401 D CA 0.683 54.780 54.000 0.163 0.000 0.918 401 D CB 1.039 41.950 40.800 0.186 0.000 1.181 401 D HN 0.641 nan 8.370 nan 0.000 0.435 402 D N -0.742 119.797 120.400 0.231 0.000 2.547 402 D HA 0.582 5.223 4.640 0.001 0.000 0.231 402 D C -0.830 175.704 176.300 0.390 0.000 1.099 402 D CA -0.688 53.445 54.000 0.221 0.000 0.901 402 D CB 1.733 42.684 40.800 0.250 0.000 1.478 402 D HN 0.339 nan 8.370 nan 0.000 0.471 403 F N -3.421 116.722 119.950 0.320 0.000 2.711 403 F HA 0.624 5.151 4.527 0.001 0.000 0.313 403 F C 0.638 176.737 175.800 0.498 0.000 1.141 403 F CA -0.441 57.757 58.000 0.329 0.000 0.941 403 F CB 1.326 40.446 39.000 0.200 0.000 1.349 403 F HN 0.603 nan 8.300 nan 0.000 0.464 404 G N 1.159 110.339 108.800 0.634 0.000 2.160 404 G HA2 -0.305 3.655 3.960 0.001 0.000 0.244 404 G HA3 -0.305 3.655 3.960 0.001 0.000 0.244 404 G C 0.481 175.545 174.900 0.273 0.000 1.022 404 G CA 0.387 45.768 45.100 0.468 0.000 0.741 404 G HN 0.879 nan 8.290 nan 0.000 0.508 405 K N -0.891 119.617 120.400 0.180 0.000 2.209 405 K HA 0.097 4.417 4.320 0.001 0.000 0.204 405 K C 2.364 178.861 176.600 -0.171 0.000 1.048 405 K CA 1.231 57.417 56.287 -0.168 0.000 0.940 405 K CB -0.040 32.345 32.500 -0.192 0.000 0.729 405 K HN 0.364 nan 8.250 nan 0.000 0.451 406 L N 1.189 122.379 121.223 -0.055 0.000 2.265 406 L HA -0.074 4.267 4.340 0.001 0.000 0.215 406 L C 2.140 178.970 176.870 -0.068 0.000 1.117 406 L CA 1.188 55.994 54.840 -0.057 0.000 0.782 406 L CB -0.502 41.547 42.059 -0.017 0.000 0.914 406 L HN 0.138 nan 8.230 nan 0.000 0.441 407 A N -0.920 121.859 122.820 -0.068 0.000 2.076 407 A HA -0.100 4.221 4.320 0.001 0.000 0.220 407 A C 1.801 179.345 177.584 -0.066 0.000 1.160 407 A CA 1.371 53.368 52.037 -0.066 0.000 0.653 407 A CB -0.651 18.313 19.000 -0.060 0.000 0.801 407 A HN 0.435 nan 8.150 nan 0.000 0.455 408 L N -0.436 120.712 121.223 -0.126 0.000 2.928 408 L HA 0.176 4.517 4.340 0.001 0.000 0.246 408 L C 0.603 177.427 176.870 -0.077 0.000 1.239 408 L CA -0.267 54.500 54.840 -0.123 0.000 1.035 408 L CB 0.513 42.358 42.059 -0.357 0.000 1.360 408 L HN 0.182 nan 8.230 nan 0.000 0.529 409 V N -2.297 117.580 119.914 -0.061 0.000 3.141 409 V HA 0.262 4.383 4.120 0.001 0.000 0.225 409 V C 0.340 176.421 176.094 -0.021 0.000 1.352 409 V CA 0.171 62.446 62.300 -0.040 0.000 1.316 409 V CB 0.499 32.286 31.823 -0.059 0.000 1.126 409 V HN 0.346 nan 8.190 nan 0.000 0.493 410 N N 0.356 119.041 118.700 -0.025 0.000 2.701 410 N HA 0.392 5.132 4.740 0.001 0.000 0.290 410 N C -0.784 174.716 175.510 -0.016 0.000 1.338 410 N CA -0.415 52.625 53.050 -0.017 0.000 0.799 410 N CB 1.265 39.742 38.487 -0.018 0.000 1.491 410 N HN 0.086 nan 8.380 nan 0.000 0.540 411 D N -0.319 120.073 120.400 -0.013 0.000 2.363 411 D HA 0.266 4.907 4.640 0.001 0.000 0.214 411 D C 0.210 176.500 176.300 -0.017 0.000 1.093 411 D CA -0.175 53.817 54.000 -0.014 0.000 0.837 411 D CB 0.236 41.031 40.800 -0.009 0.000 0.948 411 D HN 0.564 nan 8.370 nan 0.000 0.507 412 A N 1.693 124.502 122.820 -0.018 0.000 2.466 412 A HA 0.386 4.707 4.320 0.001 0.000 0.238 412 A C -1.984 175.586 177.584 -0.024 0.000 1.074 412 A CA -0.795 51.232 52.037 -0.016 0.000 0.774 412 A CB -0.017 18.976 19.000 -0.011 0.000 1.015 412 A HN -0.007 nan 8.150 nan 0.000 0.498 413 P HA 0.275 nan 4.420 nan 0.000 0.276 413 P C -0.526 176.759 177.300 -0.026 0.000 1.261 413 P CA -0.720 62.364 63.100 -0.026 0.000 0.800 413 P CB 0.391 32.082 31.700 -0.015 0.000 1.066 414 R N 0.514 120.989 120.500 -0.041 0.000 2.537 414 R HA 0.115 4.456 4.340 0.001 0.000 0.281 414 R C 1.035 177.367 176.300 0.054 0.000 0.988 414 R CA 0.259 56.348 56.100 -0.019 0.000 1.077 414 R CB -0.661 29.628 30.300 -0.019 0.000 0.932 414 R HN 0.575 nan 8.270 nan 0.000 0.409 415 A N 1.568 124.436 122.820 0.080 0.000 2.238 415 A HA 0.363 4.683 4.320 0.001 0.000 0.210 415 A C 0.602 178.252 177.584 0.110 0.000 1.179 415 A CA 1.022 53.109 52.037 0.083 0.000 0.827 415 A CB 0.287 19.329 19.000 0.071 0.000 0.856 415 A HN 0.739 nan 8.150 nan 0.000 0.488 416 A N -1.503 121.415 122.820 0.164 0.000 2.588 416 A HA 0.720 5.040 4.320 0.001 0.000 0.290 416 A C -0.466 177.221 177.584 0.171 0.000 1.136 416 A CA -0.331 51.789 52.037 0.138 0.000 0.681 416 A CB 0.498 19.556 19.000 0.096 0.000 1.282 416 A HN 0.198 nan 8.150 nan 0.000 0.421 417 S N 0.099 115.814 115.700 0.025 0.000 2.593 417 S HA 0.713 5.184 4.470 0.001 0.000 0.297 417 S C -0.701 173.686 174.600 -0.355 0.000 1.112 417 S CA -0.447 57.688 58.200 -0.108 0.000 1.043 417 S CB 1.010 64.167 63.200 -0.071 0.000 1.054 417 S HN 0.472 nan 8.310 nan 0.000 0.516 418 I N 2.823 122.994 120.570 -0.665 0.000 2.410 418 I HA 0.399 4.570 4.170 0.001 0.000 0.286 418 I C -0.768 175.008 176.117 -0.567 0.000 1.009 418 I CA -0.573 60.254 61.300 -0.787 0.000 1.111 418 I CB 1.239 38.443 38.000 -1.327 0.000 1.262 418 I HN 0.279 nan 8.210 nan 0.000 0.443 419 V N 6.772 126.442 119.914 -0.406 0.000 2.448 419 V HA 0.356 4.477 4.120 0.001 0.000 0.295 419 V C 0.173 176.120 176.094 -0.245 0.000 1.025 419 V CA -0.875 61.256 62.300 -0.281 0.000 0.859 419 V CB 2.101 33.811 31.823 -0.188 0.000 0.988 419 V HN 0.415 nan 8.190 nan 0.000 0.431 420 L N 4.523 125.628 121.223 -0.195 0.000 2.499 420 L HA 0.204 4.545 4.340 0.001 0.000 0.273 420 L C 1.589 178.406 176.870 -0.089 0.000 1.195 420 L CA 0.845 55.619 54.840 -0.109 0.000 0.882 420 L CB -0.048 41.979 42.059 -0.054 0.000 1.133 420 L HN 0.628 nan 8.230 nan 0.000 0.483 421 R N 1.850 122.301 120.500 -0.083 0.000 2.223 421 R HA 0.091 4.432 4.340 0.001 0.000 0.198 421 R C -0.037 176.240 176.300 -0.038 0.000 0.984 421 R CA 0.518 56.577 56.100 -0.070 0.000 1.018 421 R CB 0.479 30.721 30.300 -0.097 0.000 0.945 421 R HN 0.856 nan 8.270 nan 0.000 0.479 422 E N -0.759 119.422 120.200 -0.032 0.000 2.456 422 E HA 0.236 4.587 4.350 0.001 0.000 0.276 422 E C -1.420 175.174 176.600 -0.009 0.000 0.981 422 E CA -1.091 55.300 56.400 -0.016 0.000 0.814 422 E CB 0.901 30.593 29.700 -0.013 0.000 1.382 422 E HN -0.180 nan 8.360 nan 0.000 0.459 423 D N 0.811 121.210 120.400 -0.003 0.000 2.362 423 D HA 0.092 4.733 4.640 0.001 0.000 0.242 423 D C 0.062 176.352 176.300 -0.017 0.000 1.132 423 D CA 0.370 54.373 54.000 0.006 0.000 0.907 423 D CB 0.299 41.106 40.800 0.012 0.000 1.195 423 D HN 0.619 nan 8.370 nan 0.000 0.429 424 N N 0.199 118.897 118.700 -0.002 0.000 2.681 424 N HA -0.190 4.551 4.740 0.001 0.000 0.259 424 N C -1.511 173.885 175.510 -0.190 0.000 1.066 424 N CA 0.175 53.194 53.050 -0.052 0.000 0.717 424 N CB -1.208 37.245 38.487 -0.056 0.000 0.885 424 N HN 0.280 nan 8.380 nan 0.000 0.547 425 C N 2.074 121.310 119.300 -0.107 0.000 2.350 425 C HA 0.462 4.923 4.460 0.001 0.000 0.348 425 C C 0.281 175.134 174.990 -0.229 0.000 1.260 425 C CA -0.768 58.103 59.018 -0.245 0.000 1.966 425 C CB 0.579 28.233 27.740 -0.142 0.000 2.380 425 C HN 0.442 nan 8.230 nan 0.000 0.535 426 H N 1.511 120.351 119.070 -0.383 0.000 2.472 426 H HA 0.656 5.213 4.556 0.001 0.000 0.338 426 H C -0.776 174.162 175.328 -0.650 0.000 1.133 426 H CA -0.565 55.260 56.048 -0.372 0.000 1.216 426 H CB 0.931 30.648 29.762 -0.074 0.000 1.497 426 H HN 0.518 nan 8.280 nan 0.000 0.500 427 F N 1.165 121.083 119.950 -0.053 0.000 2.576 427 F HA 0.293 4.821 4.527 0.001 0.000 0.313 427 F C -0.447 175.299 175.800 -0.089 0.000 1.078 427 F CA -1.004 56.996 58.000 -0.000 0.000 0.921 427 F CB 1.676 40.765 39.000 0.149 0.000 1.232 427 F HN 0.189 nan 8.300 nan 0.000 0.459 428 L N 2.999 124.296 121.223 0.125 0.000 2.295 428 L HA 0.566 4.907 4.340 0.001 0.000 0.285 428 L C -0.480 176.307 176.870 -0.139 0.000 1.035 428 L CA -0.390 54.452 54.840 0.003 0.000 0.806 428 L CB 1.207 43.236 42.059 -0.050 0.000 1.214 428 L HN 0.602 nan 8.230 nan 0.000 0.426 429 R N 3.000 123.397 120.500 -0.171 0.000 2.621 429 R HA 0.791 5.132 4.340 0.001 0.000 0.292 429 R C -1.825 174.324 176.300 -0.251 0.000 0.969 429 R CA -0.640 55.246 56.100 -0.356 0.000 0.887 429 R CB 1.893 31.982 30.300 -0.353 0.000 1.180 429 R HN 0.439 nan 8.270 nan 0.000 0.450 430 V N 3.905 123.654 119.914 -0.274 0.000 2.483 430 V HA 0.252 4.373 4.120 0.001 0.000 0.297 430 V C -0.756 175.305 176.094 -0.056 0.000 1.027 430 V CA -0.965 61.290 62.300 -0.075 0.000 0.855 430 V CB 1.790 33.650 31.823 0.062 0.000 0.995 430 V HN 0.746 nan 8.190 nan 0.000 0.424 431 D N 2.980 123.376 120.400 -0.008 0.000 2.264 431 D HA 0.199 4.840 4.640 0.001 0.000 0.249 431 D C 0.970 177.312 176.300 0.070 0.000 1.070 431 D CA -0.380 53.622 54.000 0.003 0.000 0.912 431 D CB 1.943 42.746 40.800 0.005 0.000 1.193 431 D HN 0.513 nan 8.370 nan 0.000 0.427 432 K N 1.670 122.099 120.400 0.048 0.000 2.063 432 K HA -0.204 4.117 4.320 0.001 0.000 0.208 432 K C 1.138 177.796 176.600 0.096 0.000 1.048 432 K CA 1.435 57.769 56.287 0.078 0.000 0.928 432 K CB 0.173 32.692 32.500 0.033 0.000 0.713 432 K HN 0.372 nan 8.250 nan 0.000 0.442 433 E N 0.347 120.584 120.200 0.062 0.000 2.077 433 E HA -0.174 4.177 4.350 0.001 0.000 0.193 433 E C 1.758 178.395 176.600 0.061 0.000 0.989 433 E CA 1.503 57.933 56.400 0.050 0.000 0.800 433 E CB 0.039 29.758 29.700 0.031 0.000 0.746 433 E HN 0.367 nan 8.360 nan 0.000 0.452 434 D N -0.061 120.388 120.400 0.083 0.000 2.123 434 D HA -0.122 4.519 4.640 0.001 0.000 0.200 434 D C 1.632 178.006 176.300 0.123 0.000 0.976 434 D CA 0.664 54.716 54.000 0.088 0.000 0.831 434 D CB -0.262 40.593 40.800 0.092 0.000 0.974 434 D HN 0.074 nan 8.370 nan 0.000 0.469 435 F N 1.879 121.842 119.950 0.021 0.000 2.186 435 F HA -0.102 4.426 4.527 0.001 0.000 0.299 435 F C 1.888 177.693 175.800 0.008 0.000 1.090 435 F CA 0.989 59.005 58.000 0.026 0.000 1.307 435 F CB -0.051 38.973 39.000 0.040 0.000 1.019 435 F HN -0.153 nan 8.300 nan 0.000 0.489 436 N N 0.285 119.016 118.700 0.051 0.000 2.216 436 N HA -0.148 4.592 4.740 0.001 0.000 0.183 436 N C 2.057 177.521 175.510 -0.077 0.000 1.017 436 N CA 0.971 53.998 53.050 -0.038 0.000 0.861 436 N CB -0.487 38.017 38.487 0.028 0.000 0.986 436 N HN 0.327 nan 8.380 nan 0.000 0.428 437 R N 0.922 121.397 120.500 -0.042 0.000 2.081 437 R HA 0.035 4.376 4.340 0.001 0.000 0.235 437 R C 2.169 178.422 176.300 -0.078 0.000 1.131 437 R CA 0.897 56.971 56.100 -0.044 0.000 0.960 437 R CB -0.235 30.055 30.300 -0.016 0.000 0.856 437 R HN 0.137 nan 8.270 nan 0.000 0.436 438 I N 0.809 121.313 120.570 -0.109 0.000 2.208 438 I HA -0.320 3.851 4.170 0.001 0.000 0.245 438 I C 2.186 178.184 176.117 -0.198 0.000 1.097 438 I CA 1.184 62.398 61.300 -0.143 0.000 1.363 438 I CB -0.163 37.745 38.000 -0.154 0.000 1.051 438 I HN 0.271 nan 8.210 nan 0.000 0.413 439 L N 0.596 121.648 121.223 -0.286 0.000 2.017 439 L HA -0.200 4.141 4.340 0.001 0.000 0.208 439 L C 2.828 179.611 176.870 -0.144 0.000 1.073 439 L CA 1.567 56.251 54.840 -0.261 0.000 0.745 439 L CB -0.612 41.259 42.059 -0.314 0.000 0.894 439 L HN 0.356 nan 8.230 nan 0.000 0.432 440 R N -0.774 119.660 120.500 -0.110 0.000 2.153 440 R HA -0.086 4.254 4.340 0.001 0.000 0.218 440 R C 1.389 177.654 176.300 -0.059 0.000 1.072 440 R CA 1.220 57.277 56.100 -0.071 0.000 0.990 440 R CB -0.472 29.797 30.300 -0.053 0.000 0.889 440 R HN 0.207 nan 8.270 nan 0.000 0.452 441 D N 1.439 121.801 120.400 -0.063 0.000 2.144 441 D HA -0.125 4.516 4.640 0.001 0.000 0.200 441 D C 2.046 178.317 176.300 -0.048 0.000 0.978 441 D CA 1.693 55.663 54.000 -0.050 0.000 0.833 441 D CB 0.065 40.837 40.800 -0.048 0.000 0.961 441 D HN 0.266 nan 8.370 nan 0.000 0.470 442 V N -0.757 119.120 119.914 -0.061 0.000 2.871 442 V HA -0.041 4.080 4.120 0.001 0.000 0.256 442 V C 2.039 178.108 176.094 -0.042 0.000 1.082 442 V CA 1.280 63.548 62.300 -0.052 0.000 1.105 442 V CB -0.194 31.591 31.823 -0.063 0.000 0.713 442 V HN -0.098 nan 8.190 nan 0.000 0.473 443 E N 1.940 122.111 120.200 -0.048 0.000 2.112 443 E HA 0.063 4.414 4.350 0.001 0.000 0.190 443 E C 2.073 178.657 176.600 -0.027 0.000 0.979 443 E CA 1.643 58.020 56.400 -0.039 0.000 0.814 443 E CB -0.586 29.088 29.700 -0.044 0.000 0.762 443 E HN 0.649 nan 8.360 nan 0.000 0.460 444 A N 0.159 122.963 122.820 -0.026 0.000 2.121 444 A HA -0.088 4.233 4.320 0.001 0.000 0.218 444 A C 1.878 179.458 177.584 -0.007 0.000 1.154 444 A CA 1.442 53.469 52.037 -0.017 0.000 0.679 444 A CB -0.598 18.391 19.000 -0.019 0.000 0.795 444 A HN 0.294 nan 8.150 nan 0.000 0.458 445 N N -1.121 117.575 118.700 -0.008 0.000 2.280 445 N HA 0.048 4.788 4.740 0.001 0.000 0.192 445 N C -0.474 175.049 175.510 0.022 0.000 1.109 445 N CA 0.345 53.399 53.050 0.007 0.000 0.855 445 N CB 0.244 38.727 38.487 -0.005 0.000 0.974 445 N HN 0.166 nan 8.380 nan 0.000 0.482 446 T N 0.249 114.805 114.554 0.004 0.000 2.795 446 T HA 0.418 4.769 4.350 0.001 0.000 0.282 446 T C -0.633 174.057 174.700 -0.017 0.000 0.980 446 T CA -0.490 61.606 62.100 -0.006 0.000 1.012 446 T CB 1.832 70.685 68.868 -0.025 0.000 0.936 446 T HN -0.254 nan 8.240 nan 0.000 0.457 447 V N 5.032 124.921 119.914 -0.042 0.000 2.417 447 V HA 0.519 4.639 4.120 0.001 0.000 0.291 447 V C 0.038 176.056 176.094 -0.126 0.000 1.024 447 V CA -0.913 61.334 62.300 -0.088 0.000 0.861 447 V CB 1.399 33.131 31.823 -0.151 0.000 0.985 447 V HN 0.739 nan 8.190 nan 0.000 0.436 448 R N 4.960 125.400 120.500 -0.101 0.000 2.409 448 R HA 0.618 4.959 4.340 0.001 0.000 0.313 448 R C -1.217 175.026 176.300 -0.096 0.000 0.953 448 R CA -0.592 55.450 56.100 -0.097 0.000 0.849 448 R CB 1.716 31.977 30.300 -0.066 0.000 1.171 448 R HN 0.585 nan 8.270 nan 0.000 0.458 449 L N 3.311 124.467 121.223 -0.112 0.000 2.326 449 L HA 0.426 4.767 4.340 0.001 0.000 0.278 449 L C 0.066 176.890 176.870 -0.077 0.000 1.092 449 L CA -0.231 54.551 54.840 -0.096 0.000 0.810 449 L CB 0.934 42.928 42.059 -0.108 0.000 1.153 449 L HN 0.435 nan 8.230 nan 0.000 0.439 450 K N 2.773 123.131 120.400 -0.071 0.000 2.422 450 K HA 0.530 4.850 4.320 0.001 0.000 0.251 450 K C -1.260 175.286 176.600 -0.091 0.000 0.933 450 K CA -0.755 55.494 56.287 -0.063 0.000 0.798 450 K CB 2.577 35.049 32.500 -0.047 0.000 1.238 450 K HN 0.463 nan 8.250 nan 0.000 0.428 451 E N 1.211 121.349 120.200 -0.103 0.000 2.218 451 E HA 0.221 4.572 4.350 0.001 0.000 0.263 451 E C -1.101 175.379 176.600 -0.199 0.000 0.879 451 E CA -0.566 55.693 56.400 -0.236 0.000 0.762 451 E CB 1.222 30.771 29.700 -0.251 0.000 1.166 451 E HN 0.667 nan 8.360 nan 0.000 0.415 452 H N 1.313 120.376 119.070 -0.011 0.000 2.861 452 H HA -0.187 4.370 4.556 0.001 0.000 0.289 452 H C -0.865 174.457 175.328 -0.010 0.000 1.176 452 H CA 0.615 56.657 56.048 -0.010 0.000 1.146 452 H CB -1.302 28.456 29.762 -0.007 0.000 1.330 452 H HN 0.722 nan 8.280 nan 0.000 0.379 453 D N 0.065 120.490 120.400 0.041 0.000 2.697 453 D HA -0.163 4.477 4.640 0.001 0.000 0.238 453 D C -0.487 175.830 176.300 0.029 0.000 1.152 453 D CA 1.185 55.198 54.000 0.021 0.000 0.666 453 D CB -0.219 40.593 40.800 0.020 0.000 1.037 453 D HN 0.501 nan 8.370 nan 0.000 0.423 454 Q N 0.323 120.139 119.800 0.026 0.000 2.331 454 Q HA 0.286 4.627 4.340 0.001 0.000 0.272 454 Q C -0.610 175.393 176.000 0.004 0.000 1.062 454 Q CA -0.767 55.052 55.803 0.026 0.000 0.806 454 Q CB 1.682 30.453 28.738 0.055 0.000 1.312 454 Q HN 0.069 nan 8.270 nan 0.000 0.431 455 D N 1.289 121.688 120.400 -0.002 0.000 2.493 455 D HA 0.006 4.647 4.640 0.001 0.000 0.240 455 D C 0.367 176.659 176.300 -0.012 0.000 1.142 455 D CA 0.444 54.434 54.000 -0.016 0.000 0.872 455 D CB 1.296 42.087 40.800 -0.015 0.000 1.173 455 D HN 0.239 nan 8.370 nan 0.000 0.467 456 V N 3.058 122.953 119.914 -0.032 0.000 3.426 456 V HA 0.246 4.366 4.120 0.001 0.000 0.271 456 V C -0.824 175.237 176.094 -0.056 0.000 1.530 456 V CA 0.022 62.306 62.300 -0.028 0.000 1.021 456 V CB 0.530 32.337 31.823 -0.027 0.000 0.824 456 V HN 0.379 nan 8.190 nan 0.000 0.432 457 L N 0.267 121.436 121.223 -0.089 0.000 2.588 457 L HA 0.636 4.977 4.340 0.001 0.000 0.263 457 L C -1.477 175.296 176.870 -0.161 0.000 0.935 457 L CA -0.211 54.541 54.840 -0.147 0.000 0.891 457 L CB 2.155 44.102 42.059 -0.187 0.000 1.318 457 L HN -0.150 nan 8.230 nan 0.000 0.409 458 V N 5.919 125.732 119.914 -0.168 0.000 2.448 458 V HA 0.616 4.737 4.120 0.001 0.000 0.295 458 V C -0.390 175.593 176.094 -0.186 0.000 1.025 458 V CA -0.466 61.746 62.300 -0.146 0.000 0.859 458 V CB 1.635 33.407 31.823 -0.086 0.000 0.988 458 V HN 0.601 nan 8.190 nan 0.000 0.431 459 L N 4.019 125.129 121.223 -0.189 0.000 2.381 459 L HA 0.657 4.998 4.340 0.001 0.000 0.268 459 L C -0.284 176.562 176.870 -0.041 0.000 0.997 459 L CA -0.580 54.151 54.840 -0.181 0.000 0.818 459 L CB 2.637 44.470 42.059 -0.375 0.000 1.310 459 L HN 0.559 nan 8.230 nan 0.000 0.416 460 E N 1.900 122.120 120.200 0.032 0.000 2.191 460 E HA 0.376 4.727 4.350 0.001 0.000 0.274 460 E C -1.053 175.640 176.600 0.155 0.000 0.948 460 E CA -0.915 55.529 56.400 0.072 0.000 0.802 460 E CB 2.337 32.057 29.700 0.033 0.000 1.137 460 E HN 0.377 nan 8.360 nan 0.000 0.397 461 K N 1.050 121.525 120.400 0.126 0.000 2.237 461 K HA 0.238 4.559 4.320 0.001 0.000 0.270 461 K C -0.646 175.943 176.600 -0.019 0.000 1.015 461 K CA -0.370 55.943 56.287 0.044 0.000 0.949 461 K CB 0.997 33.498 32.500 0.002 0.000 0.976 461 K HN 0.181 nan 8.250 nan 0.000 0.472 462 V N 5.206 125.072 119.914 -0.080 0.000 2.350 462 V HA 0.082 4.203 4.120 0.001 0.000 0.276 462 V C -1.079 174.972 176.094 -0.072 0.000 1.028 462 V CA -1.201 61.064 62.300 -0.059 0.000 0.860 462 V CB 0.821 32.615 31.823 -0.050 0.000 0.990 462 V HN 0.857 nan 8.190 nan 0.000 0.453 463 P HA 0.069 nan 4.420 nan 0.000 0.208 463 P C 0.673 177.945 177.300 -0.048 0.000 1.203 463 P CA 1.271 64.341 63.100 -0.050 0.000 0.920 463 P CB 0.036 31.711 31.700 -0.043 0.000 0.769 478 Q N 2.406 122.125 119.800 -0.136 0.000 2.444 478 Q HA 0.354 4.694 4.340 0.001 0.000 0.251 478 Q C -1.794 173.939 176.000 -0.445 0.000 0.939 478 Q CA -0.418 55.209 55.803 -0.294 0.000 0.740 478 Q CB 1.269 29.807 28.738 -0.334 0.000 1.308 478 Q HN 0.310 nan 8.270 nan 0.000 0.461 479 K N 2.264 122.469 120.400 -0.324 0.000 2.401 479 K HA 0.332 4.653 4.320 0.001 0.000 0.278 479 K C -1.073 175.306 176.600 -0.369 0.000 1.018 479 K CA 0.445 56.594 56.287 -0.230 0.000 0.981 479 K CB 0.436 32.876 32.500 -0.100 0.000 0.933 479 K HN 0.431 nan 8.250 nan 0.000 0.477 480 Y N -0.202 120.119 120.300 0.035 0.000 2.562 480 Y HA 0.397 4.948 4.550 0.001 0.000 0.343 480 Y C 0.099 176.007 175.900 0.013 0.000 1.025 480 Y CA -0.938 57.172 58.100 0.017 0.000 1.082 480 Y CB 2.152 40.627 38.460 0.025 0.000 1.264 480 Y HN 0.408 nan 8.280 nan 0.000 0.478 481 T N 1.900 116.550 114.554 0.161 0.000 2.779 481 T HA 0.423 4.774 4.350 0.001 0.000 0.280 481 T C -0.700 174.003 174.700 0.004 0.000 0.987 481 T CA -0.726 61.435 62.100 0.101 0.000 0.966 481 T CB 0.966 69.892 68.868 0.097 0.000 0.933 481 T HN 0.306 nan 8.240 nan 0.000 0.442 482 V N 5.469 125.359 119.914 -0.040 0.000 2.439 482 V HA 0.084 4.205 4.120 0.001 0.000 0.271 482 V C 0.969 177.093 176.094 0.051 0.000 1.040 482 V CA -0.152 62.034 62.300 -0.190 0.000 1.002 482 V CB 0.441 31.956 31.823 -0.514 0.000 1.000 482 V HN 0.868 nan 8.190 nan 0.000 0.477 483 M N 2.980 122.565 119.600 -0.025 0.000 2.398 483 M HA 0.169 4.649 4.480 0.001 0.000 0.261 483 M C 0.786 177.114 176.300 0.045 0.000 1.125 483 M CA 0.863 56.184 55.300 0.034 0.000 1.183 483 M CB -0.259 32.337 32.600 -0.007 0.000 1.322 483 M HN 0.816 nan 8.290 nan 0.000 0.467 484 S N -1.500 114.183 115.700 -0.028 0.000 2.588 484 S HA 0.819 5.290 4.470 0.001 0.000 0.269 484 S C -0.399 174.152 174.600 -0.081 0.000 1.157 484 S CA -0.175 58.009 58.200 -0.028 0.000 0.824 484 S CB 2.133 65.326 63.200 -0.011 0.000 1.126 484 S HN 0.601 nan 8.310 nan 0.000 0.464 485 G N 0.478 109.243 108.800 -0.059 0.000 2.313 485 G HA2 0.514 4.475 3.960 0.001 0.000 0.296 485 G HA3 0.514 4.475 3.960 0.001 0.000 0.296 485 G C -0.611 174.293 174.900 0.006 0.000 1.356 485 G CA -0.046 45.023 45.100 -0.051 0.000 0.833 485 G HN 1.542 nan 8.290 nan 0.000 0.552 486 T N -0.611 113.965 114.554 0.037 0.000 2.899 486 T HA 0.501 4.851 4.350 0.001 0.000 0.295 486 T C -1.437 173.349 174.700 0.143 0.000 1.033 486 T CA -0.834 61.329 62.100 0.105 0.000 1.084 486 T CB 1.786 70.711 68.868 0.096 0.000 0.979 486 T HN 0.163 nan 8.240 nan 0.000 0.532 487 P HA -0.171 nan 4.420 nan 0.000 0.216 487 P C 1.623 179.101 177.300 0.297 0.000 1.150 487 P CA 1.128 64.462 63.100 0.390 0.000 0.843 487 P CB 0.061 32.022 31.700 0.434 0.000 0.787 488 E N 0.033 120.354 120.200 0.202 0.000 2.106 488 E HA -0.159 4.192 4.350 0.001 0.000 0.192 488 E C 1.653 178.328 176.600 0.126 0.000 0.984 488 E CA 1.250 57.750 56.400 0.167 0.000 0.806 488 E CB -0.601 29.181 29.700 0.137 0.000 0.750 488 E HN 0.223 nan 8.360 nan 0.000 0.458 489 K N 0.850 121.298 120.400 0.079 0.000 2.186 489 K HA 0.163 4.483 4.320 0.001 0.000 0.202 489 K C 2.167 178.750 176.600 -0.029 0.000 1.052 489 K CA 0.280 56.579 56.287 0.020 0.000 0.965 489 K CB -0.168 32.323 32.500 -0.016 0.000 0.746 489 K HN 0.072 nan 8.250 nan 0.000 0.457 490 I N 0.439 120.995 120.570 -0.023 0.000 2.163 490 I HA -0.291 3.880 4.170 0.001 0.000 0.243 490 I C 2.044 178.141 176.117 -0.033 0.000 1.085 490 I CA 0.862 62.115 61.300 -0.078 0.000 1.347 490 I CB -0.233 37.766 38.000 -0.001 0.000 1.044 490 I HN 0.108 nan 8.210 nan 0.000 0.408 491 L N 0.905 122.124 121.223 -0.007 0.000 2.017 491 L HA -0.244 4.097 4.340 0.001 0.000 0.208 491 L C 2.446 179.165 176.870 -0.252 0.000 1.073 491 L CA 1.975 56.656 54.840 -0.266 0.000 0.745 491 L CB -0.728 41.261 42.059 -0.117 0.000 0.894 491 L HN 0.251 nan 8.230 nan 0.000 0.432 492 E N -1.592 118.544 120.200 -0.107 0.000 2.118 492 E HA -0.315 4.036 4.350 0.001 0.000 0.195 492 E C 2.226 178.774 176.600 -0.086 0.000 0.992 492 E CA 1.277 57.650 56.400 -0.044 0.000 0.804 492 E CB -0.293 29.466 29.700 0.099 0.000 0.741 492 E HN 0.732 nan 8.360 nan 0.000 0.458 493 H N -0.571 118.366 119.070 -0.222 0.000 2.299 493 H HA -0.124 4.433 4.556 0.001 0.000 0.302 493 H C 1.886 177.021 175.328 -0.323 0.000 1.078 493 H CA 1.763 57.623 56.048 -0.313 0.000 1.323 493 H CB -0.373 29.101 29.762 -0.479 0.000 1.381 493 H HN 0.243 nan 8.280 nan 0.000 0.498 494 F N 0.629 120.457 119.950 -0.204 0.000 2.269 494 F HA -0.154 4.373 4.527 0.001 0.000 0.301 494 F C 2.767 178.403 175.800 -0.273 0.000 1.082 494 F CA 0.397 58.245 58.000 -0.253 0.000 1.360 494 F CB -0.083 38.703 39.000 -0.356 0.000 1.041 494 F HN 0.090 nan 8.300 nan 0.000 0.512 495 L N -0.264 120.877 121.223 -0.138 0.000 2.005 495 L HA -0.198 4.143 4.340 0.001 0.000 0.207 495 L C 2.256 179.050 176.870 -0.127 0.000 1.072 495 L CA 1.492 56.241 54.840 -0.152 0.000 0.744 495 L CB -0.561 41.364 42.059 -0.224 0.000 0.895 495 L HN 0.074 nan 8.230 nan 0.000 0.433 496 E N -0.720 119.390 120.200 -0.150 0.000 2.204 496 E HA -0.180 4.171 4.350 0.001 0.000 0.195 496 E C 1.931 178.439 176.600 -0.152 0.000 0.990 496 E CA 1.622 57.943 56.400 -0.132 0.000 0.821 496 E CB -0.047 29.572 29.700 -0.135 0.000 0.750 496 E HN 0.462 nan 8.360 nan 0.000 0.477 497 T N 1.033 115.456 114.554 -0.218 0.000 2.995 497 T HA 0.011 4.362 4.350 0.001 0.000 0.269 497 T C 0.911 175.572 174.700 -0.065 0.000 1.091 497 T CA 0.212 62.211 62.100 -0.168 0.000 1.128 497 T CB -0.096 68.638 68.868 -0.224 0.000 0.891 497 T HN 0.062 nan 8.240 nan 0.000 0.492 498 I N 2.881 123.419 120.570 -0.053 0.000 2.872 498 I HA -0.003 4.168 4.170 0.001 0.000 0.287 498 I C 0.620 176.714 176.117 -0.038 0.000 1.197 498 I CA 0.015 61.295 61.300 -0.033 0.000 1.390 498 I CB 0.116 38.088 38.000 -0.047 0.000 1.400 498 I HN -0.088 nan 8.210 nan 0.000 0.544 499 R N 6.155 126.642 120.500 -0.022 0.000 2.221 499 R HA 0.328 4.669 4.340 0.001 0.000 0.327 499 R C 0.330 176.617 176.300 -0.022 0.000 1.033 499 R CA -0.185 55.903 56.100 -0.020 0.000 0.887 499 R CB 0.722 31.016 30.300 -0.009 0.000 1.057 499 R HN 0.636 nan 8.270 nan 0.000 0.455 500 L N 2.450 123.657 121.223 -0.027 0.000 2.509 500 L HA 0.168 4.509 4.340 0.001 0.000 0.222 500 L C 0.023 176.891 176.870 -0.003 0.000 1.123 500 L CA 0.183 55.004 54.840 -0.031 0.000 0.856 500 L CB -0.024 42.009 42.059 -0.043 0.000 0.985 500 L HN 0.628 nan 8.230 nan 0.000 0.456 501 E N 1.063 121.265 120.200 0.003 0.000 2.614 501 E HA -0.099 4.252 4.350 0.001 0.000 0.245 501 E C -1.533 175.078 176.600 0.019 0.000 1.039 501 E CA -0.606 55.803 56.400 0.014 0.000 0.948 501 E CB 0.345 30.051 29.700 0.010 0.000 0.937 501 E HN 0.029 nan 8.360 nan 0.000 0.498 502 P HA -0.226 nan 4.420 nan 0.000 0.219 502 P C 1.078 178.395 177.300 0.028 0.000 1.146 502 P CA 1.275 64.397 63.100 0.037 0.000 0.808 502 P CB 0.208 31.938 31.700 0.048 0.000 0.779 503 S N -0.713 115.001 115.700 0.023 0.000 2.383 503 S HA -0.080 4.391 4.470 0.001 0.000 0.227 503 S C 1.256 175.866 174.600 0.016 0.000 1.026 503 S CA 0.822 59.033 58.200 0.019 0.000 0.981 503 S CB -1.390 61.820 63.200 0.016 0.000 0.818 503 S HN 0.095 nan 8.310 nan 0.000 0.472 504 L N 2.591 123.823 121.223 0.014 0.000 2.934 504 L HA 0.348 4.688 4.340 0.001 0.000 0.233 504 L C 1.556 178.434 176.870 0.014 0.000 1.358 504 L CA -0.413 54.434 54.840 0.013 0.000 1.233 504 L CB -0.466 41.598 42.059 0.009 0.000 1.594 504 L HN 0.233 nan 8.230 nan 0.000 0.439 505 N N 1.406 120.117 118.700 0.018 0.000 2.109 505 N HA -0.213 4.528 4.740 0.001 0.000 0.188 505 N C 1.777 177.299 175.510 0.020 0.000 1.034 505 N CA 1.896 54.958 53.050 0.020 0.000 0.846 505 N CB 0.321 38.823 38.487 0.025 0.000 1.010 505 N HN 0.608 nan 8.380 nan 0.000 0.425 506 E N -0.931 119.282 120.200 0.020 0.000 2.250 506 E HA 0.154 4.505 4.350 0.001 0.000 0.192 506 E C 1.809 178.422 176.600 0.022 0.000 0.986 506 E CA 0.590 57.002 56.400 0.021 0.000 0.849 506 E CB -0.229 29.483 29.700 0.020 0.000 0.797 506 E HN 0.306 nan 8.360 nan 0.000 0.482 507 A N 1.511 124.344 122.820 0.021 0.000 1.972 507 A HA -0.119 4.202 4.320 0.001 0.000 0.219 507 A C 2.331 179.934 177.584 0.033 0.000 1.169 507 A CA 1.829 53.881 52.037 0.024 0.000 0.635 507 A CB -0.920 18.091 19.000 0.019 0.000 0.810 507 A HN 0.275 nan 8.150 nan 0.000 0.446 508 T N 0.160 114.730 114.554 0.027 0.000 2.777 508 T HA -0.096 4.255 4.350 0.001 0.000 0.266 508 T C 1.430 176.153 174.700 0.037 0.000 1.040 508 T CA 1.456 63.574 62.100 0.030 0.000 1.141 508 T CB -0.326 68.550 68.868 0.014 0.000 0.868 508 T HN 0.472 nan 8.240 nan 0.000 0.444 509 D N 0.713 121.132 120.400 0.031 0.000 2.149 509 D HA -0.023 4.617 4.640 0.001 0.000 0.201 509 D C 2.320 178.641 176.300 0.034 0.000 0.972 509 D CA 0.733 54.752 54.000 0.032 0.000 0.835 509 D CB -0.424 40.392 40.800 0.026 0.000 0.966 509 D HN 0.264 nan 8.370 nan 0.000 0.476 510 S N -0.016 115.704 115.700 0.035 0.000 2.368 510 S HA -0.114 4.356 4.470 0.001 0.000 0.225 510 S C 2.136 176.772 174.600 0.060 0.000 1.030 510 S CA 0.782 59.003 58.200 0.036 0.000 0.999 510 S CB -0.201 63.017 63.200 0.030 0.000 0.844 510 S HN 0.018 nan 8.310 nan 0.000 0.459 511 V N 1.788 121.752 119.914 0.084 0.000 2.343 511 V HA -0.096 4.025 4.120 0.001 0.000 0.247 511 V C 2.238 178.412 176.094 0.134 0.000 1.051 511 V CA 1.655 64.045 62.300 0.149 0.000 1.036 511 V CB -0.570 31.356 31.823 0.171 0.000 0.654 511 V HN 0.482 nan 8.190 nan 0.000 0.451 512 L N 0.109 121.370 121.223 0.063 0.000 2.478 512 L HA -0.059 4.282 4.340 0.001 0.000 0.223 512 L C 2.315 179.171 176.870 -0.022 0.000 1.140 512 L CA 0.762 55.584 54.840 -0.029 0.000 0.842 512 L CB -0.640 41.431 42.059 0.020 0.000 0.953 512 L HN 0.430 nan 8.230 nan 0.000 0.452 513 N N 0.397 119.106 118.700 0.015 0.000 2.166 513 N HA -0.200 4.541 4.740 0.001 0.000 0.186 513 N C 1.139 176.656 175.510 0.012 0.000 1.019 513 N CA 1.397 54.456 53.050 0.014 0.000 0.856 513 N CB 0.167 38.656 38.487 0.002 0.000 0.993 513 N HN 0.318 nan 8.380 nan 0.000 0.426 514 D N 0.079 120.500 120.400 0.036 0.000 2.117 514 D HA -0.137 4.504 4.640 0.001 0.000 0.197 514 D C 1.573 177.967 176.300 0.156 0.000 0.987 514 D CA 0.654 54.694 54.000 0.065 0.000 0.829 514 D CB -0.488 40.408 40.800 0.159 0.000 0.961 514 D HN 0.288 nan 8.370 nan 0.000 0.460 515 F N 1.144 121.090 119.950 -0.008 0.000 2.084 515 F HA -0.162 4.366 4.527 0.001 0.000 0.296 515 F C 2.266 178.147 175.800 0.136 0.000 1.111 515 F CA 0.965 59.024 58.000 0.099 0.000 1.224 515 F CB -0.453 38.298 39.000 -0.414 0.000 0.991 515 F HN -0.231 nan 8.300 nan 0.000 0.471 516 V N 0.919 120.937 119.914 0.174 0.000 2.392 516 V HA -0.355 3.766 4.120 0.001 0.000 0.249 516 V C 2.474 178.594 176.094 0.044 0.000 1.059 516 V CA 2.292 64.708 62.300 0.193 0.000 1.051 516 V CB -0.467 31.488 31.823 0.220 0.000 0.658 516 V HN 0.538 nan 8.190 nan 0.000 0.455 517 M N -1.750 117.807 119.600 -0.072 0.000 2.349 517 M HA -0.029 4.451 4.480 0.001 0.000 0.266 517 M C 1.589 177.708 176.300 -0.301 0.000 1.076 517 M CA 1.429 56.607 55.300 -0.204 0.000 1.126 517 M CB 0.138 32.636 32.600 -0.169 0.000 1.392 517 M HN 0.250 nan 8.290 nan 0.000 0.440 518 M N -1.299 118.162 119.600 -0.233 0.000 2.337 518 M HA 0.047 4.528 4.480 0.001 0.000 0.256 518 M C 1.756 177.815 176.300 -0.402 0.000 1.075 518 M CA 0.488 55.644 55.300 -0.240 0.000 1.024 518 M CB -1.033 31.535 32.600 -0.053 0.000 1.429 518 M HN 0.406 nan 8.290 nan 0.000 0.497 519 H N 0.275 118.962 119.070 -0.638 0.000 2.422 519 H HA -0.173 4.384 4.556 0.001 0.000 0.298 519 H C 2.028 176.844 175.328 -0.854 0.000 1.098 519 H CA 2.031 57.350 56.048 -1.215 0.000 1.315 519 H CB -0.933 28.142 29.762 -1.145 0.000 1.382 519 H HN 0.548 nan 8.280 nan 0.000 0.523 520 C N 0.765 119.512 119.300 -0.922 0.000 2.403 520 C HA -0.017 4.444 4.460 0.001 0.000 0.282 520 C C 2.729 177.668 174.990 -0.086 0.000 1.297 520 C CA 0.371 59.142 59.018 -0.411 0.000 1.785 520 C CB -1.403 26.117 27.740 -0.367 0.000 1.963 520 C HN 0.399 nan 8.230 nan 0.000 0.507 521 V N 1.342 121.099 119.914 -0.261 0.000 2.407 521 V HA -0.047 4.073 4.120 0.001 0.000 0.245 521 V C 2.283 178.389 176.094 0.020 0.000 1.041 521 V CA 2.467 64.678 62.300 -0.148 0.000 1.040 521 V CB -0.753 30.745 31.823 -0.541 0.000 0.671 521 V HN 0.725 nan 8.190 nan 0.000 0.455 522 F N -2.453 117.484 119.950 -0.021 0.000 2.694 522 F HA 0.495 5.023 4.527 0.001 0.000 0.292 522 F C 1.050 176.957 175.800 0.177 0.000 1.121 522 F CA -0.048 58.011 58.000 0.097 0.000 1.352 522 F CB 0.360 39.371 39.000 0.019 0.000 1.107 522 F HN -0.001 nan 8.300 nan 0.000 0.597 523 M N 3.636 123.051 119.600 -0.308 0.000 2.073 523 M HA 0.397 4.878 4.480 0.001 0.000 0.218 523 M C -2.937 173.346 176.300 -0.028 0.000 0.949 523 M CA -2.110 53.136 55.300 -0.091 0.000 0.722 523 M CB 1.218 33.786 32.600 -0.054 0.000 1.762 523 M HN -0.240 nan 8.290 nan 0.000 0.348 524 P HA 0.080 nan 4.420 nan 0.000 0.270 524 P C -0.038 177.324 177.300 0.105 0.000 1.223 524 P CA 0.132 63.304 63.100 0.119 0.000 0.785 524 P CB 0.510 32.267 31.700 0.095 0.000 0.923 525 N N 0.379 119.171 118.700 0.152 0.000 2.247 525 N HA -0.128 4.613 4.740 0.001 0.000 0.189 525 N C 1.561 177.052 175.510 -0.031 0.000 1.009 525 N CA 1.439 54.516 53.050 0.045 0.000 0.872 525 N CB -1.002 37.545 38.487 0.101 0.000 0.980 525 N HN 0.467 nan 8.380 nan 0.000 0.436 526 T N 1.097 115.658 114.554 0.012 0.000 2.737 526 T HA -0.161 4.190 4.350 0.001 0.000 0.269 526 T C 1.856 176.551 174.700 -0.010 0.000 1.040 526 T CA 1.341 63.445 62.100 0.007 0.000 1.142 526 T CB -0.012 68.870 68.868 0.024 0.000 0.861 526 T HN 0.455 nan 8.240 nan 0.000 0.456 527 Q N -0.703 119.089 119.800 -0.013 0.000 2.390 527 Q HA 0.272 4.613 4.340 0.001 0.000 0.216 527 Q C 2.201 178.162 176.000 -0.066 0.000 0.916 527 Q CA 0.090 55.888 55.803 -0.009 0.000 0.911 527 Q CB -0.114 28.646 28.738 0.036 0.000 1.035 527 Q HN 0.288 nan 8.270 nan 0.000 0.541 528 L N 0.659 121.799 121.223 -0.139 0.000 2.046 528 L HA -0.175 4.166 4.340 0.001 0.000 0.208 528 L C 2.014 178.608 176.870 -0.459 0.000 1.077 528 L CA 1.824 56.497 54.840 -0.278 0.000 0.747 528 L CB -0.527 41.263 42.059 -0.448 0.000 0.896 528 L HN 0.261 nan 8.230 nan 0.000 0.432 529 C N -0.242 118.724 119.300 -0.557 0.000 2.462 529 C HA -0.042 4.418 4.460 0.001 0.000 0.278 529 C C 0.293 175.069 174.990 -0.355 0.000 1.253 529 C CA 0.839 59.327 59.018 -0.883 0.000 1.713 529 C CB -2.042 25.244 27.740 -0.757 0.000 2.049 529 C HN 0.435 nan 8.230 nan 0.000 0.477 530 P HA -0.083 nan 4.420 nan 0.000 0.215 530 P C 1.611 178.942 177.300 0.051 0.000 1.153 530 P CA 2.470 65.593 63.100 0.037 0.000 0.853 530 P CB -0.207 31.515 31.700 0.037 0.000 0.788 531 A N -0.644 122.178 122.820 0.004 0.000 1.933 531 A HA -0.170 4.151 4.320 0.001 0.000 0.218 531 A C 2.216 179.886 177.584 0.144 0.000 1.175 531 A CA 1.423 53.511 52.037 0.085 0.000 0.628 531 A CB -1.687 17.359 19.000 0.077 0.000 0.814 531 A HN 0.126 nan 8.150 nan 0.000 0.444 532 L N -0.672 120.541 121.223 -0.017 0.000 2.141 532 L HA -0.148 4.193 4.340 0.001 0.000 0.209 532 L C 2.498 179.505 176.870 0.229 0.000 1.094 532 L CA 0.808 55.656 54.840 0.014 0.000 0.763 532 L CB -0.392 41.502 42.059 -0.275 0.000 0.908 532 L HN 0.260 nan 8.230 nan 0.000 0.437 533 V N -0.113 119.961 119.914 0.266 0.000 2.270 533 V HA -0.286 3.835 4.120 0.001 0.000 0.245 533 V C 2.737 178.971 176.094 0.234 0.000 1.043 533 V CA 1.817 64.289 62.300 0.287 0.000 1.014 533 V CB -0.844 31.160 31.823 0.302 0.000 0.645 533 V HN 0.481 nan 8.190 nan 0.000 0.447 534 A N -1.049 121.894 122.820 0.206 0.000 1.883 534 A HA -0.290 4.030 4.320 0.001 0.000 0.217 534 A C 2.139 179.793 177.584 0.117 0.000 1.186 534 A CA 2.011 54.139 52.037 0.152 0.000 0.624 534 A CB -0.931 18.110 19.000 0.069 0.000 0.822 534 A HN 0.671 nan 8.150 nan 0.000 0.444 535 H N -2.901 116.240 119.070 0.119 0.000 2.422 535 H HA -0.174 4.383 4.556 0.001 0.000 0.298 535 H C 1.946 177.348 175.328 0.124 0.000 1.098 535 H CA 2.109 58.222 56.048 0.108 0.000 1.315 535 H CB -0.216 29.589 29.762 0.071 0.000 1.382 535 H HN 0.713 nan 8.280 nan 0.000 0.523 536 Y N 0.926 121.287 120.300 0.101 0.000 2.263 536 Y HA -0.159 4.391 4.550 0.001 0.000 0.292 536 Y C 1.818 177.665 175.900 -0.087 0.000 1.130 536 Y CA 1.297 59.377 58.100 -0.033 0.000 1.179 536 Y CB -0.013 38.380 38.460 -0.111 0.000 0.998 536 Y HN 0.205 nan 8.280 nan 0.000 0.532 537 H N -0.138 119.023 119.070 0.151 0.000 2.517 537 H HA 0.436 4.992 4.556 0.001 0.000 0.282 537 H C 0.535 175.882 175.328 0.032 0.000 1.023 537 H CA 0.299 56.375 56.048 0.046 0.000 1.169 537 H CB -0.662 29.160 29.762 0.100 0.000 1.454 537 H HN 0.242 nan 8.280 nan 0.000 0.556 538 A N 0.893 123.792 122.820 0.132 0.000 2.407 538 A HA 0.252 4.573 4.320 0.001 0.000 0.248 538 A C 0.389 178.051 177.584 0.130 0.000 1.082 538 A CA -0.242 51.854 52.037 0.099 0.000 0.785 538 A CB 0.567 19.608 19.000 0.069 0.000 1.020 538 A HN 0.250 nan 8.150 nan 0.000 0.489 539 Q N 1.162 120.986 119.800 0.040 0.000 2.245 539 Q HA 0.505 4.846 4.340 0.001 0.000 0.256 539 Q C -2.352 173.520 176.000 -0.214 0.000 0.942 539 Q CA -1.795 53.993 55.803 -0.026 0.000 0.896 539 Q CB 1.158 29.871 28.738 -0.041 0.000 1.272 539 Q HN 0.584 nan 8.270 nan 0.000 0.442 540 P HA 0.039 nan 4.420 nan 0.000 0.268 540 P C -0.513 176.560 177.300 -0.378 0.000 1.204 540 P CA 0.102 62.724 63.100 -0.795 0.000 0.768 540 P CB 1.116 32.384 31.700 -0.721 0.000 0.842 541 S N 0.720 116.222 115.700 -0.329 0.000 2.540 541 S HA 0.136 4.607 4.470 0.001 0.000 0.222 541 S C 0.524 175.039 174.600 -0.143 0.000 1.008 541 S CA -0.233 57.858 58.200 -0.183 0.000 0.939 541 S CB 0.219 63.336 63.200 -0.138 0.000 0.865 541 S HN 0.533 nan 8.310 nan 0.000 0.499 542 Q N -0.129 119.574 119.800 -0.162 0.000 2.456 542 Q HA 0.620 4.961 4.340 0.001 0.000 0.284 542 Q C -0.529 175.418 176.000 -0.088 0.000 1.061 542 Q CA -0.424 55.318 55.803 -0.102 0.000 0.799 542 Q CB 2.222 30.916 28.738 -0.074 0.000 1.445 542 Q HN 0.518 nan 8.270 nan 0.000 0.411 543 G N 0.335 109.104 108.800 -0.052 0.000 2.479 543 G HA2 -0.139 3.822 3.960 0.001 0.000 0.686 543 G HA3 -0.139 3.822 3.960 0.001 0.000 0.686 543 G C -0.629 174.256 174.900 -0.026 0.000 1.295 543 G CA -0.748 44.334 45.100 -0.031 0.000 0.922 543 G HN 0.473 nan 8.290 nan 0.000 0.582 544 T N 0.636 115.182 114.554 -0.013 0.000 2.855 544 T HA 0.258 4.608 4.350 0.001 0.000 0.314 544 T C 1.763 176.457 174.700 -0.010 0.000 1.077 544 T CA 0.871 62.966 62.100 -0.009 0.000 1.095 544 T CB 0.933 69.800 68.868 -0.002 0.000 0.987 544 T HN 0.599 nan 8.240 nan 0.000 0.546 545 E N 0.653 120.847 120.200 -0.010 0.000 2.070 545 E HA -0.269 4.082 4.350 0.001 0.000 0.197 545 E C 2.227 178.827 176.600 0.001 0.000 1.004 545 E CA 1.368 57.763 56.400 -0.008 0.000 0.805 545 E CB -0.063 29.633 29.700 -0.007 0.000 0.744 545 E HN 0.532 nan 8.360 nan 0.000 0.451 546 Q N 0.950 120.753 119.800 0.004 0.000 2.119 546 Q HA -0.170 4.171 4.340 0.001 0.000 0.201 546 Q C 1.600 177.612 176.000 0.020 0.000 0.972 546 Q CA 1.540 57.349 55.803 0.010 0.000 0.847 546 Q CB 0.100 28.843 28.738 0.008 0.000 0.903 546 Q HN 0.266 nan 8.270 nan 0.000 0.433 547 E N -0.627 119.585 120.200 0.020 0.000 2.106 547 E HA -0.143 4.208 4.350 0.001 0.000 0.192 547 E C 2.038 178.673 176.600 0.058 0.000 0.984 547 E CA 0.858 57.281 56.400 0.037 0.000 0.806 547 E CB 0.015 29.731 29.700 0.028 0.000 0.750 547 E HN 0.258 nan 8.360 nan 0.000 0.458 548 R N -0.107 120.410 120.500 0.029 0.000 2.148 548 R HA -0.005 4.335 4.340 0.001 0.000 0.223 548 R C 2.202 178.539 176.300 0.062 0.000 1.088 548 R CA 0.995 57.108 56.100 0.022 0.000 0.985 548 R CB -0.056 30.226 30.300 -0.031 0.000 0.880 548 R HN 0.185 nan 8.270 nan 0.000 0.451 549 M N 0.300 119.927 119.600 0.045 0.000 2.132 549 M HA -0.139 4.342 4.480 0.001 0.000 0.263 549 M C 1.131 177.466 176.300 0.058 0.000 1.065 549 M CA 1.418 56.744 55.300 0.043 0.000 1.122 549 M CB -0.002 32.612 32.600 0.024 0.000 1.365 549 M HN -0.006 nan 8.290 nan 0.000 0.411 550 D N -0.529 119.909 120.400 0.064 0.000 2.178 550 D HA -0.162 4.479 4.640 0.001 0.000 0.202 550 D C 1.676 178.018 176.300 0.071 0.000 0.974 550 D CA 1.065 55.099 54.000 0.055 0.000 0.841 550 D CB -0.492 40.336 40.800 0.047 0.000 0.953 550 D HN 0.384 nan 8.370 nan 0.000 0.478 551 Y N 2.124 122.416 120.300 -0.013 0.000 2.069 551 Y HA -0.333 4.218 4.550 0.001 0.000 0.278 551 Y C 2.362 178.247 175.900 -0.025 0.000 1.175 551 Y CA 2.290 60.381 58.100 -0.016 0.000 1.134 551 Y CB -0.430 38.020 38.460 -0.018 0.000 0.965 551 Y HN -0.025 nan 8.280 nan 0.000 0.498 552 A N 0.012 122.883 122.820 0.086 0.000 1.948 552 A HA -0.249 4.072 4.320 0.001 0.000 0.220 552 A C 2.197 179.694 177.584 -0.144 0.000 1.177 552 A CA 2.007 54.023 52.037 -0.035 0.000 0.636 552 A CB -1.242 17.773 19.000 0.025 0.000 0.815 552 A HN 0.613 nan 8.150 nan 0.000 0.449 553 L N 0.319 121.488 121.223 -0.090 0.000 2.007 553 L HA -0.109 4.232 4.340 0.001 0.000 0.205 553 L C 1.995 178.810 176.870 -0.091 0.000 1.073 553 L CA 2.232 57.034 54.840 -0.062 0.000 0.744 553 L CB -0.694 41.356 42.059 -0.014 0.000 0.898 553 L HN 0.400 nan 8.230 nan 0.000 0.435 554 N N -0.274 118.349 118.700 -0.128 0.000 2.309 554 N HA -0.199 4.541 4.740 0.001 0.000 0.182 554 N C 1.525 176.901 175.510 -0.224 0.000 1.018 554 N CA 1.408 54.375 53.050 -0.139 0.000 0.876 554 N CB -0.286 38.133 38.487 -0.113 0.000 0.972 554 N HN 0.478 nan 8.380 nan 0.000 0.434 555 N N 1.244 119.696 118.700 -0.413 0.000 2.135 555 N HA -0.147 4.594 4.740 0.001 0.000 0.186 555 N C 2.026 177.418 175.510 -0.196 0.000 1.027 555 N CA 1.990 54.779 53.050 -0.435 0.000 0.849 555 N CB -0.155 37.812 38.487 -0.867 0.000 1.002 555 N HN 0.132 nan 8.380 nan 0.000 0.425 556 K N 1.445 121.730 120.400 -0.191 0.000 2.032 556 K HA -0.136 4.185 4.320 0.001 0.000 0.209 556 K C 2.018 178.699 176.600 0.134 0.000 1.048 556 K CA 1.885 58.127 56.287 -0.074 0.000 0.927 556 K CB -1.167 31.202 32.500 -0.218 0.000 0.712 556 K HN 0.699 nan 8.250 nan 0.000 0.441 557 R N -0.388 120.133 120.500 0.034 0.000 2.313 557 R HA 0.142 4.483 4.340 0.001 0.000 0.199 557 R C 2.157 178.371 176.300 -0.143 0.000 0.958 557 R CA 0.360 56.437 56.100 -0.039 0.000 1.047 557 R CB 0.007 30.281 30.300 -0.043 0.000 0.955 557 R HN 0.374 nan 8.270 nan 0.000 0.481 558 R N 0.522 120.973 120.500 -0.082 0.000 2.080 558 R HA 0.058 4.399 4.340 0.001 0.000 0.222 558 R C 2.097 178.377 176.300 -0.034 0.000 1.107 558 R CA 1.004 57.053 56.100 -0.084 0.000 0.980 558 R CB -0.012 30.232 30.300 -0.093 0.000 0.879 558 R HN 0.033 nan 8.270 nan 0.000 0.439 559 V N 1.466 121.405 119.914 0.042 0.000 2.343 559 V HA -0.259 3.862 4.120 0.001 0.000 0.247 559 V C 2.212 178.381 176.094 0.124 0.000 1.051 559 V CA 1.712 64.074 62.300 0.103 0.000 1.036 559 V CB -0.369 31.625 31.823 0.285 0.000 0.654 559 V HN 0.274 nan 8.190 nan 0.000 0.451 560 I N -0.277 120.410 120.570 0.195 0.000 2.208 560 I HA -0.261 3.910 4.170 0.001 0.000 0.245 560 I C 2.736 178.887 176.117 0.057 0.000 1.097 560 I CA 1.559 62.981 61.300 0.202 0.000 1.363 560 I CB -0.364 37.749 38.000 0.187 0.000 1.051 560 I HN 0.221 nan 8.210 nan 0.000 0.413 561 R N 1.085 121.555 120.500 -0.050 0.000 2.091 561 R HA -0.204 4.137 4.340 0.001 0.000 0.238 561 R C 2.090 178.397 176.300 0.011 0.000 1.136 561 R CA 1.713 57.778 56.100 -0.058 0.000 0.959 561 R CB -0.873 29.365 30.300 -0.103 0.000 0.856 561 R HN 0.260 nan 8.270 nan 0.000 0.437 562 L N -0.273 120.952 121.223 0.004 0.000 2.056 562 L HA -0.074 4.267 4.340 0.001 0.000 0.207 562 L C 2.064 178.989 176.870 0.091 0.000 1.078 562 L CA 1.539 56.394 54.840 0.024 0.000 0.749 562 L CB -0.581 41.449 42.059 -0.050 0.000 0.901 562 L HN 0.070 nan 8.230 nan 0.000 0.433 563 V N -0.320 119.618 119.914 0.040 0.000 2.287 563 V HA -0.329 3.791 4.120 0.001 0.000 0.248 563 V C 2.598 178.877 176.094 0.308 0.000 1.053 563 V CA 2.060 64.432 62.300 0.119 0.000 1.027 563 V CB -0.639 31.103 31.823 -0.133 0.000 0.646 563 V HN 0.428 nan 8.190 nan 0.000 0.447 564 L N -0.429 120.911 121.223 0.195 0.000 1.990 564 L HA -0.245 4.096 4.340 0.001 0.000 0.213 564 L C 2.855 179.823 176.870 0.164 0.000 1.072 564 L CA 1.701 56.645 54.840 0.174 0.000 0.755 564 L CB -0.716 41.419 42.059 0.126 0.000 0.889 564 L HN 0.334 nan 8.230 nan 0.000 0.432 565 Q N -1.095 118.797 119.800 0.154 0.000 2.124 565 Q HA -0.263 4.078 4.340 0.001 0.000 0.202 565 Q C 1.919 178.034 176.000 0.191 0.000 0.977 565 Q CA 1.866 57.751 55.803 0.135 0.000 0.850 565 Q CB -0.514 28.290 28.738 0.111 0.000 0.901 565 Q HN 0.653 nan 8.270 nan 0.000 0.429 566 W N 1.419 122.760 121.300 0.068 0.000 2.363 566 W HA -0.143 4.517 4.660 0.001 0.000 0.296 566 W C 2.141 178.775 176.519 0.192 0.000 1.212 566 W CA 2.141 59.558 57.345 0.120 0.000 1.260 566 W CB -0.257 29.233 29.460 0.050 0.000 1.131 566 W HN 0.100 nan 8.180 nan 0.000 0.530 567 A N 0.633 123.471 122.820 0.031 0.000 1.929 567 A HA 0.067 4.388 4.320 0.001 0.000 0.216 567 A C 2.078 179.616 177.584 -0.078 0.000 1.176 567 A CA 1.914 53.840 52.037 -0.184 0.000 0.628 567 A CB -1.403 17.603 19.000 0.010 0.000 0.816 567 A HN 0.416 nan 8.150 nan 0.000 0.444 568 A N -1.258 121.565 122.820 0.004 0.000 2.067 568 A HA 0.023 4.344 4.320 0.001 0.000 0.219 568 A C 2.033 179.606 177.584 -0.019 0.000 1.158 568 A CA 1.918 53.957 52.037 0.004 0.000 0.661 568 A CB -0.409 18.605 19.000 0.023 0.000 0.801 568 A HN 0.528 nan 8.150 nan 0.000 0.452 569 M N -1.483 118.094 119.600 -0.038 0.000 2.115 569 M HA 0.028 4.509 4.480 0.001 0.000 0.261 569 M C 1.795 178.038 176.300 -0.095 0.000 1.079 569 M CA 1.612 56.849 55.300 -0.105 0.000 1.143 569 M CB -0.830 31.683 32.600 -0.145 0.000 1.332 569 M HN 0.380 nan 8.290 nan 0.000 0.421 570 Y N 0.799 120.997 120.300 -0.170 0.000 2.181 570 Y HA 0.183 4.734 4.550 0.001 0.000 0.288 570 Y C 1.691 177.529 175.900 -0.102 0.000 1.146 570 Y CA 0.909 58.903 58.100 -0.177 0.000 1.164 570 Y CB -1.066 37.170 38.460 -0.374 0.000 0.982 570 Y HN 0.466 nan 8.280 nan 0.000 0.515 571 G N 0.272 109.103 108.800 0.053 0.000 2.804 571 G HA2 -0.272 3.689 3.960 0.001 0.000 0.230 571 G HA3 -0.272 3.689 3.960 0.001 0.000 0.230 571 G C -1.138 173.764 174.900 0.003 0.000 1.386 571 G CA -0.434 44.690 45.100 0.041 0.000 0.875 571 G HN 0.231 nan 8.290 nan 0.000 0.557 572 D N 0.281 120.684 120.400 0.005 0.000 2.424 572 D HA 0.430 5.071 4.640 0.001 0.000 0.244 572 D C 1.553 177.841 176.300 -0.019 0.000 1.134 572 D CA 0.797 54.791 54.000 -0.011 0.000 0.881 572 D CB 0.591 41.388 40.800 -0.004 0.000 1.191 572 D HN 1.020 nan 8.370 nan 0.000 0.445 573 L N 0.770 121.975 121.223 -0.029 0.000 4.429 573 L HA -0.263 4.077 4.340 0.001 0.000 0.422 573 L C 0.784 177.621 176.870 -0.054 0.000 1.149 573 L CA 0.086 54.906 54.840 -0.034 0.000 0.972 573 L CB -0.867 41.180 42.059 -0.021 0.000 2.059 573 L HN 0.430 nan 8.230 nan 0.000 0.870 574 L N -1.171 120.008 121.223 -0.074 0.000 2.920 574 L HA 0.177 4.518 4.340 0.001 0.000 0.257 574 L C 1.751 178.584 176.870 -0.061 0.000 1.150 574 L CA 0.692 55.474 54.840 -0.098 0.000 0.959 574 L CB 0.410 42.326 42.059 -0.238 0.000 1.321 574 L HN 0.116 nan 8.230 nan 0.000 0.555 575 Q N 0.810 120.562 119.800 -0.081 0.000 2.515 575 Q HA -0.112 4.229 4.340 0.001 0.000 0.212 575 Q C 0.596 176.538 176.000 -0.096 0.000 0.970 575 Q CA 0.477 56.200 55.803 -0.133 0.000 0.941 575 Q CB -0.034 28.629 28.738 -0.125 0.000 0.998 575 Q HN 0.557 nan 8.270 nan 0.000 0.518 576 E N 0.028 120.191 120.200 -0.062 0.000 3.079 576 E HA 0.011 4.362 4.350 0.001 0.000 0.267 576 E C -0.833 175.744 176.600 -0.038 0.000 1.509 576 E CA 0.152 56.528 56.400 -0.041 0.000 1.630 576 E CB -0.499 29.183 29.700 -0.029 0.000 1.373 576 E HN 0.125 nan 8.360 nan 0.000 0.439 577 D N 0.066 120.433 120.400 -0.055 0.000 2.217 577 D HA 0.094 4.735 4.640 0.001 0.000 0.243 577 D C 0.187 176.480 176.300 -0.012 0.000 1.054 577 D CA -0.624 53.352 54.000 -0.041 0.000 0.838 577 D CB 1.127 41.877 40.800 -0.082 0.000 1.162 577 D HN -0.092 nan 8.370 nan 0.000 0.472 578 D N 2.356 122.760 120.400 0.006 0.000 2.084 578 D HA -0.130 4.511 4.640 0.001 0.000 0.194 578 D C 2.075 178.403 176.300 0.047 0.000 0.990 578 D CA 0.996 55.010 54.000 0.023 0.000 0.826 578 D CB -0.014 40.799 40.800 0.022 0.000 0.971 578 D HN 0.262 nan 8.370 nan 0.000 0.453 579 V N 1.765 121.708 119.914 0.049 0.000 2.287 579 V HA -0.262 3.859 4.120 0.001 0.000 0.248 579 V C 2.588 178.756 176.094 0.124 0.000 1.053 579 V CA 1.960 64.304 62.300 0.073 0.000 1.027 579 V CB -0.899 30.954 31.823 0.050 0.000 0.646 579 V HN 0.179 nan 8.190 nan 0.000 0.447 580 A N -0.863 122.023 122.820 0.109 0.000 1.902 580 A HA -0.212 4.109 4.320 0.001 0.000 0.217 580 A C 2.257 179.992 177.584 0.251 0.000 1.181 580 A CA 2.193 54.357 52.037 0.212 0.000 0.623 580 A CB -0.457 18.559 19.000 0.027 0.000 0.818 580 A HN 0.495 nan 8.150 nan 0.000 0.443 581 M N -0.801 118.872 119.600 0.122 0.000 2.132 581 M HA -0.096 4.384 4.480 0.001 0.000 0.263 581 M C 2.554 178.926 176.300 0.120 0.000 1.065 581 M CA 1.261 56.620 55.300 0.099 0.000 1.122 581 M CB -0.346 32.279 32.600 0.040 0.000 1.365 581 M HN 0.488 nan 8.290 nan 0.000 0.411 582 A N 0.197 123.092 122.820 0.124 0.000 1.908 582 A HA -0.224 4.097 4.320 0.001 0.000 0.218 582 A C 1.979 179.656 177.584 0.155 0.000 1.181 582 A CA 1.571 53.678 52.037 0.118 0.000 0.627 582 A CB -1.068 17.995 19.000 0.105 0.000 0.818 582 A HN 0.566 nan 8.150 nan 0.000 0.445 583 F N 0.456 120.445 119.950 0.065 0.000 2.102 583 F HA -0.140 4.388 4.527 0.002 0.000 0.298 583 F C 1.837 177.703 175.800 0.110 0.000 1.105 583 F CA 1.816 59.850 58.000 0.057 0.000 1.239 583 F CB -0.301 38.689 39.000 -0.016 0.000 0.991 583 F HN 0.140 nan 8.300 nan 0.000 0.474 584 L N 0.260 121.526 121.223 0.073 0.000 2.046 584 L HA -0.190 4.150 4.340 0.001 0.000 0.208 584 L C 2.459 179.348 176.870 0.031 0.000 1.077 584 L CA 1.681 56.534 54.840 0.021 0.000 0.747 584 L CB -0.751 41.423 42.059 0.192 0.000 0.896 584 L HN 0.185 nan 8.230 nan 0.000 0.432 585 E N -0.206 120.020 120.200 0.044 0.000 2.038 585 E HA -0.299 4.051 4.350 0.001 0.000 0.195 585 E C 2.099 178.741 176.600 0.069 0.000 1.000 585 E CA 1.530 57.964 56.400 0.057 0.000 0.803 585 E CB -0.091 29.636 29.700 0.044 0.000 0.750 585 E HN 0.443 nan 8.360 nan 0.000 0.448 586 E N -0.066 120.142 120.200 0.013 0.000 2.150 586 E HA -0.172 4.179 4.350 0.001 0.000 0.193 586 E C 1.776 178.333 176.600 -0.072 0.000 0.985 586 E CA 0.455 56.849 56.400 -0.009 0.000 0.814 586 E CB -0.051 29.650 29.700 0.002 0.000 0.752 586 E HN 0.163 nan 8.360 nan 0.000 0.466 587 F N 0.029 119.766 119.950 -0.356 0.000 2.293 587 F HA -0.182 4.346 4.527 0.001 0.000 0.300 587 F C 1.918 177.577 175.800 -0.234 0.000 1.086 587 F CA 1.147 58.863 58.000 -0.473 0.000 1.375 587 F CB -0.168 38.316 39.000 -0.860 0.000 1.045 587 F HN 0.118 nan 8.300 nan 0.000 0.516 588 Y N -0.145 120.080 120.300 -0.124 0.000 2.263 588 Y HA -0.141 4.410 4.550 0.001 0.000 0.292 588 Y C 2.141 177.959 175.900 -0.137 0.000 1.130 588 Y CA 1.706 59.743 58.100 -0.105 0.000 1.179 588 Y CB -0.639 37.807 38.460 -0.023 0.000 0.998 588 Y HN -0.096 nan 8.280 nan 0.000 0.532 589 V N -0.809 119.044 119.914 -0.101 0.000 2.295 589 V HA -0.293 3.828 4.120 0.001 0.000 0.246 589 V C 2.414 178.388 176.094 -0.201 0.000 1.049 589 V CA 2.089 64.303 62.300 -0.144 0.000 1.024 589 V CB -1.087 30.716 31.823 -0.033 0.000 0.648 589 V HN 0.360 nan 8.190 nan 0.000 0.447 590 S N 0.215 115.779 115.700 -0.226 0.000 2.359 590 S HA -0.178 4.293 4.470 0.001 0.000 0.224 590 S C 1.956 176.424 174.600 -0.220 0.000 1.035 590 S CA 1.734 59.816 58.200 -0.197 0.000 1.018 590 S CB -0.306 62.711 63.200 -0.305 0.000 0.876 590 S HN 0.412 nan 8.310 nan 0.000 0.448 591 V N 1.603 121.255 119.914 -0.437 0.000 2.719 591 V HA -0.043 4.078 4.120 0.001 0.000 0.252 591 V C 2.766 178.724 176.094 -0.227 0.000 1.065 591 V CA 1.625 63.743 62.300 -0.303 0.000 1.086 591 V CB -1.414 30.167 31.823 -0.404 0.000 0.700 591 V HN 0.601 nan 8.190 nan 0.000 0.467 592 S N 0.333 115.836 115.700 -0.328 0.000 2.368 592 S HA -0.250 4.221 4.470 0.001 0.000 0.224 592 S C 1.759 176.260 174.600 -0.164 0.000 1.029 592 S CA 1.651 59.670 58.200 -0.301 0.000 0.988 592 S CB -0.429 62.510 63.200 -0.435 0.000 0.838 592 S HN 0.499 nan 8.310 nan 0.000 0.462 593 D N 2.020 122.344 120.400 -0.127 0.000 2.172 593 D HA -0.110 4.531 4.640 0.001 0.000 0.196 593 D C 0.226 176.499 176.300 -0.045 0.000 0.999 593 D CA 1.562 55.523 54.000 -0.066 0.000 0.856 593 D CB -0.223 40.557 40.800 -0.033 0.000 0.934 593 D HN 0.739 nan 8.370 nan 0.000 0.453 594 D N -0.943 119.434 120.400 -0.038 0.000 3.010 594 D HA 0.312 4.953 4.640 0.001 0.000 0.347 594 D C -0.455 175.825 176.300 -0.033 0.000 1.340 594 D CA -0.545 53.441 54.000 -0.023 0.000 0.858 594 D CB -0.222 40.578 40.800 -0.000 0.000 1.111 594 D HN -0.056 nan 8.370 nan 0.000 0.482 595 A N 0.883 123.670 122.820 -0.055 0.000 2.990 595 A HA 0.367 4.688 4.320 0.001 0.000 0.282 595 A C 0.996 178.549 177.584 -0.052 0.000 1.688 595 A CA -0.436 51.563 52.037 -0.063 0.000 1.391 595 A CB -0.251 18.699 19.000 -0.083 0.000 1.112 595 A HN 0.266 nan 8.150 nan 0.000 0.588 596 R N 0.818 121.293 120.500 -0.041 0.000 2.507 596 R HA 0.252 4.593 4.340 0.001 0.000 0.230 596 R C 1.794 178.074 176.300 -0.033 0.000 0.897 596 R CA 1.055 57.135 56.100 -0.034 0.000 1.006 596 R CB 0.368 30.653 30.300 -0.025 0.000 1.341 596 R HN 0.605 nan 8.270 nan 0.000 0.604 597 M N -0.050 119.530 119.600 -0.035 0.000 2.808 597 M HA 0.482 4.963 4.480 0.001 0.000 0.184 597 M C 0.392 176.655 176.300 -0.060 0.000 1.446 597 M CA 0.752 56.033 55.300 -0.032 0.000 1.397 597 M CB -0.179 32.415 32.600 -0.010 0.000 0.918 597 M HN 0.076 nan 8.290 nan 0.000 0.515 598 M N 0.753 120.304 119.600 -0.082 0.000 2.311 598 M HA 0.685 5.166 4.480 0.001 0.000 0.325 598 M C -0.533 175.555 176.300 -0.353 0.000 1.061 598 M CA -0.172 55.010 55.300 -0.197 0.000 0.957 598 M CB 1.954 34.459 32.600 -0.160 0.000 1.646 598 M HN 0.650 nan 8.290 nan 0.000 0.434 599 A N 3.392 125.974 122.820 -0.397 0.000 2.630 599 A HA 0.582 4.903 4.320 0.001 0.000 0.287 599 A C 1.109 178.448 177.584 -0.409 0.000 1.040 599 A CA 0.345 52.154 52.037 -0.380 0.000 0.971 599 A CB -0.157 18.732 19.000 -0.184 0.000 1.241 599 A HN 0.947 nan 8.150 nan 0.000 0.558 600 A N -0.011 122.469 122.820 -0.566 0.000 2.067 600 A HA 0.143 4.464 4.320 0.001 0.000 0.219 600 A C 1.405 178.873 177.584 -0.194 0.000 1.158 600 A CA 1.657 53.501 52.037 -0.322 0.000 0.661 600 A CB -0.758 18.110 19.000 -0.219 0.000 0.801 600 A HN 0.992 nan 8.150 nan 0.000 0.452 601 F N -2.204 117.772 119.950 0.044 0.000 2.678 601 F HA 0.440 4.968 4.527 0.001 0.000 0.305 601 F C 1.423 177.267 175.800 0.073 0.000 1.090 601 F CA 0.066 58.101 58.000 0.059 0.000 1.272 601 F CB 0.017 39.056 39.000 0.065 0.000 1.060 601 F HN 0.001 nan 8.300 nan 0.000 0.576 602 K N 1.981 122.411 120.400 0.049 0.000 2.296 602 K HA 0.023 4.344 4.320 0.001 0.000 0.200 602 K C 1.932 178.596 176.600 0.106 0.000 1.048 602 K CA 1.522 57.864 56.287 0.092 0.000 0.966 602 K CB -0.539 31.948 32.500 -0.021 0.000 0.754 602 K HN 0.358 nan 8.250 nan 0.000 0.466 603 E N 0.594 120.832 120.200 0.064 0.000 2.347 603 E HA -0.095 4.256 4.350 0.001 0.000 0.196 603 E C 1.495 178.154 176.600 0.099 0.000 1.008 603 E CA 0.942 57.386 56.400 0.073 0.000 0.852 603 E CB -0.522 29.200 29.700 0.036 0.000 0.783 603 E HN 0.426 nan 8.360 nan 0.000 0.505 604 Q N -1.234 118.645 119.800 0.133 0.000 2.425 604 Q HA 0.163 4.504 4.340 0.001 0.000 0.204 604 Q C 1.857 177.946 176.000 0.147 0.000 0.933 604 Q CA 0.409 56.293 55.803 0.135 0.000 0.939 604 Q CB 0.417 29.251 28.738 0.160 0.000 1.044 604 Q HN 0.492 nan 8.270 nan 0.000 0.513 605 L N 1.692 123.026 121.223 0.185 0.000 2.253 605 L HA 0.079 4.420 4.340 0.001 0.000 0.205 605 L C -1.040 175.917 176.870 0.145 0.000 1.078 605 L CA 1.001 55.972 54.840 0.218 0.000 0.805 605 L CB -0.682 41.568 42.059 0.317 0.000 0.963 605 L HN -0.018 nan 8.230 nan 0.000 0.459 606 P HA -0.118 nan 4.420 nan 0.000 0.229 606 P C 0.989 178.252 177.300 -0.063 0.000 1.160 606 P CA 1.127 64.186 63.100 -0.068 0.000 0.777 606 P CB 0.128 31.857 31.700 0.048 0.000 0.814 607 E N 0.088 120.292 120.200 0.007 0.000 2.150 607 E HA -0.056 4.295 4.350 0.001 0.000 0.193 607 E C 1.668 178.263 176.600 -0.007 0.000 0.985 607 E CA 0.836 57.238 56.400 0.003 0.000 0.814 607 E CB -0.343 29.374 29.700 0.028 0.000 0.752 607 E HN 0.319 nan 8.360 nan 0.000 0.466 608 L N 0.115 121.341 121.223 0.006 0.000 2.607 608 L HA 0.095 4.436 4.340 0.001 0.000 0.228 608 L C 1.908 178.763 176.870 -0.024 0.000 1.123 608 L CA 0.074 54.917 54.840 0.006 0.000 0.890 608 L CB 0.276 42.363 42.059 0.047 0.000 1.103 608 L HN 0.012 nan 8.230 nan 0.000 0.468 609 E N 0.685 120.833 120.200 -0.087 0.000 2.288 609 E HA -0.055 4.295 4.350 0.001 0.000 0.200 609 E C 1.999 178.503 176.600 -0.159 0.000 0.880 609 E CA 0.598 56.900 56.400 -0.163 0.000 0.971 609 E CB 0.220 29.687 29.700 -0.389 0.000 0.954 609 E HN 0.074 nan 8.360 nan 0.000 0.489 610 K N 0.457 120.760 120.400 -0.162 0.000 2.097 610 K HA 0.028 4.349 4.320 0.001 0.000 0.205 610 K C 0.987 177.547 176.600 -0.066 0.000 1.050 610 K CA 1.269 57.489 56.287 -0.113 0.000 0.938 610 K CB -0.046 32.397 32.500 -0.095 0.000 0.718 610 K HN 0.251 nan 8.250 nan 0.000 0.442 611 I N 0.987 121.525 120.570 -0.053 0.000 3.838 611 I HA -0.014 4.157 4.170 0.001 0.000 0.320 611 I C 0.673 176.771 176.117 -0.032 0.000 1.429 611 I CA -0.202 61.077 61.300 -0.034 0.000 1.223 611 I CB 0.610 38.596 38.000 -0.023 0.000 1.147 611 I HN -0.092 nan 8.210 nan 0.000 0.410 612 V N -0.221 119.669 119.914 -0.039 0.000 3.261 612 V HA 0.180 4.301 4.120 0.001 0.000 0.212 612 V C 1.174 177.250 176.094 -0.030 0.000 1.381 612 V CA 0.845 63.125 62.300 -0.033 0.000 1.322 612 V CB 0.191 31.995 31.823 -0.032 0.000 1.188 612 V HN 0.355 nan 8.190 nan 0.000 0.520 643 R N 1.811 122.356 120.500 0.075 0.000 2.486 643 R HA 0.483 4.824 4.340 0.001 0.000 0.286 643 R C -0.505 175.820 176.300 0.041 0.000 0.999 643 R CA -0.802 55.339 56.100 0.068 0.000 0.993 643 R CB 1.514 31.858 30.300 0.073 0.000 1.084 643 R HN 0.742 nan 8.270 nan 0.000 0.487 644 Q N 2.655 122.478 119.800 0.038 0.000 2.282 644 Q HA 0.387 4.728 4.340 0.001 0.000 0.260 644 Q C -2.110 173.905 176.000 0.025 0.000 0.964 644 Q CA -2.124 53.694 55.803 0.026 0.000 0.880 644 Q CB 1.606 30.359 28.738 0.024 0.000 1.286 644 Q HN 0.316 nan 8.270 nan 0.000 0.445 645 P HA 0.157 nan 4.420 nan 0.000 0.271 645 P C -0.109 177.206 177.300 0.024 0.000 1.233 645 P CA 0.005 63.117 63.100 0.019 0.000 0.764 645 P CB 0.501 32.210 31.700 0.016 0.000 0.825 646 I N 3.559 124.149 120.570 0.033 0.000 2.668 646 I HA -0.017 4.154 4.170 0.001 0.000 0.285 646 I C 1.817 177.952 176.117 0.030 0.000 1.168 646 I CA 0.230 61.552 61.300 0.037 0.000 1.424 646 I CB 0.396 38.428 38.000 0.053 0.000 1.377 646 I HN 0.308 nan 8.210 nan 0.000 0.560 647 R N 3.551 124.064 120.500 0.021 0.000 2.282 647 R HA 0.187 4.528 4.340 0.001 0.000 0.195 647 R C 1.326 177.631 176.300 0.009 0.000 0.909 647 R CA 0.928 57.033 56.100 0.008 0.000 1.039 647 R CB 0.367 30.668 30.300 0.001 0.000 1.015 647 R HN 0.951 nan 8.270 nan 0.000 0.513 648 G N -1.161 107.653 108.800 0.023 0.000 2.358 648 G HA2 -0.370 3.590 3.960 0.001 0.000 0.224 648 G HA3 -0.370 3.590 3.960 0.001 0.000 0.224 648 G C 1.064 175.978 174.900 0.024 0.000 1.073 648 G CA 0.768 45.885 45.100 0.028 0.000 0.635 648 G HN 0.443 nan 8.290 nan 0.000 0.509 649 S N 0.725 116.432 115.700 0.012 0.000 2.470 649 S HA 0.200 4.670 4.470 0.001 0.000 0.225 649 S C 0.527 175.133 174.600 0.010 0.000 1.006 649 S CA 0.959 59.165 58.200 0.010 0.000 0.934 649 S CB 0.053 63.254 63.200 0.002 0.000 0.778 649 S HN 0.407 nan 8.310 nan 0.000 0.517 650 D N 3.086 123.493 120.400 0.011 0.000 2.493 650 D HA 0.162 4.803 4.640 0.001 0.000 0.240 650 D C -0.035 176.267 176.300 0.004 0.000 1.142 650 D CA 0.613 54.618 54.000 0.008 0.000 0.872 650 D CB 0.322 41.129 40.800 0.012 0.000 1.173 650 D HN 0.503 nan 8.370 nan 0.000 0.467 651 E N 0.635 120.832 120.200 -0.004 0.000 2.313 651 E HA 0.376 4.727 4.350 0.001 0.000 0.276 651 E C -0.638 175.943 176.600 -0.031 0.000 1.031 651 E CA -0.498 55.893 56.400 -0.016 0.000 0.857 651 E CB 1.534 31.227 29.700 -0.011 0.000 1.040 651 E HN 0.083 nan 8.360 nan 0.000 0.408 652 V N 4.492 124.366 119.914 -0.068 0.000 2.638 652 V HA 0.230 4.351 4.120 0.001 0.000 0.306 652 V C -0.545 175.488 176.094 -0.102 0.000 1.052 652 V CA -0.735 61.512 62.300 -0.088 0.000 0.885 652 V CB 1.666 33.410 31.823 -0.132 0.000 0.999 652 V HN 0.538 nan 8.190 nan 0.000 0.424 653 L N 5.395 126.588 121.223 -0.050 0.000 2.315 653 L HA 0.471 4.812 4.340 0.001 0.000 0.283 653 L C -0.778 176.089 176.870 -0.005 0.000 1.089 653 L CA 0.232 55.052 54.840 -0.033 0.000 0.833 653 L CB 0.388 42.432 42.059 -0.026 0.000 1.170 653 L HN 0.526 nan 8.230 nan 0.000 0.442 654 F N 4.027 123.860 119.950 -0.195 0.000 2.529 654 F HA 0.399 4.926 4.527 0.001 0.000 0.320 654 F C -0.237 175.479 175.800 -0.140 0.000 1.118 654 F CA -0.997 56.888 58.000 -0.193 0.000 0.915 654 F CB 1.526 40.313 39.000 -0.356 0.000 1.161 654 F HN 0.357 nan 8.300 nan 0.000 0.445 655 K N 5.110 125.138 120.400 -0.621 0.000 2.276 655 K HA 0.649 4.969 4.320 0.001 0.000 0.285 655 K C -1.482 174.774 176.600 -0.573 0.000 1.062 655 K CA -0.606 55.329 56.287 -0.586 0.000 0.918 655 K CB 1.497 33.555 32.500 -0.737 0.000 1.055 655 K HN 0.383 nan 8.250 nan 0.000 0.477 656 V N 3.748 123.401 119.914 -0.435 0.000 2.667 656 V HA 0.338 4.459 4.120 0.001 0.000 0.308 656 V C -1.107 174.629 176.094 -0.597 0.000 1.048 656 V CA -0.901 61.234 62.300 -0.275 0.000 0.928 656 V CB 0.951 32.775 31.823 0.003 0.000 1.004 656 V HN 0.633 nan 8.190 nan 0.000 0.444 657 Y N 1.352 121.367 120.300 -0.475 0.000 2.393 657 Y HA 0.599 5.149 4.550 0.001 0.000 0.341 657 Y C 0.360 176.033 175.900 -0.377 0.000 0.988 657 Y CA -0.364 57.369 58.100 -0.611 0.000 1.078 657 Y CB 1.755 39.514 38.460 -1.168 0.000 1.203 657 Y HN 0.585 nan 8.280 nan 0.000 0.453 658 C N 2.856 122.176 119.300 0.033 0.000 2.423 658 C HA 0.511 4.972 4.460 0.001 0.000 0.378 658 C C 0.446 175.601 174.990 0.275 0.000 1.244 658 C CA -0.850 58.272 59.018 0.172 0.000 1.978 658 C CB 1.255 29.054 27.740 0.098 0.000 2.252 658 C HN 0.781 nan 8.230 nan 0.000 0.526 659 I N 2.386 123.100 120.570 0.239 0.000 2.813 659 I HA 0.091 4.261 4.170 0.001 0.000 0.287 659 I C 0.728 176.859 176.117 0.023 0.000 1.196 659 I CA 1.336 62.727 61.300 0.151 0.000 1.421 659 I CB 0.133 38.182 38.000 0.082 0.000 1.365 659 I HN 0.779 nan 8.210 nan 0.000 0.591 660 D N 4.886 125.181 120.400 -0.175 0.000 3.090 660 D HA -0.261 4.380 4.640 0.001 0.000 0.215 660 D C -0.098 176.117 176.300 -0.142 0.000 1.140 660 D CA 1.180 55.024 54.000 -0.261 0.000 0.937 660 D CB -1.908 38.842 40.800 -0.082 0.000 1.108 660 D HN 0.981 nan 8.370 nan 0.000 0.420 661 H N -1.047 118.132 119.070 0.181 0.000 2.983 661 H HA -0.112 4.445 4.556 0.001 0.000 0.327 661 H C -0.424 175.035 175.328 0.219 0.000 1.031 661 H CA 0.949 57.127 56.048 0.216 0.000 1.053 661 H CB -1.626 28.238 29.762 0.170 0.000 1.609 661 H HN 0.076 nan 8.280 nan 0.000 0.369 662 T N 1.128 115.841 114.554 0.264 0.000 2.861 662 T HA 0.332 4.683 4.350 0.001 0.000 0.287 662 T C -0.177 174.518 174.700 -0.009 0.000 1.003 662 T CA -0.896 61.300 62.100 0.160 0.000 0.977 662 T CB 1.210 70.136 68.868 0.097 0.000 0.996 662 T HN 0.238 nan 8.240 nan 0.000 0.448 663 Y N 1.868 122.073 120.300 -0.159 0.000 2.411 663 Y HA 0.362 4.913 4.550 0.002 0.000 0.333 663 Y C 1.177 176.936 175.900 -0.234 0.000 1.186 663 Y CA 0.327 58.238 58.100 -0.314 0.000 1.381 663 Y CB 0.799 39.128 38.460 -0.219 0.000 1.273 663 Y HN 0.592 nan 8.280 nan 0.000 0.546 664 T N 2.139 116.571 114.554 -0.203 0.000 3.160 664 T HA 0.134 4.485 4.350 0.001 0.000 0.346 664 T C -0.560 174.085 174.700 -0.093 0.000 1.027 664 T CA -0.815 61.224 62.100 -0.102 0.000 1.287 664 T CB 0.070 68.882 68.868 -0.093 0.000 0.997 664 T HN 0.481 nan 8.240 nan 0.000 0.518 665 T N 4.207 118.742 114.554 -0.031 0.000 2.799 665 T HA 0.447 4.797 4.350 0.001 0.000 0.296 665 T C 0.360 175.056 174.700 -0.007 0.000 0.947 665 T CA -0.007 62.080 62.100 -0.023 0.000 1.141 665 T CB 0.030 68.900 68.868 0.003 0.000 0.891 665 T HN 0.427 nan 8.240 nan 0.000 0.533 666 I N 2.748 123.322 120.570 0.006 0.000 2.603 666 I HA 0.492 4.663 4.170 0.001 0.000 0.300 666 I C 0.398 176.514 176.117 -0.001 0.000 1.017 666 I CA -0.982 60.329 61.300 0.019 0.000 1.098 666 I CB 2.144 40.177 38.000 0.055 0.000 1.279 666 I HN 0.323 nan 8.210 nan 0.000 0.437 667 R N 5.701 126.199 120.500 -0.003 0.000 2.310 667 R HA 0.646 4.986 4.340 0.001 0.000 0.316 667 R C -1.539 174.754 176.300 -0.011 0.000 1.004 667 R CA -0.363 55.727 56.100 -0.017 0.000 0.900 667 R CB 0.992 31.286 30.300 -0.010 0.000 1.152 667 R HN 0.583 nan 8.270 nan 0.000 0.513 668 V N 1.347 121.241 119.914 -0.033 0.000 3.078 668 V HA 0.695 4.815 4.120 0.001 0.000 0.311 668 V C -2.758 173.329 176.094 -0.012 0.000 1.138 668 V CA -2.967 59.333 62.300 0.000 0.000 1.007 668 V CB 1.884 33.743 31.823 0.061 0.000 1.045 668 V HN 0.520 nan 8.190 nan 0.000 0.432 669 P HA 0.232 nan 4.420 nan 0.000 0.269 669 P C 1.024 178.376 177.300 0.087 0.000 1.215 669 P CA -0.034 63.089 63.100 0.037 0.000 0.780 669 P CB 0.779 32.505 31.700 0.042 0.000 0.898 670 V N 1.760 121.722 119.914 0.080 0.000 2.343 670 V HA -0.231 3.889 4.120 0.001 0.000 0.247 670 V C 1.975 178.190 176.094 0.202 0.000 1.051 670 V CA 2.569 64.965 62.300 0.160 0.000 1.036 670 V CB -1.558 30.328 31.823 0.105 0.000 0.654 670 V HN 0.673 nan 8.190 nan 0.000 0.451 671 A N -0.058 122.825 122.820 0.106 0.000 2.310 671 A HA 0.543 4.864 4.320 0.001 0.000 0.230 671 A C 1.067 178.683 177.584 0.053 0.000 1.294 671 A CA 0.511 52.584 52.037 0.060 0.000 0.898 671 A CB -0.796 18.218 19.000 0.023 0.000 0.917 671 A HN 0.500 nan 8.150 nan 0.000 0.491 672 A N 0.890 123.773 122.820 0.106 0.000 2.401 672 A HA 0.525 4.845 4.320 0.001 0.000 0.259 672 A C 0.958 178.544 177.584 0.003 0.000 1.103 672 A CA 0.270 52.355 52.037 0.080 0.000 0.789 672 A CB 0.028 19.122 19.000 0.156 0.000 1.035 672 A HN 1.000 nan 8.150 nan 0.000 0.491 673 S N 1.503 117.198 115.700 -0.009 0.000 2.614 673 S HA 0.272 4.743 4.470 0.001 0.000 0.265 673 S C 1.068 175.634 174.600 -0.057 0.000 1.303 673 S CA -0.125 58.050 58.200 -0.042 0.000 1.000 673 S CB 0.912 64.098 63.200 -0.023 0.000 0.935 673 S HN 0.714 nan 8.310 nan 0.000 0.551 674 V N 1.634 121.501 119.914 -0.079 0.000 2.490 674 V HA -0.124 3.996 4.120 0.001 0.000 0.250 674 V C 2.804 178.880 176.094 -0.029 0.000 1.061 674 V CA 1.966 64.222 62.300 -0.073 0.000 1.064 674 V CB -0.953 30.823 31.823 -0.078 0.000 0.670 674 V HN 0.937 nan 8.190 nan 0.000 0.461 675 K N 0.529 120.916 120.400 -0.022 0.000 2.097 675 K HA -0.205 4.115 4.320 0.001 0.000 0.206 675 K C 2.009 178.613 176.600 0.006 0.000 1.049 675 K CA 1.768 58.051 56.287 -0.007 0.000 0.933 675 K CB -0.129 32.366 32.500 -0.009 0.000 0.717 675 K HN 0.582 nan 8.250 nan 0.000 0.442 676 E N 0.050 120.256 120.200 0.009 0.000 2.274 676 E HA -0.092 4.258 4.350 0.001 0.000 0.194 676 E C 1.918 178.545 176.600 0.045 0.000 0.996 676 E CA 0.576 56.992 56.400 0.026 0.000 0.840 676 E CB 0.222 29.941 29.700 0.031 0.000 0.772 676 E HN 0.056 nan 8.360 nan 0.000 0.491 677 V N 1.138 121.079 119.914 0.045 0.000 2.283 677 V HA -0.229 3.892 4.120 0.001 0.000 0.243 677 V C 2.176 178.304 176.094 0.057 0.000 1.039 677 V CA 1.367 63.711 62.300 0.074 0.000 1.016 677 V CB -0.317 31.546 31.823 0.066 0.000 0.650 677 V HN 0.244 nan 8.190 nan 0.000 0.449 678 I N 0.450 121.042 120.570 0.036 0.000 2.194 678 I HA -0.285 3.886 4.170 0.001 0.000 0.246 678 I C 2.561 178.696 176.117 0.030 0.000 1.093 678 I CA 1.799 63.118 61.300 0.032 0.000 1.355 678 I CB -0.530 37.482 38.000 0.021 0.000 1.046 678 I HN 0.245 nan 8.210 nan 0.000 0.413 679 S N 0.590 116.306 115.700 0.027 0.000 2.383 679 S HA -0.179 4.292 4.470 0.001 0.000 0.229 679 S C 2.128 176.744 174.600 0.027 0.000 1.030 679 S CA 1.457 59.672 58.200 0.024 0.000 1.002 679 S CB -0.353 62.861 63.200 0.022 0.000 0.829 679 S HN 0.595 nan 8.310 nan 0.000 0.467 680 A N 0.543 123.384 122.820 0.035 0.000 2.072 680 A HA 0.193 4.513 4.320 0.001 0.000 0.216 680 A C 2.161 179.765 177.584 0.034 0.000 1.156 680 A CA 0.441 52.499 52.037 0.035 0.000 0.701 680 A CB -0.341 18.686 19.000 0.044 0.000 0.816 680 A HN 0.334 nan 8.150 nan 0.000 0.458 681 V N -0.190 119.747 119.914 0.039 0.000 2.379 681 V HA -0.139 3.982 4.120 0.001 0.000 0.245 681 V C 2.642 178.752 176.094 0.026 0.000 1.044 681 V CA 1.662 63.983 62.300 0.035 0.000 1.036 681 V CB -0.872 30.976 31.823 0.042 0.000 0.664 681 V HN 0.530 nan 8.190 nan 0.000 0.453 682 A N -0.376 122.459 122.820 0.025 0.000 2.265 682 A HA -0.083 4.238 4.320 0.001 0.000 0.213 682 A C 1.658 179.252 177.584 0.017 0.000 1.255 682 A CA 0.945 52.995 52.037 0.020 0.000 0.862 682 A CB -0.614 18.397 19.000 0.019 0.000 0.852 682 A HN 0.518 nan 8.150 nan 0.000 0.484 683 D N 0.916 121.326 120.400 0.017 0.000 2.348 683 D HA -0.113 4.528 4.640 0.001 0.000 0.216 683 D C 1.853 178.160 176.300 0.011 0.000 0.970 683 D CA 1.185 55.193 54.000 0.014 0.000 0.889 683 D CB 0.004 40.812 40.800 0.014 0.000 0.912 683 D HN 0.686 nan 8.370 nan 0.000 0.524 684 K N 0.108 120.516 120.400 0.012 0.000 2.487 684 K HA 0.105 4.426 4.320 0.001 0.000 0.192 684 K C 0.058 176.665 176.600 0.011 0.000 1.027 684 K CA -0.066 56.227 56.287 0.011 0.000 1.054 684 K CB -0.062 32.445 32.500 0.012 0.000 0.824 684 K HN 0.061 nan 8.250 nan 0.000 0.510 685 L N 0.091 121.321 121.223 0.012 0.000 2.619 685 L HA -0.174 4.167 4.340 0.001 0.000 0.533 685 L C 0.090 176.968 176.870 0.012 0.000 1.002 685 L CA 0.817 55.664 54.840 0.011 0.000 1.266 685 L CB -0.984 41.080 42.059 0.009 0.000 1.549 685 L HN 0.615 nan 8.230 nan 0.000 0.778 686 G N 1.765 110.573 108.800 0.013 0.000 2.467 686 G HA2 0.136 4.097 3.960 0.001 0.000 0.226 686 G HA3 0.136 4.097 3.960 0.001 0.000 0.226 686 G C -0.014 174.895 174.900 0.016 0.000 1.162 686 G CA -0.169 44.939 45.100 0.014 0.000 0.838 686 G HN 1.138 nan 8.290 nan 0.000 0.498 687 S N -0.022 115.687 115.700 0.015 0.000 2.585 687 S HA 0.622 5.092 4.470 0.001 0.000 0.273 687 S C 1.281 175.890 174.600 0.015 0.000 1.339 687 S CA 0.628 58.837 58.200 0.016 0.000 1.028 687 S CB 1.790 64.999 63.200 0.014 0.000 0.906 687 S HN 2.262 nan 8.310 nan 0.000 0.528 688 G N 0.202 109.011 108.800 0.016 0.000 2.422 688 G HA2 0.323 4.283 3.960 0.001 0.000 0.290 688 G HA3 0.323 4.283 3.960 0.001 0.000 0.290 688 G C -0.199 174.710 174.900 0.015 0.000 1.059 688 G CA 0.102 45.211 45.100 0.014 0.000 1.242 688 G HN 1.528 nan 8.290 nan 0.000 0.520 689 E N -0.441 119.771 120.200 0.019 0.000 2.291 689 E HA 0.918 5.269 4.350 0.001 0.000 0.276 689 E C 1.335 177.950 176.600 0.024 0.000 0.896 689 E CA 0.967 57.379 56.400 0.019 0.000 0.774 689 E CB 0.901 30.613 29.700 0.020 0.000 1.227 689 E HN 2.456 nan 8.360 nan 0.000 0.413 690 G N 0.747 109.560 108.800 0.021 0.000 2.601 690 G HA2 -0.028 3.932 3.960 0.001 0.000 0.252 690 G HA3 -0.028 3.932 3.960 0.001 0.000 0.252 690 G C -0.249 174.665 174.900 0.024 0.000 1.294 690 G CA -0.160 44.954 45.100 0.024 0.000 0.912 690 G HN 1.194 nan 8.290 nan 0.000 0.574 691 L N 0.993 122.234 121.223 0.029 0.000 2.282 691 L HA 0.653 4.994 4.340 0.001 0.000 0.288 691 L C 0.923 177.820 176.870 0.045 0.000 1.033 691 L CA -0.429 54.428 54.840 0.029 0.000 0.807 691 L CB 0.687 42.759 42.059 0.021 0.000 1.209 691 L HN 0.749 nan 8.230 nan 0.000 0.423 692 I N 0.836 121.431 120.570 0.041 0.000 2.441 692 I HA 0.585 4.755 4.170 0.001 0.000 0.295 692 I C 0.138 176.289 176.117 0.058 0.000 0.994 692 I CA -0.958 60.374 61.300 0.054 0.000 1.144 692 I CB 1.704 39.729 38.000 0.042 0.000 1.314 692 I HN 0.495 nan 8.210 nan 0.000 0.445 693 I N 3.777 124.400 120.570 0.087 0.000 8.192 693 I HA -0.184 3.986 4.170 0.001 0.000 0.126 693 I C -0.520 175.647 176.117 0.084 0.000 1.847 693 I CA 0.630 61.985 61.300 0.092 0.000 2.049 693 I CB -0.738 37.292 38.000 0.050 0.000 3.776 693 I HN 0.786 nan 8.210 nan 0.000 0.173 694 V N 5.343 125.337 119.914 0.133 0.000 2.733 694 V HA 0.718 4.839 4.120 0.001 0.000 0.306 694 V C -0.032 176.140 176.094 0.130 0.000 1.084 694 V CA -1.016 61.340 62.300 0.093 0.000 0.905 694 V CB 2.040 33.892 31.823 0.048 0.000 1.010 694 V HN 0.555 nan 8.190 nan 0.000 0.424 695 K N 4.522 124.968 120.400 0.077 0.000 2.383 695 K HA 0.575 4.896 4.320 0.001 0.000 0.286 695 K C -0.606 176.026 176.600 0.053 0.000 1.051 695 K CA 0.245 56.584 56.287 0.087 0.000 0.974 695 K CB 0.897 33.426 32.500 0.049 0.000 0.968 695 K HN 0.798 nan 8.250 nan 0.000 0.475 696 M N 5.075 124.728 119.600 0.089 0.000 2.047 696 M HA 0.310 4.791 4.480 0.001 0.000 0.342 696 M C -0.956 175.349 176.300 0.009 0.000 1.058 696 M CA -0.432 54.862 55.300 -0.009 0.000 0.991 696 M CB 0.570 33.119 32.600 -0.086 0.000 1.474 696 M HN 0.750 nan 8.290 nan 0.000 0.419 697 N N 1.456 120.143 118.700 -0.021 0.000 2.482 697 N HA 0.132 4.873 4.740 0.001 0.000 0.260 697 N C 0.767 176.252 175.510 -0.042 0.000 1.236 697 N CA 0.683 53.721 53.050 -0.019 0.000 0.938 697 N CB 1.065 39.541 38.487 -0.020 0.000 1.128 697 N HN 0.709 nan 8.380 nan 0.000 0.448 698 S N 0.819 116.491 115.700 -0.048 0.000 2.447 698 S HA -0.027 4.444 4.470 0.001 0.000 0.233 698 S C 1.717 176.279 174.600 -0.064 0.000 1.006 698 S CA 0.827 58.989 58.200 -0.064 0.000 0.957 698 S CB -0.638 62.510 63.200 -0.087 0.000 0.773 698 S HN 0.656 nan 8.310 nan 0.000 0.507 699 G N 0.289 109.055 108.800 -0.056 0.000 2.712 699 G HA2 0.411 4.372 3.960 0.001 0.000 0.212 699 G HA3 0.411 4.372 3.960 0.001 0.000 0.212 699 G C 1.078 175.950 174.900 -0.047 0.000 1.142 699 G CA 0.153 45.226 45.100 -0.046 0.000 0.789 699 G HN 1.377 nan 8.290 nan 0.000 0.535 700 G N -0.238 108.527 108.800 -0.058 0.000 2.201 700 G HA2 -0.209 3.752 3.960 0.001 0.000 0.212 700 G HA3 -0.209 3.752 3.960 0.001 0.000 0.212 700 G C 0.110 174.967 174.900 -0.072 0.000 0.994 700 G CA -0.012 45.044 45.100 -0.073 0.000 0.644 700 G HN 0.491 nan 8.290 nan 0.000 0.508 701 E N 2.305 122.474 120.200 -0.052 0.000 2.168 701 E HA 0.256 4.606 4.350 0.001 0.000 0.254 701 E C 0.691 177.264 176.600 -0.046 0.000 1.228 701 E CA 0.268 56.644 56.400 -0.042 0.000 0.956 701 E CB 0.128 29.813 29.700 -0.025 0.000 1.031 701 E HN 0.631 nan 8.360 nan 0.000 0.441 702 K N 1.002 121.367 120.400 -0.058 0.000 2.276 702 K HA 0.427 4.748 4.320 0.001 0.000 0.283 702 K C -0.520 176.060 176.600 -0.034 0.000 1.044 702 K CA -0.623 55.627 56.287 -0.061 0.000 0.944 702 K CB 1.370 33.819 32.500 -0.086 0.000 1.012 702 K HN 0.049 nan 8.250 nan 0.000 0.472 703 V N 3.297 123.198 119.914 -0.020 0.000 2.623 703 V HA 0.161 4.282 4.120 0.001 0.000 0.304 703 V C -0.485 175.607 176.094 -0.004 0.000 1.054 703 V CA -1.039 61.254 62.300 -0.011 0.000 0.882 703 V CB 2.002 33.821 31.823 -0.006 0.000 1.002 703 V HN 0.638 nan 8.190 nan 0.000 0.424 704 V N 6.207 126.116 119.914 -0.008 0.000 2.567 704 V HA 0.511 4.632 4.120 0.001 0.000 0.289 704 V C -0.097 175.987 176.094 -0.017 0.000 1.049 704 V CA -0.430 61.867 62.300 -0.006 0.000 0.969 704 V CB 1.503 33.322 31.823 -0.006 0.000 0.995 704 V HN 0.631 nan 8.190 nan 0.000 0.471 705 L N 4.452 125.662 121.223 -0.021 0.000 2.342 705 L HA 0.563 4.904 4.340 0.001 0.000 0.271 705 L C 0.318 177.159 176.870 -0.049 0.000 1.008 705 L CA -0.806 54.010 54.840 -0.040 0.000 0.818 705 L CB 1.659 43.689 42.059 -0.049 0.000 1.296 705 L HN 0.678 nan 8.230 nan 0.000 0.427 706 K N 0.310 120.670 120.400 -0.067 0.000 2.180 706 K HA 0.271 4.592 4.320 0.001 0.000 0.251 706 K C 0.424 176.983 176.600 -0.068 0.000 1.014 706 K CA -0.568 55.676 56.287 -0.072 0.000 0.913 706 K CB 0.876 33.316 32.500 -0.100 0.000 1.008 706 K HN 0.438 nan 8.250 nan 0.000 0.490 707 S N 0.817 116.483 115.700 -0.056 0.000 2.447 707 S HA -0.132 4.339 4.470 0.001 0.000 0.233 707 S C 1.099 175.670 174.600 -0.047 0.000 1.006 707 S CA 1.482 59.655 58.200 -0.045 0.000 0.957 707 S CB -0.516 62.665 63.200 -0.032 0.000 0.773 707 S HN 0.824 nan 8.310 nan 0.000 0.507 708 N N 0.600 119.265 118.700 -0.058 0.000 2.322 708 N HA 0.068 4.809 4.740 0.001 0.000 0.194 708 N C -0.706 174.785 175.510 -0.032 0.000 1.126 708 N CA -0.043 52.981 53.050 -0.043 0.000 0.845 708 N CB -0.035 38.427 38.487 -0.042 0.000 0.976 708 N HN 0.017 nan 8.380 nan 0.000 0.475 709 D N 1.048 121.415 120.400 -0.056 0.000 2.390 709 D HA 0.090 4.730 4.640 0.001 0.000 0.249 709 D C 0.107 176.373 176.300 -0.056 0.000 1.144 709 D CA -0.052 53.923 54.000 -0.042 0.000 0.880 709 D CB 1.704 42.460 40.800 -0.073 0.000 1.182 709 D HN 0.136 nan 8.370 nan 0.000 0.451 710 V N -0.569 119.327 119.914 -0.030 0.000 2.769 710 V HA 0.500 4.620 4.120 0.001 0.000 0.312 710 V C 0.552 176.594 176.094 -0.087 0.000 1.058 710 V CA -0.973 61.295 62.300 -0.054 0.000 0.952 710 V CB 1.698 33.510 31.823 -0.018 0.000 1.019 710 V HN 0.640 nan 8.190 nan 0.000 0.445 711 S N 1.652 117.285 115.700 -0.113 0.000 3.405 711 S HA -0.137 4.334 4.470 0.001 0.000 0.373 711 S C 0.694 175.171 174.600 -0.206 0.000 0.939 711 S CA 0.708 58.847 58.200 -0.101 0.000 1.295 711 S CB -0.850 62.361 63.200 0.019 0.000 0.919 711 S HN 1.238 nan 8.310 nan 0.000 0.535 712 V N 2.727 122.332 119.914 -0.513 0.000 2.719 712 V HA -0.050 4.071 4.120 0.001 0.000 0.252 712 V C 1.807 177.664 176.094 -0.396 0.000 1.065 712 V CA 2.017 64.049 62.300 -0.447 0.000 1.086 712 V CB -0.656 30.867 31.823 -0.499 0.000 0.700 712 V HN 0.829 nan 8.190 nan 0.000 0.467 713 F N 1.477 121.297 119.950 -0.216 0.000 2.192 713 F HA -0.199 4.329 4.527 0.002 0.000 0.301 713 F C 2.440 178.181 175.800 -0.098 0.000 1.079 713 F CA 1.585 59.371 58.000 -0.356 0.000 1.303 713 F CB -1.122 37.545 39.000 -0.555 0.000 1.024 713 F HN 0.303 nan 8.300 nan 0.000 0.494 714 T N -4.678 109.952 114.554 0.126 0.000 3.086 714 T HA 0.057 4.408 4.350 0.001 0.000 0.250 714 T C 1.149 175.909 174.700 0.099 0.000 1.074 714 T CA 0.533 62.712 62.100 0.133 0.000 0.988 714 T CB -0.449 68.499 68.868 0.133 0.000 0.988 714 T HN 0.118 nan 8.240 nan 0.000 0.530 715 T N 1.933 116.523 114.554 0.060 0.000 3.107 715 T HA 0.359 4.710 4.350 0.001 0.000 0.249 715 T C 0.259 174.999 174.700 0.067 0.000 1.096 715 T CA -0.317 61.818 62.100 0.059 0.000 1.012 715 T CB -0.133 68.748 68.868 0.022 0.000 0.977 715 T HN 0.180 nan 8.240 nan 0.000 0.527 716 L N 1.964 123.240 121.223 0.089 0.000 2.439 716 L HA 0.317 4.658 4.340 0.001 0.000 0.261 716 L C 0.987 177.917 176.870 0.100 0.000 1.153 716 L CA 0.071 54.973 54.840 0.103 0.000 0.808 716 L CB 0.158 42.308 42.059 0.151 0.000 1.126 716 L HN 0.029 nan 8.230 nan 0.000 0.460 717 T N 1.832 116.439 114.554 0.088 0.000 2.856 717 T HA 0.149 4.500 4.350 0.001 0.000 0.306 717 T C 1.906 176.653 174.700 0.079 0.000 1.062 717 T CA -0.230 61.918 62.100 0.081 0.000 1.083 717 T CB 0.292 69.192 68.868 0.054 0.000 0.984 717 T HN 0.388 nan 8.240 nan 0.000 0.542 718 I N 1.296 121.912 120.570 0.076 0.000 2.113 718 I HA -0.277 3.894 4.170 0.001 0.000 0.242 718 I C 1.943 178.084 176.117 0.041 0.000 1.057 718 I CA 1.505 62.844 61.300 0.066 0.000 1.314 718 I CB -0.278 37.763 38.000 0.068 0.000 1.022 718 I HN 0.570 nan 8.210 nan 0.000 0.408 719 N N 0.738 119.441 118.700 0.005 0.000 2.235 719 N HA 0.132 4.873 4.740 0.001 0.000 0.209 719 N C 0.557 176.072 175.510 0.009 0.000 1.122 719 N CA 0.215 53.260 53.050 -0.008 0.000 0.845 719 N CB 0.360 38.818 38.487 -0.049 0.000 1.004 719 N HN 0.284 nan 8.380 nan 0.000 0.499 720 G N 0.650 109.477 108.800 0.044 0.000 2.544 720 G HA2 0.275 4.236 3.960 0.001 0.000 0.242 720 G HA3 0.275 4.236 3.960 0.001 0.000 0.242 720 G C 0.201 175.177 174.900 0.126 0.000 1.247 720 G CA -0.215 44.931 45.100 0.077 0.000 0.840 720 G HN 0.026 nan 8.290 nan 0.000 0.578 721 R N -0.161 120.448 120.500 0.180 0.000 2.837 721 R HA 0.441 4.781 4.340 0.001 0.000 0.271 721 R C -1.382 175.156 176.300 0.398 0.000 0.993 721 R CA -1.117 55.131 56.100 0.247 0.000 0.931 721 R CB 1.960 32.323 30.300 0.105 0.000 1.206 721 R HN 0.387 nan 8.270 nan 0.000 0.474 722 L N 1.722 123.190 121.223 0.408 0.000 2.282 722 L HA 0.497 4.838 4.340 0.001 0.000 0.288 722 L C -1.095 175.952 176.870 0.295 0.000 1.033 722 L CA -0.050 55.031 54.840 0.402 0.000 0.807 722 L CB 0.517 42.851 42.059 0.458 0.000 1.209 722 L HN 0.382 nan 8.230 nan 0.000 0.423 723 F N 2.851 122.906 119.950 0.175 0.000 2.594 723 F HA 0.890 5.418 4.527 0.002 0.000 0.335 723 F C 0.403 176.271 175.800 0.113 0.000 1.058 723 F CA -0.125 57.969 58.000 0.156 0.000 0.981 723 F CB 1.890 40.961 39.000 0.118 0.000 1.289 723 F HN 0.558 nan 8.300 nan 0.000 0.490 733 L N 2.120 123.300 121.223 -0.072 0.000 2.333 733 L HA 0.675 5.016 4.340 0.001 0.000 0.280 733 L C -0.354 176.437 176.870 -0.133 0.000 1.004 733 L CA -0.467 54.294 54.840 -0.130 0.000 0.820 733 L CB 1.985 43.914 42.059 -0.216 0.000 1.247 733 L HN 0.820 nan 8.230 nan 0.000 0.416 734 T N 0.288 114.785 114.554 -0.095 0.000 2.824 734 T HA 0.592 4.943 4.350 0.001 0.000 0.282 734 T C -2.612 172.084 174.700 -0.006 0.000 0.993 734 T CA -2.012 60.070 62.100 -0.031 0.000 0.967 734 T CB 1.762 70.660 68.868 0.050 0.000 0.960 734 T HN 0.230 nan 8.240 nan 0.000 0.441 735 P HA 0.261 nan 4.420 nan 0.000 0.272 735 P C -0.043 177.190 177.300 -0.113 0.000 1.230 735 P CA -0.681 62.365 63.100 -0.089 0.000 0.788 735 P CB 0.727 32.371 31.700 -0.093 0.000 0.949 736 L N 2.697 123.783 121.223 -0.228 0.000 2.483 736 L HA 0.068 4.409 4.340 0.001 0.000 0.276 736 L C -0.642 176.084 176.870 -0.239 0.000 1.213 736 L CA -1.368 53.199 54.840 -0.455 0.000 0.843 736 L CB -0.349 41.429 42.059 -0.467 0.000 1.107 736 L HN 0.326 nan 8.230 nan 0.000 0.487 737 P HA -0.166 nan 4.420 nan 0.000 0.221 737 P C 0.976 178.231 177.300 -0.075 0.000 1.150 737 P CA 1.171 64.218 63.100 -0.088 0.000 0.800 737 P CB 0.078 31.752 31.700 -0.045 0.000 0.787 738 E N 0.622 120.766 120.200 -0.093 0.000 2.274 738 E HA -0.170 4.181 4.350 0.001 0.000 0.194 738 E C 1.794 178.353 176.600 -0.069 0.000 0.996 738 E CA 0.519 56.879 56.400 -0.066 0.000 0.840 738 E CB -0.825 28.839 29.700 -0.059 0.000 0.772 738 E HN 0.292 nan 8.360 nan 0.000 0.491 739 Q N 0.206 119.951 119.800 -0.093 0.000 2.541 739 Q HA -0.108 4.233 4.340 0.001 0.000 0.215 739 Q C 1.002 176.962 176.000 -0.068 0.000 0.977 739 Q CA 0.827 56.583 55.803 -0.079 0.000 0.934 739 Q CB 0.097 28.784 28.738 -0.085 0.000 0.988 739 Q HN 0.200 nan 8.270 nan 0.000 0.521 740 E N -0.183 119.982 120.200 -0.058 0.000 2.479 740 E HA 0.115 4.466 4.350 0.001 0.000 0.193 740 E C 0.471 177.047 176.600 -0.039 0.000 1.049 740 E CA 0.527 56.897 56.400 -0.050 0.000 0.870 740 E CB 0.200 29.878 29.700 -0.038 0.000 0.944 740 E HN 0.378 nan 8.360 nan 0.000 0.492 741 G N 1.110 109.890 108.800 -0.033 0.000 2.698 741 G HA2 -0.239 3.722 3.960 0.001 0.000 0.233 741 G HA3 -0.239 3.722 3.960 0.001 0.000 0.233 741 G C -2.152 172.750 174.900 0.005 0.000 1.352 741 G CA -0.440 44.651 45.100 -0.015 0.000 0.879 741 G HN 0.207 nan 8.290 nan 0.000 0.567 742 P HA 0.235 nan 4.420 nan 0.000 0.268 742 P C 0.584 177.906 177.300 0.037 0.000 1.208 742 P CA 0.716 63.842 63.100 0.042 0.000 0.777 742 P CB 0.563 32.306 31.700 0.073 0.000 0.875 743 T N -1.303 113.274 114.554 0.037 0.000 3.000 743 T HA 0.087 4.438 4.350 0.001 0.000 0.248 743 T C 0.731 175.454 174.700 0.038 0.000 1.034 743 T CA 0.585 62.704 62.100 0.031 0.000 1.060 743 T CB -0.020 68.863 68.868 0.024 0.000 0.983 743 T HN 0.643 nan 8.240 nan 0.000 0.482 744 T N -0.282 114.302 114.554 0.049 0.000 2.907 744 T HA 0.732 5.083 4.350 0.001 0.000 0.292 744 T C 0.664 175.412 174.700 0.081 0.000 1.043 744 T CA -0.688 61.444 62.100 0.054 0.000 1.003 744 T CB 1.957 70.852 68.868 0.045 0.000 1.084 744 T HN 0.102 nan 8.240 nan 0.000 0.483 745 G N 0.094 108.943 108.800 0.081 0.000 2.514 745 G HA2 0.321 4.281 3.960 0.001 0.000 0.245 745 G HA3 0.321 4.281 3.960 0.001 0.000 0.245 745 G C 1.157 176.148 174.900 0.152 0.000 1.488 745 G CA 0.354 45.525 45.100 0.119 0.000 1.063 745 G HN 0.906 nan 8.290 nan 0.000 0.557 746 T N -1.606 113.054 114.554 0.177 0.000 2.668 746 T HA -0.064 4.286 4.350 0.001 0.000 0.262 746 T C 0.952 175.702 174.700 0.084 0.000 1.045 746 T CA 1.595 63.818 62.100 0.205 0.000 1.152 746 T CB -0.570 68.399 68.868 0.169 0.000 0.864 746 T HN 1.235 nan 8.240 nan 0.000 0.419 747 V N 1.740 121.657 119.914 0.004 0.000 4.923 747 V HA 0.037 4.158 4.120 0.001 0.000 0.378 747 V C 1.297 177.359 176.094 -0.054 0.000 0.678 747 V CA 0.731 63.017 62.300 -0.024 0.000 1.503 747 V CB -2.502 29.326 31.823 0.007 0.000 1.812 747 V HN 1.257 nan 8.190 nan 0.000 0.469 748 G N 3.110 111.840 108.800 -0.116 0.000 2.565 748 G HA2 -0.025 3.935 3.960 0.001 0.000 0.295 748 G HA3 -0.025 3.935 3.960 0.001 0.000 0.295 748 G C 1.562 176.345 174.900 -0.195 0.000 1.165 748 G CA 2.326 47.340 45.100 -0.143 0.000 0.977 748 G HN 2.947 nan 8.290 nan 0.000 0.546 749 T N -1.691 112.788 114.554 -0.124 0.000 13.920 749 T HA -0.378 3.973 4.350 0.001 0.000 0.417 749 T C 1.833 176.396 174.700 -0.227 0.000 1.442 749 T CA 4.138 66.161 62.100 -0.128 0.000 2.330 749 T CB -1.631 67.203 68.868 -0.056 0.000 2.759 749 T HN 2.302 nan 8.240 nan 0.000 0.364 750 F N 3.838 123.537 119.950 -0.419 0.000 2.202 750 F HA 0.091 4.618 4.527 0.001 0.000 0.301 750 F C 2.230 177.905 175.800 -0.210 0.000 1.082 750 F CA 1.469 59.219 58.000 -0.418 0.000 1.313 750 F CB -1.085 37.522 39.000 -0.655 0.000 1.024 750 F HN 0.745 nan 8.300 nan 0.000 0.495 751 E N 1.065 120.637 120.200 -1.048 0.000 2.482 751 E HA 0.029 4.380 4.350 0.001 0.000 0.196 751 E C 1.360 177.733 176.600 -0.378 0.000 1.047 751 E CA 0.948 56.873 56.400 -0.792 0.000 0.869 751 E CB -0.599 28.524 29.700 -0.962 0.000 0.836 751 E HN 0.596 nan 8.360 nan 0.000 0.520 752 L N -0.218 120.839 121.223 -0.277 0.000 2.766 752 L HA 0.353 4.693 4.340 0.001 0.000 0.242 752 L C 0.497 177.315 176.870 -0.087 0.000 1.136 752 L CA -0.278 54.468 54.840 -0.156 0.000 0.933 752 L CB -0.046 41.934 42.059 -0.132 0.000 1.241 752 L HN 0.139 nan 8.230 nan 0.000 0.522 753 M N -0.549 119.006 119.600 -0.075 0.000 2.291 753 M HA 0.173 4.654 4.480 0.001 0.000 0.324 753 M C 0.674 176.975 176.300 0.002 0.000 1.148 753 M CA -0.013 55.281 55.300 -0.010 0.000 1.104 753 M CB 1.515 34.128 32.600 0.022 0.000 1.483 753 M HN -0.110 nan 8.290 nan 0.000 0.467 754 S N 0.328 116.034 115.700 0.010 0.000 2.531 754 S HA 0.077 4.547 4.470 0.001 0.000 0.279 754 S C 1.018 175.624 174.600 0.011 0.000 1.305 754 S CA -0.417 57.782 58.200 -0.001 0.000 1.058 754 S CB 0.664 63.849 63.200 -0.025 0.000 0.899 754 S HN 0.709 nan 8.310 nan 0.000 0.493 755 S N 4.408 120.127 115.700 0.032 0.000 2.370 755 S HA -0.123 4.348 4.470 0.001 0.000 0.226 755 S C 1.865 176.459 174.600 -0.009 0.000 1.033 755 S CA 1.314 59.571 58.200 0.095 0.000 1.011 755 S CB -0.269 63.060 63.200 0.214 0.000 0.852 755 S HN 0.815 nan 8.310 nan 0.000 0.457 756 K N 0.752 120.954 120.400 -0.329 0.000 2.097 756 K HA -0.154 4.167 4.320 0.001 0.000 0.206 756 K C 1.397 177.992 176.600 -0.008 0.000 1.049 756 K CA 1.561 57.580 56.287 -0.446 0.000 0.933 756 K CB -0.125 32.029 32.500 -0.575 0.000 0.717 756 K HN 0.220 nan 8.250 nan 0.000 0.442 757 D N 0.870 121.236 120.400 -0.058 0.000 2.097 757 D HA -0.149 4.492 4.640 0.001 0.000 0.197 757 D C 2.041 178.384 176.300 0.072 0.000 0.984 757 D CA 0.912 54.867 54.000 -0.076 0.000 0.826 757 D CB -0.162 40.470 40.800 -0.279 0.000 0.973 757 D HN 0.189 nan 8.370 nan 0.000 0.460 758 L N 0.843 122.127 121.223 0.102 0.000 1.989 758 L HA -0.207 4.133 4.340 0.001 0.000 0.211 758 L C 2.568 179.556 176.870 0.196 0.000 1.071 758 L CA 1.468 56.409 54.840 0.169 0.000 0.749 758 L CB -0.397 41.803 42.059 0.234 0.000 0.890 758 L HN -0.021 nan 8.230 nan 0.000 0.431 759 A N -1.029 121.941 122.820 0.249 0.000 1.902 759 A HA -0.295 4.026 4.320 0.001 0.000 0.217 759 A C 2.188 179.903 177.584 0.218 0.000 1.181 759 A CA 1.694 53.912 52.037 0.301 0.000 0.623 759 A CB -0.975 18.294 19.000 0.449 0.000 0.818 759 A HN 0.518 nan 8.150 nan 0.000 0.443 760 Y N 0.336 120.681 120.300 0.075 0.000 2.128 760 Y HA -0.257 4.294 4.550 0.001 0.000 0.284 760 Y C 2.501 178.355 175.900 -0.076 0.000 1.154 760 Y CA 2.360 60.331 58.100 -0.216 0.000 1.149 760 Y CB -0.139 38.252 38.460 -0.115 0.000 0.976 760 Y HN 0.291 nan 8.280 nan 0.000 0.505 761 Q N -0.161 119.681 119.800 0.070 0.000 2.167 761 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 761 Q C 2.401 178.393 176.000 -0.013 0.000 0.970 761 Q CA 1.639 57.450 55.803 0.013 0.000 0.855 761 Q CB -0.316 28.486 28.738 0.107 0.000 0.911 761 Q HN 0.636 nan 8.270 nan 0.000 0.438 762 M N -0.239 119.372 119.600 0.018 0.000 2.099 762 M HA -0.144 4.337 4.480 0.001 0.000 0.262 762 M C 2.022 178.316 176.300 -0.009 0.000 1.067 762 M CA 1.585 56.909 55.300 0.040 0.000 1.124 762 M CB -0.203 32.433 32.600 0.060 0.000 1.353 762 M HN 0.114 nan 8.290 nan 0.000 0.410 763 T N -0.380 114.107 114.554 -0.111 0.000 2.777 763 T HA -0.116 4.235 4.350 0.001 0.000 0.266 763 T C 1.712 176.253 174.700 -0.265 0.000 1.040 763 T CA 1.807 63.766 62.100 -0.234 0.000 1.141 763 T CB -0.484 68.187 68.868 -0.327 0.000 0.868 763 T HN 0.391 nan 8.240 nan 0.000 0.444 764 T N 1.219 115.598 114.554 -0.292 0.000 2.635 764 T HA -0.171 4.180 4.350 0.001 0.000 0.267 764 T C 1.637 176.365 174.700 0.048 0.000 1.040 764 T CA 1.547 63.557 62.100 -0.151 0.000 1.156 764 T CB -0.546 68.188 68.868 -0.224 0.000 0.863 764 T HN 0.410 nan 8.240 nan 0.000 0.430 765 Y N 2.183 122.435 120.300 -0.080 0.000 2.181 765 Y HA -0.127 4.424 4.550 0.001 0.000 0.288 765 Y C 2.149 178.051 175.900 0.003 0.000 1.146 765 Y CA 1.074 59.157 58.100 -0.028 0.000 1.164 765 Y CB -0.651 37.781 38.460 -0.046 0.000 0.982 765 Y HN 0.170 nan 8.280 nan 0.000 0.515 766 D N -0.951 119.390 120.400 -0.098 0.000 2.144 766 D HA -0.229 4.412 4.640 0.001 0.000 0.199 766 D C 1.980 178.181 176.300 -0.165 0.000 0.984 766 D CA 1.450 55.354 54.000 -0.159 0.000 0.834 766 D CB -0.729 39.976 40.800 -0.158 0.000 0.955 766 D HN 0.486 nan 8.370 nan 0.000 0.465 767 W N 1.597 122.809 121.300 -0.145 0.000 2.363 767 W HA -0.084 4.577 4.660 0.002 0.000 0.296 767 W C 2.495 178.948 176.519 -0.110 0.000 1.212 767 W CA 0.649 57.933 57.345 -0.103 0.000 1.260 767 W CB -0.094 29.254 29.460 -0.187 0.000 1.131 767 W HN 0.038 nan 8.180 nan 0.000 0.530 768 E N -0.315 119.955 120.200 0.115 0.000 2.077 768 E HA -0.238 4.113 4.350 0.001 0.000 0.193 768 E C 2.097 178.667 176.600 -0.051 0.000 0.989 768 E CA 1.203 57.630 56.400 0.046 0.000 0.800 768 E CB -0.398 29.350 29.700 0.079 0.000 0.746 768 E HN 0.111 nan 8.360 nan 0.000 0.452 769 L N 0.044 121.174 121.223 -0.155 0.000 2.056 769 L HA -0.130 4.211 4.340 0.001 0.000 0.207 769 L C 2.206 178.862 176.870 -0.356 0.000 1.078 769 L CA 1.532 56.262 54.840 -0.184 0.000 0.749 769 L CB -1.298 40.700 42.059 -0.102 0.000 0.901 769 L HN 0.205 nan 8.230 nan 0.000 0.433 770 F N 1.061 120.517 119.950 -0.824 0.000 2.095 770 F HA -0.272 4.256 4.527 0.001 0.000 0.298 770 F C 2.277 177.796 175.800 -0.468 0.000 1.104 770 F CA 1.099 58.429 58.000 -1.116 0.000 1.232 770 F CB 0.145 38.516 39.000 -1.049 0.000 0.987 770 F HN 0.248 nan 8.300 nan 0.000 0.475 771 N N -0.210 118.354 118.700 -0.227 0.000 2.512 771 N HA -0.119 4.622 4.740 0.001 0.000 0.183 771 N C 1.540 176.956 175.510 -0.157 0.000 1.073 771 N CA 0.867 53.795 53.050 -0.204 0.000 0.911 771 N CB -0.529 37.929 38.487 -0.047 0.000 0.964 771 N HN 0.323 nan 8.380 nan 0.000 0.447 772 C N 0.426 119.647 119.300 -0.132 0.000 2.468 772 C HA 0.113 4.574 4.460 0.001 0.000 0.277 772 C C 1.123 176.076 174.990 -0.061 0.000 1.400 772 C CA -0.285 58.690 59.018 -0.071 0.000 1.770 772 C CB -0.399 27.317 27.740 -0.041 0.000 1.905 772 C HN 0.012 nan 8.230 nan 0.000 0.519 773 V N 1.661 121.504 119.914 -0.118 0.000 2.446 773 V HA 0.063 4.184 4.120 0.001 0.000 0.276 773 V C 0.136 176.184 176.094 -0.076 0.000 1.030 773 V CA 0.200 62.458 62.300 -0.071 0.000 1.033 773 V CB -0.193 31.585 31.823 -0.074 0.000 0.993 773 V HN 0.484 nan 8.190 nan 0.000 0.477 774 H N 3.423 122.433 119.070 -0.101 0.000 2.582 774 H HA 0.179 4.736 4.556 0.001 0.000 0.345 774 H C 1.204 176.431 175.328 -0.169 0.000 1.104 774 H CA -0.028 55.944 56.048 -0.128 0.000 1.390 774 H CB 1.016 30.717 29.762 -0.100 0.000 1.461 774 H HN 0.739 nan 8.280 nan 0.000 0.551 775 E N 3.285 123.167 120.200 -0.529 0.000 2.160 775 E HA -0.165 4.185 4.350 0.001 0.000 0.195 775 E C 1.612 178.030 176.600 -0.303 0.000 0.991 775 E CA 1.019 57.200 56.400 -0.365 0.000 0.810 775 E CB 0.090 29.543 29.700 -0.413 0.000 0.742 775 E HN 0.660 nan 8.360 nan 0.000 0.466 776 L N 0.783 121.863 121.223 -0.238 0.000 2.395 776 L HA -0.095 4.246 4.340 0.001 0.000 0.218 776 L C 2.087 178.451 176.870 -0.844 0.000 1.130 776 L CA 0.647 55.136 54.840 -0.584 0.000 0.826 776 L CB -0.208 41.477 42.059 -0.623 0.000 0.941 776 L HN 0.074 nan 8.230 nan 0.000 0.451 777 E N 0.463 120.472 120.200 -0.318 0.000 2.153 777 E HA -0.186 4.165 4.350 0.001 0.000 0.194 777 E C 2.276 178.817 176.600 -0.097 0.000 0.988 777 E CA 0.958 57.300 56.400 -0.096 0.000 0.811 777 E CB -0.087 29.646 29.700 0.054 0.000 0.746 777 E HN 0.504 nan 8.360 nan 0.000 0.466 778 L N 0.799 121.934 121.223 -0.147 0.000 2.083 778 L HA -0.182 4.158 4.340 0.001 0.000 0.209 778 L C 2.296 179.109 176.870 -0.095 0.000 1.083 778 L CA 0.509 55.291 54.840 -0.097 0.000 0.752 778 L CB -0.427 41.570 42.059 -0.103 0.000 0.899 778 L HN 0.192 nan 8.230 nan 0.000 0.433 779 I N -0.862 119.552 120.570 -0.260 0.000 2.233 779 I HA -0.251 3.920 4.170 0.001 0.000 0.243 779 I C 2.537 178.575 176.117 -0.131 0.000 1.093 779 I CA 1.662 62.822 61.300 -0.234 0.000 1.380 779 I CB -1.413 36.282 38.000 -0.508 0.000 1.067 779 I HN 0.225 nan 8.210 nan 0.000 0.413 780 Y N 0.305 120.486 120.300 -0.198 0.000 2.145 780 Y HA -0.265 4.286 4.550 0.001 0.000 0.286 780 Y C 2.982 178.941 175.900 0.098 0.000 1.145 780 Y CA 1.512 59.522 58.100 -0.151 0.000 1.148 780 Y CB -0.692 37.685 38.460 -0.138 0.000 0.981 780 Y HN 0.260 nan 8.280 nan 0.000 0.507 781 H N 0.323 119.471 119.070 0.129 0.000 2.352 781 H HA -0.149 4.408 4.556 0.002 0.000 0.299 781 H C 1.811 177.149 175.328 0.016 0.000 1.097 781 H CA 2.108 58.199 56.048 0.072 0.000 1.311 781 H CB -0.035 29.744 29.762 0.028 0.000 1.377 781 H HN 0.313 nan 8.280 nan 0.000 0.504 782 T N 0.265 114.848 114.554 0.049 0.000 2.674 782 T HA -0.134 4.217 4.350 0.001 0.000 0.265 782 T C 1.661 176.105 174.700 -0.425 0.000 1.039 782 T CA 1.414 63.393 62.100 -0.201 0.000 1.150 782 T CB -0.504 68.179 68.868 -0.308 0.000 0.864 782 T HN 0.219 nan 8.240 nan 0.000 0.427 783 F N 1.348 121.198 119.950 -0.168 0.000 2.797 783 F HA 0.401 4.929 4.527 0.001 0.000 0.302 783 F C 1.486 177.265 175.800 -0.036 0.000 1.130 783 F CA 0.082 57.982 58.000 -0.167 0.000 1.387 783 F CB -0.126 38.936 39.000 0.104 0.000 1.107 783 F HN 0.321 nan 8.300 nan 0.000 0.577 784 G N 0.677 109.519 108.800 0.071 0.000 3.338 784 G HA2 -0.209 3.752 3.960 0.001 0.000 0.686 784 G HA3 -0.209 3.752 3.960 0.001 0.000 0.686 784 G C 0.331 175.130 174.900 -0.167 0.000 1.053 784 G CA -0.489 44.517 45.100 -0.156 0.000 0.852 784 G HN 0.249 nan 8.290 nan 0.000 0.545 785 R N 1.131 121.584 120.500 -0.079 0.000 2.096 785 R HA -0.125 4.216 4.340 0.001 0.000 0.235 785 R C 2.572 178.857 176.300 -0.026 0.000 1.127 785 R CA 2.140 58.274 56.100 0.057 0.000 0.968 785 R CB -0.300 30.049 30.300 0.083 0.000 0.861 785 R HN 0.912 nan 8.270 nan 0.000 0.440 786 H N -0.913 118.163 119.070 0.010 0.000 2.421 786 H HA -0.005 4.552 4.556 0.002 0.000 0.298 786 H C 0.875 176.132 175.328 -0.119 0.000 1.087 786 H CA 0.908 56.928 56.048 -0.047 0.000 1.330 786 H CB -0.462 29.269 29.762 -0.051 0.000 1.388 786 H HN 0.229 nan 8.280 nan 0.000 0.526 787 N N 0.424 118.824 118.700 -0.500 0.000 2.571 787 N HA -0.042 4.699 4.740 0.001 0.000 0.189 787 N C 0.299 175.297 175.510 -0.854 0.000 1.154 787 N CA 0.627 53.298 53.050 -0.632 0.000 0.907 787 N CB -0.053 37.926 38.487 -0.846 0.000 0.977 787 N HN 0.413 nan 8.380 nan 0.000 0.449 788 F N -0.161 119.706 119.950 -0.137 0.000 2.817 788 F HA 0.286 4.814 4.527 0.002 0.000 0.333 788 F C 0.548 176.222 175.800 -0.211 0.000 1.085 788 F CA -0.456 57.429 58.000 -0.192 0.000 1.170 788 F CB 0.376 39.168 39.000 -0.346 0.000 1.066 788 F HN -0.268 nan 8.300 nan 0.000 0.564 789 K N 1.098 121.480 120.400 -0.029 0.000 3.069 789 K HA -0.214 4.106 4.320 0.001 0.000 0.267 789 K C -0.516 176.038 176.600 -0.075 0.000 1.082 789 K CA 0.775 57.040 56.287 -0.037 0.000 0.782 789 K CB -1.487 30.998 32.500 -0.025 0.000 1.230 789 K HN 0.324 nan 8.250 nan 0.000 0.488 790 K N 0.037 120.347 120.400 -0.150 0.000 2.443 790 K HA 0.323 4.644 4.320 0.001 0.000 0.251 790 K C -0.053 176.460 176.600 -0.145 0.000 0.972 790 K CA -0.760 55.398 56.287 -0.214 0.000 0.833 790 K CB 2.169 34.408 32.500 -0.434 0.000 1.317 790 K HN 0.005 nan 8.250 nan 0.000 0.441 791 T N -0.006 114.513 114.554 -0.059 0.000 2.868 791 T HA 0.125 4.476 4.350 0.001 0.000 0.292 791 T C 0.625 175.382 174.700 0.094 0.000 1.028 791 T CA 0.090 62.206 62.100 0.026 0.000 1.059 791 T CB 0.351 69.246 68.868 0.045 0.000 0.991 791 T HN 0.728 nan 8.240 nan 0.000 0.531 792 T N 0.650 115.277 114.554 0.122 0.000 3.380 792 T HA 0.503 4.853 4.350 0.001 0.000 0.289 792 T C 1.664 176.436 174.700 0.120 0.000 1.012 792 T CA 0.135 62.328 62.100 0.154 0.000 0.944 792 T CB -0.106 68.888 68.868 0.210 0.000 1.172 792 T HN 0.595 nan 8.240 nan 0.000 0.502 793 A N 2.927 125.809 122.820 0.104 0.000 1.917 793 A HA -0.169 4.152 4.320 0.001 0.000 0.219 793 A C 2.352 179.993 177.584 0.095 0.000 1.182 793 A CA 1.743 53.841 52.037 0.101 0.000 0.633 793 A CB -0.678 18.381 19.000 0.099 0.000 0.819 793 A HN 0.624 nan 8.150 nan 0.000 0.448 794 N N -0.390 118.360 118.700 0.083 0.000 2.142 794 N HA -0.138 4.603 4.740 0.001 0.000 0.186 794 N C 1.685 177.252 175.510 0.094 0.000 1.023 794 N CA 1.595 54.688 53.050 0.072 0.000 0.852 794 N CB -0.443 38.072 38.487 0.046 0.000 0.998 794 N HN 0.445 nan 8.380 nan 0.000 0.424 795 L N 2.227 123.503 121.223 0.089 0.000 2.056 795 L HA -0.098 4.243 4.340 0.001 0.000 0.207 795 L C 1.524 178.441 176.870 0.078 0.000 1.078 795 L CA 1.802 56.696 54.840 0.090 0.000 0.749 795 L CB -0.742 41.323 42.059 0.010 0.000 0.901 795 L HN -0.019 nan 8.230 nan 0.000 0.433 796 D N -0.215 120.229 120.400 0.074 0.000 2.116 796 D HA -0.232 4.409 4.640 0.001 0.000 0.193 796 D C 2.289 178.638 176.300 0.082 0.000 0.998 796 D CA 1.919 55.965 54.000 0.077 0.000 0.836 796 D CB -0.241 40.621 40.800 0.103 0.000 0.951 796 D HN 0.397 nan 8.370 nan 0.000 0.449 797 L N -0.415 120.871 121.223 0.104 0.000 2.156 797 L HA -0.102 4.238 4.340 0.001 0.000 0.208 797 L C 2.329 179.269 176.870 0.115 0.000 1.095 797 L CA 0.375 55.278 54.840 0.104 0.000 0.770 797 L CB -0.273 41.848 42.059 0.104 0.000 0.914 797 L HN -0.053 nan 8.230 nan 0.000 0.439 798 F N 0.537 120.463 119.950 -0.040 0.000 2.259 798 F HA -0.102 4.426 4.527 0.001 0.000 0.298 798 F C 2.045 177.807 175.800 -0.064 0.000 1.088 798 F CA 1.185 59.140 58.000 -0.074 0.000 1.358 798 F CB -0.089 38.874 39.000 -0.061 0.000 1.040 798 F HN -0.111 nan 8.300 nan 0.000 0.505 799 L N -0.324 120.827 121.223 -0.120 0.000 2.131 799 L HA -0.109 4.231 4.340 0.001 0.000 0.206 799 L C 2.682 179.502 176.870 -0.083 0.000 1.087 799 L CA 1.076 55.799 54.840 -0.194 0.000 0.767 799 L CB -0.614 41.362 42.059 -0.140 0.000 0.917 799 L HN 0.022 nan 8.230 nan 0.000 0.441 800 R N 0.613 121.106 120.500 -0.010 0.000 2.096 800 R HA -0.228 4.112 4.340 0.001 0.000 0.235 800 R C 2.377 178.699 176.300 0.037 0.000 1.127 800 R CA 1.485 57.611 56.100 0.044 0.000 0.968 800 R CB -0.081 30.261 30.300 0.069 0.000 0.861 800 R HN 0.107 nan 8.270 nan 0.000 0.440 801 R N -0.233 120.254 120.500 -0.022 0.000 2.127 801 R HA -0.161 4.180 4.340 0.001 0.000 0.238 801 R C 1.902 178.171 176.300 -0.051 0.000 1.134 801 R CA 1.676 57.748 56.100 -0.046 0.000 0.975 801 R CB -0.651 29.584 30.300 -0.108 0.000 0.865 801 R HN 0.294 nan 8.270 nan 0.000 0.447 802 F N 0.968 120.792 119.950 -0.209 0.000 2.102 802 F HA -0.210 4.318 4.527 0.001 0.000 0.298 802 F C 1.751 177.488 175.800 -0.105 0.000 1.105 802 F CA 1.871 59.766 58.000 -0.175 0.000 1.239 802 F CB -0.220 38.655 39.000 -0.209 0.000 0.991 802 F HN 0.122 nan 8.300 nan 0.000 0.474 803 N N 0.332 119.111 118.700 0.130 0.000 2.188 803 N HA -0.203 4.537 4.740 0.001 0.000 0.184 803 N C 1.902 177.468 175.510 0.094 0.000 1.018 803 N CA 1.359 54.450 53.050 0.069 0.000 0.858 803 N CB -0.578 38.029 38.487 0.200 0.000 0.989 803 N HN 0.529 nan 8.380 nan 0.000 0.426 804 E N 1.074 121.335 120.200 0.101 0.000 2.058 804 E HA -0.130 4.221 4.350 0.001 0.000 0.194 804 E C 1.970 178.624 176.600 0.089 0.000 0.997 804 E CA 0.897 57.363 56.400 0.111 0.000 0.801 804 E CB -0.023 29.705 29.700 0.046 0.000 0.746 804 E HN 0.280 nan 8.360 nan 0.000 0.450 805 I N 0.852 121.416 120.570 -0.010 0.000 2.252 805 I HA -0.267 3.903 4.170 0.001 0.000 0.245 805 I C 2.868 178.983 176.117 -0.004 0.000 1.102 805 I CA 1.034 62.359 61.300 0.041 0.000 1.385 805 I CB -0.364 37.592 38.000 -0.073 0.000 1.064 805 I HN 0.271 nan 8.210 nan 0.000 0.414 806 Q N 1.123 120.786 119.800 -0.228 0.000 2.002 806 Q HA -0.234 4.106 4.340 0.001 0.000 0.204 806 Q C 2.312 178.159 176.000 -0.255 0.000 0.988 806 Q CA 2.138 57.726 55.803 -0.358 0.000 0.843 806 Q CB -0.215 28.213 28.738 -0.516 0.000 0.908 806 Q HN 0.451 nan 8.270 nan 0.000 0.420 807 F N -1.097 118.831 119.950 -0.036 0.000 2.293 807 F HA -0.190 4.338 4.527 0.001 0.000 0.300 807 F C 1.998 177.810 175.800 0.020 0.000 1.086 807 F CA 0.541 58.535 58.000 -0.010 0.000 1.375 807 F CB -0.229 38.784 39.000 0.021 0.000 1.045 807 F HN 0.383 nan 8.300 nan 0.000 0.516 808 W N 0.694 122.000 121.300 0.010 0.000 2.363 808 W HA -0.175 4.486 4.660 0.001 0.000 0.296 808 W C 1.913 178.352 176.519 -0.133 0.000 1.212 808 W CA 1.468 58.785 57.345 -0.048 0.000 1.260 808 W CB -0.742 28.668 29.460 -0.083 0.000 1.131 808 W HN -0.207 nan 8.180 nan 0.000 0.530 809 V N 0.448 120.023 119.914 -0.565 0.000 2.307 809 V HA -0.309 3.812 4.120 0.001 0.000 0.245 809 V C 2.230 178.009 176.094 -0.525 0.000 1.045 809 V CA 1.968 63.592 62.300 -1.128 0.000 1.024 809 V CB -1.352 29.773 31.823 -1.163 0.000 0.651 809 V HN 0.100 nan 8.190 nan 0.000 0.449 810 V N -0.182 119.586 119.914 -0.244 0.000 2.343 810 V HA -0.283 3.838 4.120 0.001 0.000 0.247 810 V C 2.559 178.649 176.094 -0.007 0.000 1.051 810 V CA 2.613 64.872 62.300 -0.068 0.000 1.036 810 V CB -1.130 30.736 31.823 0.071 0.000 0.654 810 V HN 0.591 nan 8.190 nan 0.000 0.451 811 T N -0.398 114.174 114.554 0.030 0.000 2.643 811 T HA -0.176 4.175 4.350 0.001 0.000 0.264 811 T C 1.927 176.661 174.700 0.057 0.000 1.045 811 T CA 1.606 63.745 62.100 0.065 0.000 1.155 811 T CB -0.255 68.684 68.868 0.118 0.000 0.863 811 T HN 0.468 nan 8.240 nan 0.000 0.420 812 E N 0.633 120.860 120.200 0.045 0.000 2.106 812 E HA -0.038 4.313 4.350 0.001 0.000 0.192 812 E C 2.481 179.144 176.600 0.105 0.000 0.984 812 E CA 0.550 57.029 56.400 0.132 0.000 0.806 812 E CB -0.561 29.283 29.700 0.240 0.000 0.750 812 E HN 0.297 nan 8.360 nan 0.000 0.458 813 V N 0.832 120.783 119.914 0.062 0.000 2.295 813 V HA -0.271 3.849 4.120 0.001 0.000 0.246 813 V C 2.499 178.589 176.094 -0.006 0.000 1.049 813 V CA 1.604 63.913 62.300 0.015 0.000 1.024 813 V CB -0.482 31.317 31.823 -0.041 0.000 0.648 813 V HN 0.314 nan 8.190 nan 0.000 0.447 814 C N -0.644 118.658 119.300 0.004 0.000 2.446 814 C HA 0.016 4.477 4.460 0.001 0.000 0.279 814 C C 2.469 177.470 174.990 0.018 0.000 1.366 814 C CA 0.460 59.483 59.018 0.009 0.000 1.763 814 C CB -1.020 26.732 27.740 0.021 0.000 1.929 814 C HN 0.512 nan 8.230 nan 0.000 0.509 815 L N -0.482 120.761 121.223 0.034 0.000 2.492 815 L HA 0.054 4.395 4.340 0.001 0.000 0.223 815 L C 1.230 178.115 176.870 0.026 0.000 1.132 815 L CA 0.123 54.987 54.840 0.040 0.000 0.850 815 L CB -0.164 41.936 42.059 0.067 0.000 0.966 815 L HN 0.357 nan 8.230 nan 0.000 0.454 816 C N 0.466 119.774 119.300 0.013 0.000 2.540 816 C HA 0.124 4.584 4.460 0.001 0.000 0.377 816 C C 2.061 177.037 174.990 -0.022 0.000 1.274 816 C CA -0.120 58.890 59.018 -0.012 0.000 1.718 816 C CB -0.056 27.663 27.740 -0.034 0.000 2.391 816 C HN 0.520 nan 8.230 nan 0.000 0.565 817 S N 3.167 118.856 115.700 -0.020 0.000 2.388 817 S HA 0.078 4.549 4.470 0.001 0.000 0.223 817 S C 0.975 175.557 174.600 -0.029 0.000 1.034 817 S CA 1.025 59.214 58.200 -0.019 0.000 0.963 817 S CB -0.518 62.676 63.200 -0.011 0.000 0.827 817 S HN 1.101 nan 8.310 nan 0.000 0.481 818 Q N 1.395 121.172 119.800 -0.038 0.000 2.314 818 Q HA 0.672 5.013 4.340 0.001 0.000 0.258 818 Q C 0.796 176.760 176.000 -0.061 0.000 0.954 818 Q CA -0.091 55.684 55.803 -0.046 0.000 0.890 818 Q CB 0.177 28.886 28.738 -0.048 0.000 1.210 818 Q HN 0.412 nan 8.270 nan 0.000 0.410 819 L N 2.135 123.323 121.223 -0.059 0.000 2.056 819 L HA -0.088 4.253 4.340 0.001 0.000 0.207 819 L C 2.576 179.393 176.870 -0.090 0.000 1.078 819 L CA 2.888 57.684 54.840 -0.073 0.000 0.749 819 L CB -0.721 41.303 42.059 -0.058 0.000 0.901 819 L HN 0.843 nan 8.230 nan 0.000 0.433 820 S N -0.317 115.337 115.700 -0.078 0.000 2.365 820 S HA -0.290 4.180 4.470 0.001 0.000 0.225 820 S C 2.234 176.768 174.600 -0.109 0.000 1.039 820 S CA 2.256 60.405 58.200 -0.085 0.000 1.033 820 S CB -0.367 62.792 63.200 -0.069 0.000 0.887 820 S HN 0.607 nan 8.310 nan 0.000 0.447 821 K N 0.852 121.188 120.400 -0.107 0.000 2.296 821 K HA 0.222 4.543 4.320 0.001 0.000 0.200 821 K C 2.037 178.548 176.600 -0.149 0.000 1.048 821 K CA 1.024 57.234 56.287 -0.129 0.000 0.966 821 K CB -0.617 31.815 32.500 -0.113 0.000 0.754 821 K HN 0.592 nan 8.250 nan 0.000 0.466 822 R N -0.068 120.350 120.500 -0.137 0.000 2.115 822 R HA -0.006 4.335 4.340 0.001 0.000 0.226 822 R C 2.044 178.218 176.300 -0.211 0.000 1.100 822 R CA 1.114 57.123 56.100 -0.152 0.000 0.980 822 R CB -0.268 29.953 30.300 -0.131 0.000 0.875 822 R HN 0.236 nan 8.270 nan 0.000 0.445 823 V N 0.931 120.717 119.914 -0.213 0.000 2.427 823 V HA -0.206 3.915 4.120 0.001 0.000 0.248 823 V C 2.199 178.130 176.094 -0.272 0.000 1.051 823 V CA 1.446 63.592 62.300 -0.257 0.000 1.048 823 V CB -0.335 31.368 31.823 -0.201 0.000 0.666 823 V HN 0.359 nan 8.190 nan 0.000 0.456 824 Q N -0.305 119.351 119.800 -0.240 0.000 2.226 824 Q HA -0.099 4.242 4.340 0.001 0.000 0.204 824 Q C 2.242 178.061 176.000 -0.301 0.000 0.975 824 Q CA 1.371 57.017 55.803 -0.262 0.000 0.866 824 Q CB -0.313 28.291 28.738 -0.224 0.000 0.915 824 Q HN 0.561 nan 8.270 nan 0.000 0.440 825 L N -0.098 120.955 121.223 -0.285 0.000 2.027 825 L HA -0.155 4.186 4.340 0.001 0.000 0.206 825 L C 2.414 179.136 176.870 -0.247 0.000 1.074 825 L CA 0.794 55.442 54.840 -0.319 0.000 0.745 825 L CB -0.558 41.395 42.059 -0.176 0.000 0.898 825 L HN 0.193 nan 8.230 nan 0.000 0.433 826 L N -0.032 121.067 121.223 -0.206 0.000 2.042 826 L HA -0.279 4.062 4.340 0.001 0.000 0.210 826 L C 2.727 179.488 176.870 -0.182 0.000 1.076 826 L CA 1.515 56.227 54.840 -0.213 0.000 0.749 826 L CB -0.637 41.107 42.059 -0.525 0.000 0.893 826 L HN 0.329 nan 8.230 nan 0.000 0.432 827 K N 0.849 121.055 120.400 -0.324 0.000 2.032 827 K HA -0.269 4.051 4.320 0.001 0.000 0.209 827 K C 2.234 178.679 176.600 -0.257 0.000 1.048 827 K CA 1.895 57.879 56.287 -0.506 0.000 0.927 827 K CB 0.026 32.118 32.500 -0.680 0.000 0.712 827 K HN 0.108 nan 8.250 nan 0.000 0.441 828 K N -0.224 120.034 120.400 -0.237 0.000 2.062 828 K HA -0.080 4.241 4.320 0.001 0.000 0.205 828 K C 1.897 178.465 176.600 -0.053 0.000 1.051 828 K CA 1.328 57.512 56.287 -0.172 0.000 0.941 828 K CB -0.175 32.133 32.500 -0.319 0.000 0.719 828 K HN 0.091 nan 8.250 nan 0.000 0.440 829 F N 0.764 120.720 119.950 0.010 0.000 2.216 829 F HA -0.113 4.415 4.527 0.002 0.000 0.300 829 F C 1.969 177.835 175.800 0.111 0.000 1.085 829 F CA 0.655 58.665 58.000 0.017 0.000 1.326 829 F CB -0.034 38.905 39.000 -0.102 0.000 1.027 829 F HN -0.003 nan 8.300 nan 0.000 0.497 830 I N -0.023 120.748 120.570 0.335 0.000 2.252 830 I HA -0.283 3.888 4.170 0.001 0.000 0.245 830 I C 2.260 178.632 176.117 0.424 0.000 1.102 830 I CA 1.374 62.943 61.300 0.447 0.000 1.385 830 I CB -0.395 37.919 38.000 0.523 0.000 1.064 830 I HN 0.049 nan 8.210 nan 0.000 0.414 831 K N 0.808 121.418 120.400 0.350 0.000 2.057 831 K HA -0.134 4.187 4.320 0.001 0.000 0.207 831 K C 2.064 178.862 176.600 0.329 0.000 1.049 831 K CA 1.436 57.906 56.287 0.305 0.000 0.931 831 K CB -0.135 32.553 32.500 0.312 0.000 0.714 831 K HN 0.277 nan 8.250 nan 0.000 0.440 832 I N 0.724 121.496 120.570 0.338 0.000 2.315 832 I HA -0.243 3.928 4.170 0.001 0.000 0.248 832 I C 2.431 178.738 176.117 0.316 0.000 1.117 832 I CA 0.919 62.438 61.300 0.366 0.000 1.404 832 I CB -0.314 37.915 38.000 0.381 0.000 1.071 832 I HN 0.132 nan 8.210 nan 0.000 0.419 833 A N 0.857 123.832 122.820 0.259 0.000 1.902 833 A HA -0.170 4.151 4.320 0.001 0.000 0.217 833 A C 2.561 180.225 177.584 0.134 0.000 1.181 833 A CA 1.870 54.009 52.037 0.170 0.000 0.623 833 A CB -0.821 18.180 19.000 0.002 0.000 0.818 833 A HN 0.421 nan 8.150 nan 0.000 0.443 834 A N -1.012 121.864 122.820 0.094 0.000 1.877 834 A HA -0.207 4.114 4.320 0.001 0.000 0.216 834 A C 2.070 179.575 177.584 -0.131 0.000 1.186 834 A CA 1.625 53.635 52.037 -0.046 0.000 0.620 834 A CB -0.948 17.978 19.000 -0.123 0.000 0.822 834 A HN 0.665 nan 8.150 nan 0.000 0.443 835 H N -1.160 117.947 119.070 0.063 0.000 2.423 835 H HA -0.104 4.452 4.556 0.001 0.000 0.297 835 H C 2.413 177.819 175.328 0.131 0.000 1.075 835 H CA 1.341 57.413 56.048 0.041 0.000 1.342 835 H CB -0.512 29.329 29.762 0.132 0.000 1.395 835 H HN 0.541 nan 8.280 nan 0.000 0.530 836 C N 0.881 120.370 119.300 0.315 0.000 2.413 836 C HA -0.121 4.339 4.460 0.001 0.000 0.276 836 C C 2.855 177.942 174.990 0.162 0.000 1.236 836 C CA 0.908 60.108 59.018 0.304 0.000 1.735 836 C CB -0.527 27.370 27.740 0.263 0.000 2.031 836 C HN 0.514 nan 8.230 nan 0.000 0.474 837 K N 0.493 120.867 120.400 -0.043 0.000 2.097 837 K HA -0.206 4.115 4.320 0.001 0.000 0.206 837 K C 1.953 178.481 176.600 -0.120 0.000 1.049 837 K CA 1.669 57.793 56.287 -0.273 0.000 0.933 837 K CB -0.157 31.915 32.500 -0.713 0.000 0.717 837 K HN 0.395 nan 8.250 nan 0.000 0.442 838 E N -0.359 119.785 120.200 -0.093 0.000 2.110 838 E HA -0.169 4.182 4.350 0.001 0.000 0.193 838 E C 1.101 177.689 176.600 -0.021 0.000 0.988 838 E CA 1.319 57.657 56.400 -0.103 0.000 0.804 838 E CB -0.093 29.495 29.700 -0.188 0.000 0.745 838 E HN 0.347 nan 8.360 nan 0.000 0.458 839 Y N 0.625 121.031 120.300 0.177 0.000 2.578 839 Y HA 0.152 4.703 4.550 0.001 0.000 0.297 839 Y C 0.423 176.488 175.900 0.275 0.000 1.176 839 Y CA 0.692 58.967 58.100 0.293 0.000 1.315 839 Y CB -0.005 38.677 38.460 0.370 0.000 1.031 839 Y HN -0.054 nan 8.280 nan 0.000 0.524 840 K N -0.267 120.287 120.400 0.257 0.000 3.230 840 K HA -0.254 4.067 4.320 0.001 0.000 0.285 840 K C -0.272 176.406 176.600 0.130 0.000 1.196 840 K CA 0.656 57.041 56.287 0.164 0.000 0.838 840 K CB -1.506 31.111 32.500 0.195 0.000 1.262 840 K HN 0.167 nan 8.250 nan 0.000 0.492 841 N N 1.677 120.457 118.700 0.133 0.000 2.868 841 N HA 0.148 4.889 4.740 0.001 0.000 0.252 841 N C 0.723 176.283 175.510 0.084 0.000 1.130 841 N CA -0.088 52.984 53.050 0.037 0.000 1.026 841 N CB 0.208 38.720 38.487 0.042 0.000 1.335 841 N HN 0.243 nan 8.380 nan 0.000 0.516 842 L N 1.026 122.301 121.223 0.086 0.000 2.217 842 L HA -0.052 4.289 4.340 0.001 0.000 0.211 842 L C 1.933 179.033 176.870 0.383 0.000 1.107 842 L CA 0.325 55.328 54.840 0.273 0.000 0.783 842 L CB -0.319 41.933 42.059 0.322 0.000 0.919 842 L HN 0.388 nan 8.230 nan 0.000 0.442 843 N N 0.323 119.117 118.700 0.157 0.000 2.006 843 N HA -0.186 4.555 4.740 0.001 0.000 0.196 843 N C 1.967 177.583 175.510 0.176 0.000 1.057 843 N CA 2.067 55.218 53.050 0.168 0.000 0.853 843 N CB -0.154 38.294 38.487 -0.063 0.000 1.051 843 N HN 0.031 nan 8.380 nan 0.000 0.423 844 S N -0.448 115.282 115.700 0.050 0.000 2.399 844 S HA -0.095 4.376 4.470 0.001 0.000 0.231 844 S C 1.665 176.267 174.600 0.004 0.000 1.022 844 S CA 0.833 59.026 58.200 -0.013 0.000 0.983 844 S CB -0.551 62.657 63.200 0.014 0.000 0.803 844 S HN 0.473 nan 8.310 nan 0.000 0.480 845 F N 1.646 121.562 119.950 -0.057 0.000 2.069 845 F HA -0.157 4.371 4.527 0.001 0.000 0.298 845 F C 1.729 177.383 175.800 -0.243 0.000 1.113 845 F CA 1.443 59.345 58.000 -0.163 0.000 1.214 845 F CB -0.574 38.302 39.000 -0.206 0.000 0.978 845 F HN 0.149 nan 8.300 nan 0.000 0.474 846 F N 0.577 120.339 119.950 -0.314 0.000 2.171 846 F HA -0.103 4.425 4.527 0.001 0.000 0.300 846 F C 2.589 178.075 175.800 -0.523 0.000 1.090 846 F CA 1.383 59.086 58.000 -0.495 0.000 1.293 846 F CB -1.159 37.502 39.000 -0.565 0.000 1.013 846 F HN 0.115 nan 8.300 nan 0.000 0.486 847 A N 0.210 122.699 122.820 -0.552 0.000 1.902 847 A HA -0.164 4.157 4.320 0.001 0.000 0.217 847 A C 2.217 179.461 177.584 -0.567 0.000 1.181 847 A CA 1.710 53.104 52.037 -1.071 0.000 0.623 847 A CB -1.029 17.298 19.000 -1.122 0.000 0.818 847 A HN 0.387 nan 8.150 nan 0.000 0.443 848 I N -0.545 119.788 120.570 -0.396 0.000 2.163 848 I HA -0.200 3.971 4.170 0.001 0.000 0.240 848 I C 2.345 178.280 176.117 -0.304 0.000 1.081 848 I CA 1.151 62.270 61.300 -0.303 0.000 1.353 848 I CB -0.320 37.586 38.000 -0.156 0.000 1.054 848 I HN 0.148 nan 8.210 nan 0.000 0.407 849 V N 0.420 120.094 119.914 -0.400 0.000 2.392 849 V HA -0.330 3.791 4.120 0.001 0.000 0.249 849 V C 2.449 178.463 176.094 -0.133 0.000 1.059 849 V CA 1.845 63.984 62.300 -0.267 0.000 1.051 849 V CB -0.545 30.903 31.823 -0.625 0.000 0.658 849 V HN 0.402 nan 8.190 nan 0.000 0.455 850 M N 0.074 119.555 119.600 -0.198 0.000 2.099 850 M HA -0.093 4.388 4.480 0.001 0.000 0.262 850 M C 2.313 178.535 176.300 -0.129 0.000 1.067 850 M CA 2.141 57.377 55.300 -0.106 0.000 1.124 850 M CB -0.877 31.691 32.600 -0.053 0.000 1.353 850 M HN 0.506 nan 8.290 nan 0.000 0.410 851 G N 0.013 108.676 108.800 -0.228 0.000 2.432 851 G HA2 -0.200 3.761 3.960 0.001 0.000 0.219 851 G HA3 -0.200 3.761 3.960 0.001 0.000 0.219 851 G C 1.294 176.094 174.900 -0.167 0.000 1.135 851 G CA 0.463 45.416 45.100 -0.245 0.000 0.767 851 G HN 0.273 nan 8.290 nan 0.000 0.550 852 L N 0.797 121.945 121.223 -0.125 0.000 2.376 852 L HA 0.203 4.544 4.340 0.001 0.000 0.219 852 L C 2.461 179.407 176.870 0.128 0.000 1.133 852 L CA 1.163 55.999 54.840 -0.006 0.000 0.816 852 L CB 0.040 42.121 42.059 0.036 0.000 0.933 852 L HN 0.115 nan 8.230 nan 0.000 0.449 853 S N -1.196 114.565 115.700 0.103 0.000 2.535 853 S HA 0.079 4.549 4.470 0.001 0.000 0.214 853 S C 0.838 175.468 174.600 0.050 0.000 0.980 853 S CA -0.382 57.884 58.200 0.109 0.000 0.907 853 S CB -0.364 62.889 63.200 0.087 0.000 0.790 853 S HN 0.451 nan 8.310 nan 0.000 0.510 854 N N 1.931 120.645 118.700 0.023 0.000 2.294 854 N HA -0.054 4.687 4.740 0.001 0.000 0.248 854 N C 1.327 176.864 175.510 0.045 0.000 1.242 854 N CA 0.191 53.253 53.050 0.020 0.000 0.848 854 N CB 0.808 39.295 38.487 -0.000 0.000 1.084 854 N HN -0.069 nan 8.380 nan 0.000 0.457 855 V N 3.649 123.590 119.914 0.046 0.000 2.324 855 V HA -0.266 3.855 4.120 0.001 0.000 0.250 855 V C 2.271 178.388 176.094 0.039 0.000 1.060 855 V CA 2.360 64.687 62.300 0.044 0.000 1.042 855 V CB -1.086 30.770 31.823 0.054 0.000 0.650 855 V HN 0.837 nan 8.190 nan 0.000 0.450 856 A N -0.837 122.008 122.820 0.042 0.000 2.172 856 A HA -0.038 4.283 4.320 0.001 0.000 0.216 856 A C 2.165 179.767 177.584 0.029 0.000 1.154 856 A CA 1.735 53.785 52.037 0.022 0.000 0.701 856 A CB -0.277 18.748 19.000 0.041 0.000 0.789 856 A HN 0.412 nan 8.150 nan 0.000 0.465 857 V N -1.880 118.076 119.914 0.071 0.000 3.212 857 V HA -0.026 4.095 4.120 0.001 0.000 0.244 857 V C 2.387 178.677 176.094 0.326 0.000 1.151 857 V CA 1.368 63.749 62.300 0.135 0.000 1.119 857 V CB 0.035 31.920 31.823 0.104 0.000 0.838 857 V HN 0.443 nan 8.190 nan 0.000 0.470 858 S N 0.106 115.926 115.700 0.200 0.000 2.402 858 S HA -0.118 4.353 4.470 0.001 0.000 0.229 858 S C 2.065 176.726 174.600 0.102 0.000 1.021 858 S CA 1.151 59.411 58.200 0.100 0.000 0.974 858 S CB -0.253 62.936 63.200 -0.019 0.000 0.800 858 S HN 0.449 nan 8.310 nan 0.000 0.484 859 R N 0.719 121.268 120.500 0.080 0.000 2.127 859 R HA 0.004 4.345 4.340 0.001 0.000 0.238 859 R C 0.337 176.682 176.300 0.075 0.000 1.134 859 R CA 0.705 56.824 56.100 0.031 0.000 0.975 859 R CB -0.447 29.816 30.300 -0.062 0.000 0.865 859 R HN 0.371 nan 8.270 nan 0.000 0.447 860 L N 1.371 122.684 121.223 0.149 0.000 2.436 860 L HA 0.071 4.412 4.340 0.001 0.000 0.244 860 L C 1.616 178.635 176.870 0.247 0.000 1.396 860 L CA -0.525 54.389 54.840 0.123 0.000 1.217 860 L CB 0.156 42.231 42.059 0.026 0.000 1.420 860 L HN 0.159 nan 8.230 nan 0.000 0.434 861 A N 1.671 124.604 122.820 0.189 0.000 1.940 861 A HA -0.170 4.151 4.320 0.001 0.000 0.219 861 A C 2.122 179.797 177.584 0.152 0.000 1.176 861 A CA 1.496 53.647 52.037 0.189 0.000 0.631 861 A CB -0.303 18.753 19.000 0.092 0.000 0.814 861 A HN 0.655 nan 8.150 nan 0.000 0.446 862 L N -0.752 120.517 121.223 0.078 0.000 2.141 862 L HA -0.141 4.200 4.340 0.001 0.000 0.209 862 L C 2.683 179.553 176.870 0.001 0.000 1.094 862 L CA 1.584 56.444 54.840 0.034 0.000 0.763 862 L CB -0.702 41.362 42.059 0.009 0.000 0.908 862 L HN 0.370 nan 8.230 nan 0.000 0.437 863 T N -1.652 112.878 114.554 -0.041 0.000 2.770 863 T HA -0.161 4.190 4.350 0.001 0.000 0.263 863 T C 1.412 175.985 174.700 -0.212 0.000 1.039 863 T CA 1.260 63.249 62.100 -0.185 0.000 1.142 863 T CB -0.317 68.355 68.868 -0.328 0.000 0.868 863 T HN 0.368 nan 8.240 nan 0.000 0.435 864 W N 1.780 123.052 121.300 -0.048 0.000 2.402 864 W HA 0.075 4.736 4.660 0.001 0.000 0.286 864 W C 2.460 178.965 176.519 -0.024 0.000 1.221 864 W CA 0.424 57.743 57.345 -0.043 0.000 1.257 864 W CB -0.208 29.227 29.460 -0.041 0.000 1.120 864 W HN 0.331 nan 8.180 nan 0.000 0.551 865 E N 1.301 121.611 120.200 0.183 0.000 2.085 865 E HA -0.294 4.057 4.350 0.001 0.000 0.194 865 E C 2.358 178.993 176.600 0.059 0.000 0.994 865 E CA 2.354 58.816 56.400 0.102 0.000 0.801 865 E CB -0.081 29.660 29.700 0.069 0.000 0.743 865 E HN 0.269 nan 8.360 nan 0.000 0.453 866 K N 0.630 121.042 120.400 0.020 0.000 2.418 866 K HA 0.060 4.381 4.320 0.001 0.000 0.195 866 K C 0.947 177.539 176.600 -0.014 0.000 1.035 866 K CA 0.592 56.873 56.287 -0.009 0.000 1.003 866 K CB -0.547 31.929 32.500 -0.040 0.000 0.793 866 K HN 0.150 nan 8.250 nan 0.000 0.494 867 L N 2.514 123.736 121.223 -0.002 0.000 2.418 867 L HA 0.217 4.557 4.340 0.001 0.000 0.274 867 L C -2.188 174.730 176.870 0.081 0.000 1.135 867 L CA -2.107 52.735 54.840 0.004 0.000 0.870 867 L CB 0.666 42.737 42.059 0.019 0.000 1.154 867 L HN 0.113 nan 8.230 nan 0.000 0.462 868 P HA -0.039 nan 4.420 nan 0.000 0.266 868 P C 0.520 177.921 177.300 0.168 0.000 1.186 868 P CA 0.317 63.509 63.100 0.154 0.000 0.767 868 P CB 0.412 32.266 31.700 0.255 0.000 0.820 869 S N 2.818 118.566 115.700 0.081 0.000 2.399 869 S HA -0.225 4.246 4.470 0.001 0.000 0.231 869 S C 1.584 176.149 174.600 -0.059 0.000 1.022 869 S CA 1.381 59.593 58.200 0.019 0.000 0.983 869 S CB -0.753 62.439 63.200 -0.013 0.000 0.803 869 S HN 0.649 nan 8.310 nan 0.000 0.480 870 K N 0.068 120.402 120.400 -0.110 0.000 2.217 870 K HA 0.046 4.366 4.320 0.001 0.000 0.202 870 K C 1.464 177.716 176.600 -0.579 0.000 1.051 870 K CA 1.120 57.161 56.287 -0.410 0.000 0.952 870 K CB -0.532 31.705 32.500 -0.439 0.000 0.736 870 K HN 0.429 nan 8.250 nan 0.000 0.453 871 F N 1.742 121.654 119.950 -0.064 0.000 2.512 871 F HA 0.175 4.703 4.527 0.001 0.000 0.296 871 F C 2.153 178.029 175.800 0.128 0.000 1.110 871 F CA 0.560 58.645 58.000 0.142 0.000 1.446 871 F CB 0.154 39.262 39.000 0.181 0.000 1.092 871 F HN -0.093 nan 8.300 nan 0.000 0.554 872 K N 0.857 121.382 120.400 0.208 0.000 2.155 872 K HA -0.158 4.163 4.320 0.001 0.000 0.203 872 K C 2.216 178.846 176.600 0.050 0.000 1.052 872 K CA 1.179 57.572 56.287 0.177 0.000 0.948 872 K CB -0.100 32.475 32.500 0.127 0.000 0.728 872 K HN 0.286 nan 8.250 nan 0.000 0.448 873 K N 0.319 120.644 120.400 -0.126 0.000 2.103 873 K HA -0.079 4.241 4.320 0.001 0.000 0.204 873 K C 1.808 178.261 176.600 -0.246 0.000 1.052 873 K CA 1.102 57.253 56.287 -0.228 0.000 0.945 873 K CB -0.286 32.005 32.500 -0.347 0.000 0.722 873 K HN 0.043 nan 8.250 nan 0.000 0.443 874 F N 0.421 120.234 119.950 -0.229 0.000 2.102 874 F HA -0.197 4.331 4.527 0.001 0.000 0.298 874 F C 2.558 177.921 175.800 -0.729 0.000 1.105 874 F CA 0.977 58.666 58.000 -0.517 0.000 1.239 874 F CB -0.348 38.413 39.000 -0.399 0.000 0.991 874 F HN 0.019 nan 8.300 nan 0.000 0.474 875 Y N 0.798 121.014 120.300 -0.140 0.000 2.293 875 Y HA -0.128 4.422 4.550 0.001 0.000 0.291 875 Y C 2.253 178.123 175.900 -0.049 0.000 1.137 875 Y CA 0.681 58.768 58.100 -0.023 0.000 1.202 875 Y CB -0.681 37.893 38.460 0.189 0.000 0.990 875 Y HN -0.002 nan 8.280 nan 0.000 0.537 876 A N 0.095 122.848 122.820 -0.112 0.000 1.902 876 A HA -0.248 4.073 4.320 0.001 0.000 0.217 876 A C 2.242 179.719 177.584 -0.178 0.000 1.181 876 A CA 1.916 53.852 52.037 -0.169 0.000 0.623 876 A CB -0.864 18.078 19.000 -0.097 0.000 0.818 876 A HN 0.615 nan 8.150 nan 0.000 0.443 877 E N -0.927 119.169 120.200 -0.173 0.000 2.106 877 E HA -0.150 4.201 4.350 0.001 0.000 0.192 877 E C 1.731 178.373 176.600 0.071 0.000 0.984 877 E CA 1.040 57.387 56.400 -0.088 0.000 0.806 877 E CB -0.234 29.401 29.700 -0.108 0.000 0.750 877 E HN 0.757 nan 8.360 nan 0.000 0.458 878 F N 0.727 120.663 119.950 -0.024 0.000 2.206 878 F HA -0.088 4.440 4.527 0.001 0.000 0.298 878 F C 2.454 178.120 175.800 -0.224 0.000 1.090 878 F CA 0.408 58.399 58.000 -0.015 0.000 1.323 878 F CB -0.008 38.995 39.000 0.004 0.000 1.028 878 F HN 0.054 nan 8.300 nan 0.000 0.492 879 E N 0.474 120.534 120.200 -0.233 0.000 2.077 879 E HA -0.213 4.138 4.350 0.001 0.000 0.193 879 E C 2.308 178.844 176.600 -0.107 0.000 0.989 879 E CA 1.593 57.819 56.400 -0.290 0.000 0.800 879 E CB -0.156 29.280 29.700 -0.440 0.000 0.746 879 E HN 0.317 nan 8.360 nan 0.000 0.452 880 S N 0.944 116.606 115.700 -0.064 0.000 2.400 880 S HA -0.181 4.290 4.470 0.001 0.000 0.232 880 S C 2.001 176.643 174.600 0.069 0.000 1.025 880 S CA 0.857 59.053 58.200 -0.007 0.000 0.993 880 S CB -0.234 62.959 63.200 -0.012 0.000 0.808 880 S HN 0.186 nan 8.310 nan 0.000 0.478 881 L N 0.658 121.947 121.223 0.110 0.000 2.275 881 L HA 0.303 4.644 4.340 0.001 0.000 0.215 881 L C 2.183 179.226 176.870 0.287 0.000 1.119 881 L CA 1.415 56.377 54.840 0.203 0.000 0.790 881 L CB -0.601 41.582 42.059 0.207 0.000 0.919 881 L HN 0.390 nan 8.230 nan 0.000 0.443 882 M N -1.153 118.548 119.600 0.168 0.000 2.561 882 M HA 0.034 4.515 4.480 0.001 0.000 0.238 882 M C -0.021 176.439 176.300 0.266 0.000 1.131 882 M CA -0.035 55.436 55.300 0.286 0.000 1.046 882 M CB -0.354 32.302 32.600 0.093 0.000 1.532 882 M HN 0.081 nan 8.290 nan 0.000 0.497 883 D N 2.980 123.478 120.400 0.162 0.000 2.479 883 D HA -0.012 4.629 4.640 0.001 0.000 0.257 883 D C -1.436 174.821 176.300 -0.071 0.000 1.230 883 D CA -1.188 52.840 54.000 0.047 0.000 0.912 883 D CB 0.926 41.745 40.800 0.030 0.000 1.130 883 D HN 0.132 nan 8.370 nan 0.000 0.515 884 P HA -0.062 nan 4.420 nan 0.000 0.239 884 P C 0.252 177.291 177.300 -0.436 0.000 1.184 884 P CA 0.027 62.689 63.100 -0.730 0.000 0.760 884 P CB 0.163 31.622 31.700 -0.400 0.000 0.884 885 S N 1.097 116.660 115.700 -0.229 0.000 2.546 885 S HA 0.023 4.494 4.470 0.001 0.000 0.290 885 S C 0.644 175.127 174.600 -0.194 0.000 1.290 885 S CA -0.162 57.933 58.200 -0.174 0.000 1.069 885 S CB -0.651 62.477 63.200 -0.119 0.000 0.846 885 S HN 0.105 nan 8.310 nan 0.000 0.495 886 R N 2.497 122.834 120.500 -0.273 0.000 3.264 886 R HA -0.253 4.088 4.340 0.001 0.000 0.251 886 R C 0.065 176.287 176.300 -0.130 0.000 0.971 886 R CA 0.648 56.450 56.100 -0.497 0.000 0.658 886 R CB -2.297 27.584 30.300 -0.700 0.000 1.095 886 R HN 0.942 nan 8.270 nan 0.000 0.443 887 N N 0.929 119.597 118.700 -0.053 0.000 2.696 887 N HA -0.224 4.516 4.740 0.001 0.000 0.256 887 N C -0.667 174.927 175.510 0.139 0.000 1.031 887 N CA 1.644 54.718 53.050 0.040 0.000 0.730 887 N CB -0.899 37.650 38.487 0.102 0.000 0.894 887 N HN 0.646 nan 8.380 nan 0.000 0.544 888 H N -1.689 117.415 119.070 0.057 0.000 2.692 888 H HA -0.236 4.321 4.556 0.001 0.000 0.316 888 H C 1.588 177.017 175.328 0.169 0.000 1.176 888 H CA 1.215 57.343 56.048 0.134 0.000 1.142 888 H CB -0.754 29.104 29.762 0.160 0.000 1.475 888 H HN 0.645 nan 8.280 nan 0.000 0.423 889 R N 0.766 121.354 120.500 0.147 0.000 2.073 889 R HA -0.080 4.261 4.340 0.001 0.000 0.234 889 R C 2.345 178.726 176.300 0.134 0.000 1.134 889 R CA 1.477 57.646 56.100 0.115 0.000 0.952 889 R CB -0.035 30.288 30.300 0.038 0.000 0.850 889 R HN 0.388 nan 8.270 nan 0.000 0.433 890 A N 0.469 123.385 122.820 0.160 0.000 1.884 890 A HA -0.289 4.031 4.320 0.001 0.000 0.219 890 A C 2.076 179.791 177.584 0.219 0.000 1.197 890 A CA 1.823 53.977 52.037 0.195 0.000 0.637 890 A CB -1.196 17.928 19.000 0.206 0.000 0.827 890 A HN 0.675 nan 8.150 nan 0.000 0.450 891 Y N 0.224 120.651 120.300 0.211 0.000 2.181 891 Y HA -0.207 4.343 4.550 0.001 0.000 0.288 891 Y C 2.493 178.457 175.900 0.107 0.000 1.146 891 Y CA 2.249 60.480 58.100 0.217 0.000 1.164 891 Y CB -0.371 38.251 38.460 0.270 0.000 0.982 891 Y HN 0.260 nan 8.280 nan 0.000 0.515 892 R N 0.112 120.584 120.500 -0.048 0.000 2.073 892 R HA -0.134 4.207 4.340 0.001 0.000 0.234 892 R C 2.309 178.488 176.300 -0.202 0.000 1.134 892 R CA 2.053 58.061 56.100 -0.153 0.000 0.952 892 R CB -0.606 29.717 30.300 0.039 0.000 0.850 892 R HN 0.425 nan 8.270 nan 0.000 0.433 893 L N -0.682 120.439 121.223 -0.170 0.000 2.141 893 L HA -0.133 4.208 4.340 0.001 0.000 0.209 893 L C 2.106 178.673 176.870 -0.504 0.000 1.094 893 L CA 1.259 55.936 54.840 -0.272 0.000 0.763 893 L CB -0.480 41.447 42.059 -0.221 0.000 0.908 893 L HN 0.260 nan 8.230 nan 0.000 0.437 894 T N -0.118 114.144 114.554 -0.486 0.000 2.737 894 T HA -0.115 4.236 4.350 0.001 0.000 0.265 894 T C 2.043 176.583 174.700 -0.266 0.000 1.038 894 T CA 1.341 63.211 62.100 -0.383 0.000 1.144 894 T CB -0.161 68.625 68.868 -0.137 0.000 0.866 894 T HN 0.426 nan 8.240 nan 0.000 0.434 895 A N 1.322 123.926 122.820 -0.360 0.000 1.930 895 A HA 0.235 4.556 4.320 0.001 0.000 0.217 895 A C 2.583 180.106 177.584 -0.101 0.000 1.175 895 A CA 1.667 53.525 52.037 -0.297 0.000 0.627 895 A CB -0.960 17.711 19.000 -0.549 0.000 0.815 895 A HN 0.490 nan 8.150 nan 0.000 0.443 896 A N -0.276 122.489 122.820 -0.091 0.000 1.969 896 A HA -0.098 4.223 4.320 0.001 0.000 0.218 896 A C 1.959 179.568 177.584 0.042 0.000 1.169 896 A CA 1.629 53.675 52.037 0.016 0.000 0.635 896 A CB -0.318 18.672 19.000 -0.016 0.000 0.810 896 A HN 0.510 nan 8.150 nan 0.000 0.445 897 K N -0.686 119.708 120.400 -0.010 0.000 2.487 897 K HA 0.269 4.590 4.320 0.001 0.000 0.192 897 K C -0.353 176.278 176.600 0.051 0.000 1.027 897 K CA -0.099 56.203 56.287 0.025 0.000 1.054 897 K CB -0.067 32.438 32.500 0.009 0.000 0.824 897 K HN 0.417 nan 8.250 nan 0.000 0.510 898 L N 1.322 122.577 121.223 0.054 0.000 2.360 898 L HA 0.215 4.555 4.340 0.001 0.000 0.271 898 L C 0.362 177.304 176.870 0.120 0.000 1.057 898 L CA -0.795 54.084 54.840 0.066 0.000 0.803 898 L CB 1.028 43.103 42.059 0.026 0.000 1.207 898 L HN 0.007 nan 8.230 nan 0.000 0.445 899 E N 1.954 122.214 120.200 0.100 0.000 2.277 899 E HA 0.215 4.566 4.350 0.001 0.000 0.274 899 E C -1.711 174.915 176.600 0.045 0.000 1.022 899 E CA -1.792 54.665 56.400 0.094 0.000 0.853 899 E CB 1.263 31.009 29.700 0.077 0.000 1.086 899 E HN 0.281 nan 8.360 nan 0.000 0.397 900 P HA -0.204 nan 4.420 nan 0.000 0.229 900 P C -1.963 175.380 177.300 0.071 0.000 1.147 900 P CA 1.747 64.724 63.100 -0.205 0.000 0.949 900 P CB -1.156 30.329 31.700 -0.358 0.000 0.786 901 P HA 0.092 nan 4.420 nan 0.000 0.263 901 P C -0.510 177.059 177.300 0.447 0.000 1.276 901 P CA 0.900 64.153 63.100 0.255 0.000 0.986 901 P CB -0.733 31.057 31.700 0.149 0.000 1.105 902 L N 1.125 122.707 121.223 0.599 0.000 2.653 902 L HA 0.600 4.940 4.340 0.001 0.000 0.257 902 L C -1.455 175.436 176.870 0.035 0.000 0.969 902 L CA -0.850 54.165 54.840 0.291 0.000 0.869 902 L CB 1.290 43.351 42.059 0.003 0.000 1.439 902 L HN -0.053 nan 8.230 nan 0.000 0.414 903 I N 2.863 123.282 120.570 -0.253 0.000 2.330 903 I HA 0.543 4.713 4.170 0.001 0.000 0.289 903 I C -2.140 173.758 176.117 -0.365 0.000 1.001 903 I CA -1.710 59.251 61.300 -0.566 0.000 1.193 903 I CB 1.679 39.211 38.000 -0.780 0.000 1.345 903 I HN 0.510 nan 8.210 nan 0.000 0.461 904 P HA 0.021 nan 4.420 nan 0.000 0.276 904 P C -0.354 176.915 177.300 -0.053 0.000 1.261 904 P CA -0.356 62.676 63.100 -0.114 0.000 0.800 904 P CB 0.704 32.438 31.700 0.058 0.000 1.066 905 F N 2.214 122.007 119.950 -0.262 0.000 2.662 905 F HA -0.000 4.527 4.527 0.001 0.000 0.343 905 F C 1.614 177.083 175.800 -0.552 0.000 1.302 905 F CA -0.752 56.879 58.000 -0.616 0.000 1.142 905 F CB 0.102 38.233 39.000 -1.448 0.000 1.524 905 F HN 0.051 nan 8.300 nan 0.000 0.668 906 M N 4.258 123.631 119.600 -0.378 0.000 2.106 906 M HA -0.151 4.329 4.480 0.001 0.000 0.259 906 M C -0.609 175.311 176.300 -0.633 0.000 1.068 906 M CA 1.786 56.825 55.300 -0.436 0.000 1.100 906 M CB -2.205 30.165 32.600 -0.384 0.000 1.351 906 M HN 0.294 nan 8.290 nan 0.000 0.404 907 P HA -0.161 nan 4.420 nan 0.000 0.217 907 P C 1.729 178.475 177.300 -0.924 0.000 1.148 907 P CA 1.037 63.588 63.100 -0.915 0.000 0.828 907 P CB -0.206 30.802 31.700 -1.154 0.000 0.783 908 L N -1.636 118.777 121.223 -1.350 0.000 2.072 908 L HA -0.083 4.258 4.340 0.001 0.000 0.205 908 L C 2.030 178.589 176.870 -0.519 0.000 1.079 908 L CA 1.665 55.894 54.840 -1.018 0.000 0.752 908 L CB -1.282 39.995 42.059 -1.304 0.000 0.906 908 L HN -0.157 nan 8.230 nan 0.000 0.436 909 L N -0.605 120.364 121.223 -0.423 0.000 2.083 909 L HA -0.204 4.137 4.340 0.001 0.000 0.209 909 L C 2.365 179.134 176.870 -0.170 0.000 1.083 909 L CA 1.384 56.104 54.840 -0.200 0.000 0.752 909 L CB -0.853 41.144 42.059 -0.104 0.000 0.899 909 L HN 0.206 nan 8.230 nan 0.000 0.433 910 I N -0.452 119.983 120.570 -0.225 0.000 2.179 910 I HA -0.276 3.895 4.170 0.001 0.000 0.242 910 I C 2.467 178.520 176.117 -0.106 0.000 1.088 910 I CA 1.269 62.478 61.300 -0.150 0.000 1.357 910 I CB -1.154 36.736 38.000 -0.183 0.000 1.051 910 I HN 0.369 nan 8.210 nan 0.000 0.409 911 K N 0.918 121.216 120.400 -0.171 0.000 2.097 911 K HA -0.203 4.118 4.320 0.001 0.000 0.205 911 K C 1.553 178.132 176.600 -0.035 0.000 1.050 911 K CA 1.435 57.656 56.287 -0.111 0.000 0.938 911 K CB -0.063 32.321 32.500 -0.193 0.000 0.718 911 K HN 0.212 nan 8.250 nan 0.000 0.442 912 D N 0.737 121.095 120.400 -0.069 0.000 2.092 912 D HA -0.182 4.459 4.640 0.001 0.000 0.193 912 D C 1.990 178.327 176.300 0.062 0.000 0.994 912 D CA 1.476 55.478 54.000 0.003 0.000 0.828 912 D CB -0.130 40.655 40.800 -0.025 0.000 0.963 912 D HN 0.271 nan 8.370 nan 0.000 0.450 913 M N -0.130 119.473 119.600 0.006 0.000 2.200 913 M HA -0.095 4.386 4.480 0.001 0.000 0.265 913 M C 2.168 178.457 176.300 -0.018 0.000 1.066 913 M CA 1.073 56.364 55.300 -0.014 0.000 1.127 913 M CB -0.197 32.375 32.600 -0.046 0.000 1.379 913 M HN -0.065 nan 8.290 nan 0.000 0.420 914 T N 0.458 115.019 114.554 0.010 0.000 2.777 914 T HA -0.146 4.205 4.350 0.001 0.000 0.266 914 T C 1.402 176.143 174.700 0.069 0.000 1.040 914 T CA 1.225 63.341 62.100 0.027 0.000 1.141 914 T CB -0.369 68.519 68.868 0.033 0.000 0.868 914 T HN 0.318 nan 8.240 nan 0.000 0.444 915 F N 2.119 122.048 119.950 -0.035 0.000 2.134 915 F HA -0.136 4.391 4.527 0.001 0.000 0.299 915 F C 2.377 178.161 175.800 -0.026 0.000 1.097 915 F CA 1.296 59.279 58.000 -0.028 0.000 1.264 915 F CB -0.703 38.284 39.000 -0.022 0.000 1.001 915 F HN 0.062 nan 8.300 nan 0.000 0.479 916 T N -1.041 113.509 114.554 -0.006 0.000 2.821 916 T HA -0.225 4.126 4.350 0.001 0.000 0.267 916 T C 1.981 176.609 174.700 -0.119 0.000 1.046 916 T CA 1.596 63.645 62.100 -0.085 0.000 1.139 916 T CB -0.701 68.181 68.868 0.023 0.000 0.871 916 T HN 0.534 nan 8.240 nan 0.000 0.454 917 H N 1.124 120.062 119.070 -0.220 0.000 2.357 917 H HA -0.005 4.552 4.556 0.001 0.000 0.301 917 H C 1.917 177.119 175.328 -0.209 0.000 1.082 917 H CA 1.372 57.259 56.048 -0.268 0.000 1.342 917 H CB 0.201 29.705 29.762 -0.430 0.000 1.389 917 H HN 0.443 nan 8.280 nan 0.000 0.511 918 E N -0.592 119.409 120.200 -0.333 0.000 2.299 918 E HA -0.004 4.347 4.350 0.001 0.000 0.193 918 E C 2.030 178.432 176.600 -0.330 0.000 0.998 918 E CA 0.441 56.628 56.400 -0.356 0.000 0.851 918 E CB 0.237 29.797 29.700 -0.232 0.000 0.795 918 E HN 0.491 nan 8.360 nan 0.000 0.492 919 G N 0.407 108.957 108.800 -0.416 0.000 3.042 919 G HA2 -0.003 3.958 3.960 0.001 0.000 0.212 919 G HA3 -0.003 3.958 3.960 0.001 0.000 0.212 919 G C 0.292 175.049 174.900 -0.239 0.000 1.166 919 G CA -0.118 44.738 45.100 -0.406 0.000 0.767 919 G HN 0.001 nan 8.290 nan 0.000 0.546 920 N N 0.470 119.053 118.700 -0.194 0.000 2.324 920 N HA 0.227 4.968 4.740 0.001 0.000 0.285 920 N C -1.054 174.408 175.510 -0.081 0.000 1.076 920 N CA -0.630 52.355 53.050 -0.108 0.000 0.864 920 N CB 2.003 40.444 38.487 -0.077 0.000 1.632 920 N HN -0.101 nan 8.380 nan 0.000 0.478 921 K N 1.137 121.514 120.400 -0.037 0.000 2.322 921 K HA 0.205 4.525 4.320 0.001 0.000 0.283 921 K C 0.867 177.480 176.600 0.021 0.000 1.042 921 K CA -0.094 56.196 56.287 0.005 0.000 0.958 921 K CB 0.785 33.306 32.500 0.035 0.000 0.984 921 K HN 0.507 nan 8.250 nan 0.000 0.473 922 T N 1.836 116.421 114.554 0.051 0.000 2.821 922 T HA -0.030 4.320 4.350 0.001 0.000 0.267 922 T C 0.312 174.815 174.700 -0.328 0.000 1.046 922 T CA 1.204 63.258 62.100 -0.076 0.000 1.139 922 T CB -0.074 68.793 68.868 -0.002 0.000 0.871 922 T HN 0.371 nan 8.240 nan 0.000 0.454 923 F N 1.465 121.466 119.950 0.084 0.000 2.427 923 F HA 0.455 4.983 4.527 0.001 0.000 0.348 923 F C 0.153 175.976 175.800 0.039 0.000 1.125 923 F CA -1.625 56.413 58.000 0.063 0.000 0.989 923 F CB 0.840 39.880 39.000 0.067 0.000 1.165 923 F HN -0.002 nan 8.300 nan 0.000 0.442 924 I N 0.559 121.230 120.570 0.169 0.000 2.257 924 I HA 0.369 4.540 4.170 0.001 0.000 0.290 924 I C -0.528 175.651 176.117 0.103 0.000 1.137 924 I CA -0.616 60.746 61.300 0.105 0.000 1.255 924 I CB 0.019 38.052 38.000 0.055 0.000 1.485 924 I HN 0.496 nan 8.210 nan 0.000 0.534 925 D N 4.428 124.891 120.400 0.105 0.000 3.082 925 D HA -0.268 4.373 4.640 0.001 0.000 0.234 925 D C 0.575 176.926 176.300 0.085 0.000 1.159 925 D CA 1.149 55.194 54.000 0.075 0.000 0.875 925 D CB -0.665 40.162 40.800 0.045 0.000 0.946 925 D HN 1.007 nan 8.370 nan 0.000 0.411 926 N N -1.111 117.657 118.700 0.113 0.000 2.909 926 N HA -0.219 4.522 4.740 0.001 0.000 0.242 926 N C -0.738 174.876 175.510 0.174 0.000 0.975 926 N CA 1.130 54.243 53.050 0.106 0.000 0.921 926 N CB -0.684 37.832 38.487 0.048 0.000 1.112 926 N HN 0.565 nan 8.380 nan 0.000 0.581 927 L N 0.225 121.567 121.223 0.199 0.000 2.362 927 L HA 0.557 4.898 4.340 0.001 0.000 0.271 927 L C 0.256 177.228 176.870 0.170 0.000 1.002 927 L CA -1.254 53.687 54.840 0.167 0.000 0.818 927 L CB 1.952 44.057 42.059 0.078 0.000 1.298 927 L HN -0.238 nan 8.230 nan 0.000 0.420 928 V N 2.057 122.022 119.914 0.085 0.000 2.585 928 V HA -0.027 4.094 4.120 0.001 0.000 0.296 928 V C 0.571 176.602 176.094 -0.104 0.000 1.035 928 V CA -0.221 61.999 62.300 -0.134 0.000 1.084 928 V CB 0.748 32.421 31.823 -0.251 0.000 0.953 928 V HN 0.643 nan 8.190 nan 0.000 0.483 929 N N 3.652 122.269 118.700 -0.139 0.000 2.605 929 N HA 0.077 4.818 4.740 0.001 0.000 0.258 929 N C 0.391 175.868 175.510 -0.055 0.000 1.156 929 N CA -0.069 52.944 53.050 -0.061 0.000 1.008 929 N CB -0.062 38.393 38.487 -0.053 0.000 1.354 929 N HN 0.643 nan 8.380 nan 0.000 0.509 930 F N 2.040 121.896 119.950 -0.156 0.000 2.456 930 F HA 0.044 4.572 4.527 0.001 0.000 0.298 930 F C 2.045 177.821 175.800 -0.040 0.000 1.104 930 F CA 0.813 58.732 58.000 -0.134 0.000 1.435 930 F CB 0.299 39.232 39.000 -0.111 0.000 1.078 930 F HN 0.553 nan 8.300 nan 0.000 0.546 931 E N 0.452 120.679 120.200 0.045 0.000 2.110 931 E HA -0.288 4.063 4.350 0.001 0.000 0.193 931 E C 2.280 178.843 176.600 -0.062 0.000 0.988 931 E CA 1.225 57.626 56.400 0.003 0.000 0.804 931 E CB -0.141 29.576 29.700 0.028 0.000 0.745 931 E HN 0.397 nan 8.360 nan 0.000 0.458 932 K N -0.155 120.205 120.400 -0.066 0.000 2.057 932 K HA -0.147 4.173 4.320 0.001 0.000 0.207 932 K C 2.119 178.667 176.600 -0.086 0.000 1.049 932 K CA 1.341 57.598 56.287 -0.050 0.000 0.931 932 K CB 0.031 32.522 32.500 -0.015 0.000 0.714 932 K HN 0.135 nan 8.250 nan 0.000 0.440 933 M N 0.669 120.136 119.600 -0.223 0.000 2.159 933 M HA -0.122 4.359 4.480 0.001 0.000 0.263 933 M C 2.012 178.115 176.300 -0.327 0.000 1.063 933 M CA 1.536 56.646 55.300 -0.316 0.000 1.110 933 M CB -0.902 31.310 32.600 -0.648 0.000 1.374 933 M HN 0.166 nan 8.290 nan 0.000 0.411 934 R N -0.319 119.955 120.500 -0.377 0.000 2.092 934 R HA -0.031 4.309 4.340 0.001 0.000 0.231 934 R C 2.207 178.447 176.300 -0.099 0.000 1.119 934 R CA 1.239 57.211 56.100 -0.213 0.000 0.970 934 R CB -0.297 29.934 30.300 -0.114 0.000 0.864 934 R HN 0.363 nan 8.270 nan 0.000 0.440 935 M N 0.138 119.695 119.600 -0.071 0.000 2.132 935 M HA -0.120 4.360 4.480 0.001 0.000 0.263 935 M C 2.043 178.330 176.300 -0.021 0.000 1.065 935 M CA 1.348 56.632 55.300 -0.026 0.000 1.122 935 M CB -0.058 32.539 32.600 -0.005 0.000 1.365 935 M HN 0.063 nan 8.290 nan 0.000 0.411 936 I N 0.169 120.726 120.570 -0.021 0.000 2.252 936 I HA -0.169 4.002 4.170 0.001 0.000 0.245 936 I C 2.606 178.702 176.117 -0.036 0.000 1.102 936 I CA 1.435 62.730 61.300 -0.008 0.000 1.385 936 I CB -1.603 36.431 38.000 0.058 0.000 1.064 936 I HN 0.214 nan 8.210 nan 0.000 0.414 937 A N 0.853 123.635 122.820 -0.063 0.000 2.067 937 A HA -0.221 4.100 4.320 0.001 0.000 0.219 937 A C 2.112 179.654 177.584 -0.070 0.000 1.158 937 A CA 1.859 53.847 52.037 -0.082 0.000 0.661 937 A CB -1.072 17.866 19.000 -0.103 0.000 0.801 937 A HN 0.483 nan 8.150 nan 0.000 0.452 938 N N -0.849 117.818 118.700 -0.054 0.000 2.188 938 N HA -0.104 4.637 4.740 0.001 0.000 0.184 938 N C 1.566 177.044 175.510 -0.052 0.000 1.018 938 N CA 1.847 54.868 53.050 -0.048 0.000 0.858 938 N CB -0.030 38.440 38.487 -0.030 0.000 0.989 938 N HN 0.437 nan 8.380 nan 0.000 0.426 939 T N -0.613 113.916 114.554 -0.041 0.000 2.896 939 T HA 0.062 4.412 4.350 0.001 0.000 0.263 939 T C 1.880 176.550 174.700 -0.050 0.000 1.050 939 T CA 0.910 62.990 62.100 -0.035 0.000 1.140 939 T CB -0.267 68.589 68.868 -0.019 0.000 0.877 939 T HN 0.303 nan 8.240 nan 0.000 0.457 940 A N 1.771 124.552 122.820 -0.065 0.000 1.898 940 A HA -0.033 4.288 4.320 0.001 0.000 0.216 940 A C 2.320 179.844 177.584 -0.099 0.000 1.181 940 A CA 1.230 53.216 52.037 -0.085 0.000 0.620 940 A CB -0.514 18.418 19.000 -0.113 0.000 0.819 940 A HN 0.321 nan 8.150 nan 0.000 0.442 941 R N -0.987 119.455 120.500 -0.098 0.000 2.189 941 R HA -0.076 4.265 4.340 0.001 0.000 0.223 941 R C 1.900 178.131 176.300 -0.115 0.000 1.092 941 R CA 1.507 57.549 56.100 -0.097 0.000 0.989 941 R CB -0.319 29.931 30.300 -0.083 0.000 0.876 941 R HN 0.520 nan 8.270 nan 0.000 0.457 942 T N -0.007 114.455 114.554 -0.153 0.000 2.867 942 T HA -0.070 4.281 4.350 0.001 0.000 0.268 942 T C 1.722 176.145 174.700 -0.462 0.000 1.057 942 T CA 1.086 63.005 62.100 -0.301 0.000 1.136 942 T CB 0.052 68.773 68.868 -0.244 0.000 0.874 942 T HN 0.013 nan 8.240 nan 0.000 0.466 943 V N 1.354 121.167 119.914 -0.168 0.000 2.295 943 V HA -0.154 3.967 4.120 0.001 0.000 0.246 943 V C 2.555 178.634 176.094 -0.025 0.000 1.049 943 V CA 1.749 64.065 62.300 0.026 0.000 1.024 943 V CB -0.560 31.313 31.823 0.084 0.000 0.648 943 V HN 0.341 nan 8.190 nan 0.000 0.447 944 R N -0.921 119.532 120.500 -0.079 0.000 2.091 944 R HA -0.246 4.095 4.340 0.001 0.000 0.238 944 R C 2.360 178.665 176.300 0.007 0.000 1.136 944 R CA 2.091 58.151 56.100 -0.067 0.000 0.959 944 R CB -0.492 29.762 30.300 -0.077 0.000 0.856 944 R HN 0.603 nan 8.270 nan 0.000 0.437 945 Y N 0.032 120.252 120.300 -0.132 0.000 2.224 945 Y HA -0.218 4.333 4.550 0.001 0.000 0.289 945 Y C 1.300 177.253 175.900 0.090 0.000 1.146 945 Y CA 1.557 59.610 58.100 -0.079 0.000 1.182 945 Y CB -0.318 38.040 38.460 -0.170 0.000 0.983 945 Y HN 0.166 nan 8.280 nan 0.000 0.524 946 Y N -0.534 119.802 120.300 0.059 0.000 2.439 946 Y HA -0.066 4.484 4.550 0.001 0.000 0.292 946 Y C 1.986 178.010 175.900 0.206 0.000 1.130 946 Y CA 0.470 58.634 58.100 0.106 0.000 1.254 946 Y CB 0.038 38.677 38.460 0.297 0.000 1.000 946 Y HN -0.021 nan 8.280 nan 0.000 0.554 947 R N -0.317 120.313 120.500 0.217 0.000 2.362 947 R HA 0.025 4.366 4.340 0.001 0.000 0.227 947 R C 1.930 178.224 176.300 -0.011 0.000 0.905 947 R CA 0.682 56.856 56.100 0.123 0.000 1.067 947 R CB 0.077 30.321 30.300 -0.093 0.000 1.078 947 R HN 0.184 nan 8.270 nan 0.000 0.516 948 S N 0.147 115.830 115.700 -0.029 0.000 2.555 948 S HA -0.015 4.456 4.470 0.001 0.000 0.230 948 S C 0.598 175.159 174.600 -0.065 0.000 0.978 948 S CA 0.395 58.565 58.200 -0.050 0.000 0.934 948 S CB 0.151 63.334 63.200 -0.029 0.000 0.766 948 S HN 0.084 nan 8.310 nan 0.000 0.533 949 Q N 1.549 121.299 119.800 -0.083 0.000 2.397 949 Q HA 0.540 4.881 4.340 0.001 0.000 0.275 949 Q C -2.986 172.908 176.000 -0.177 0.000 1.090 949 Q CA -2.201 53.542 55.803 -0.100 0.000 0.809 949 Q CB 1.783 30.475 28.738 -0.076 0.000 1.362 949 Q HN 0.201 nan 8.270 nan 0.000 0.431 950 P HA 0.220 nan 4.420 nan 0.000 0.277 950 P C -0.737 176.399 177.300 -0.273 0.000 1.240 950 P CA -0.456 62.498 63.100 -0.244 0.000 0.798 950 P CB 0.551 32.157 31.700 -0.157 0.000 0.979 951 F N 2.655 122.254 119.950 -0.585 0.000 2.438 951 F HA 0.203 4.731 4.527 0.002 0.000 0.360 951 F C 0.391 176.045 175.800 -0.243 0.000 1.118 951 F CA -0.424 57.253 58.000 -0.538 0.000 1.164 951 F CB -0.189 38.262 39.000 -0.915 0.000 1.131 951 F HN 0.156 nan 8.300 nan 0.000 0.527 952 N N 8.061 126.381 118.700 -0.633 0.000 2.422 952 N HA 0.190 4.931 4.740 0.001 0.000 0.264 952 N C -1.738 173.384 175.510 -0.647 0.000 1.063 952 N CA -1.262 51.499 53.050 -0.482 0.000 0.959 952 N CB 1.683 40.018 38.487 -0.254 0.000 1.087 952 N HN 0.386 nan 8.380 nan 0.000 0.483 953 P HA -0.029 nan 4.420 nan 0.000 0.230 953 P C -0.256 177.033 177.300 -0.019 0.000 1.158 953 P CA 0.504 63.574 63.100 -0.051 0.000 0.769 953 P CB 0.264 32.029 31.700 0.109 0.000 0.807 954 D N -1.526 118.827 120.400 -0.078 0.000 2.723 954 D HA -0.218 4.423 4.640 0.001 0.000 0.236 954 D C 0.569 176.861 176.300 -0.014 0.000 1.138 954 D CA 0.931 54.912 54.000 -0.032 0.000 0.676 954 D CB -1.285 39.519 40.800 0.006 0.000 1.069 954 D HN 0.313 nan 8.370 nan 0.000 0.430 955 A N -0.423 122.385 122.820 -0.021 0.000 6.069 955 A HA 0.059 4.380 4.320 0.001 0.000 0.278 955 A C 1.248 178.817 177.584 -0.026 0.000 2.017 955 A CA 2.135 54.162 52.037 -0.017 0.000 0.717 955 A CB -1.702 17.290 19.000 -0.013 0.000 1.159 955 A HN 1.940 nan 8.150 nan 0.000 0.378 956 A N -1.658 121.149 122.820 -0.022 0.000 1.837 956 A HA 0.042 4.363 4.320 0.001 0.000 0.245 956 A C 0.642 178.193 177.584 -0.055 0.000 1.223 956 A CA 3.107 55.129 52.037 -0.025 0.000 0.759 956 A CB -1.267 17.725 19.000 -0.012 0.000 1.147 956 A HN 2.363 nan 8.150 nan 0.000 0.305 957 Q N -0.264 119.482 119.800 -0.089 0.000 1.562 957 Q HA 0.548 4.889 4.340 0.001 0.000 0.145 957 Q C 0.577 176.508 176.000 -0.115 0.000 0.425 957 Q CA 0.702 56.387 55.803 -0.195 0.000 0.737 957 Q CB 0.067 28.516 28.738 -0.482 0.000 0.767 957 Q HN 1.451 nan 8.270 nan 0.000 0.174 958 A N 1.910 124.633 122.820 -0.161 0.000 2.805 958 A HA 0.410 4.731 4.320 0.001 0.000 0.301 958 A C -0.731 176.890 177.584 0.062 0.000 1.557 958 A CA -0.124 51.940 52.037 0.045 0.000 1.254 958 A CB -0.877 18.240 19.000 0.195 0.000 1.114 958 A HN 0.390 nan 8.150 nan 0.000 0.553 959 N N 1.873 120.600 118.700 0.044 0.000 2.671 959 N HA 0.309 5.050 4.740 0.001 0.000 0.303 959 N C 0.428 175.942 175.510 0.006 0.000 1.351 959 N CA 0.712 53.773 53.050 0.017 0.000 0.991 959 N CB 0.611 39.096 38.487 -0.003 0.000 1.307 959 N HN 0.807 nan 8.380 nan 0.000 0.512 960 K N 0.540 120.957 120.400 0.028 0.000 3.244 960 K HA -0.257 4.064 4.320 0.001 0.000 0.270 960 K C 0.489 177.080 176.600 -0.015 0.000 1.016 960 K CA 1.682 57.980 56.287 0.019 0.000 0.754 960 K CB -2.876 29.633 32.500 0.014 0.000 1.326 960 K HN 0.833 nan 8.250 nan 0.000 0.465 961 N N -3.413 115.262 118.700 -0.041 0.000 1.921 961 N HA 0.054 4.795 4.740 0.001 0.000 0.237 961 N C 0.507 175.933 175.510 -0.141 0.000 1.352 961 N CA 0.117 53.096 53.050 -0.119 0.000 0.805 961 N CB 0.361 38.726 38.487 -0.203 0.000 1.159 961 N HN 0.459 nan 8.380 nan 0.000 0.473 962 H N 1.383 120.472 119.070 0.032 0.000 2.813 962 H HA 0.273 4.829 4.556 0.001 0.000 0.312 962 H C 0.585 175.947 175.328 0.057 0.000 1.228 962 H CA 0.053 56.128 56.048 0.045 0.000 1.154 962 H CB 0.448 30.243 29.762 0.055 0.000 1.418 962 H HN 0.292 nan 8.280 nan 0.000 0.525 963 Q N 0.563 120.436 119.800 0.121 0.000 2.224 963 Q HA -0.106 4.234 4.340 0.001 0.000 0.203 963 Q C 1.598 177.653 176.000 0.092 0.000 0.970 963 Q CA 0.961 56.818 55.803 0.091 0.000 0.865 963 Q CB 0.197 28.967 28.738 0.053 0.000 0.922 963 Q HN 0.733 nan 8.270 nan 0.000 0.445 964 D N -0.435 120.027 120.400 0.104 0.000 2.117 964 D HA -0.106 4.535 4.640 0.001 0.000 0.198 964 D C 1.883 178.265 176.300 0.136 0.000 0.982 964 D CA 0.895 54.959 54.000 0.106 0.000 0.828 964 D CB -0.519 40.336 40.800 0.092 0.000 0.967 964 D HN 0.073 nan 8.370 nan 0.000 0.464 965 V N 1.004 121.010 119.914 0.154 0.000 2.358 965 V HA -0.173 3.948 4.120 0.001 0.000 0.246 965 V C 2.876 179.050 176.094 0.134 0.000 1.047 965 V CA 1.607 63.997 62.300 0.150 0.000 1.035 965 V CB -0.782 31.111 31.823 0.117 0.000 0.658 965 V HN 0.178 nan 8.190 nan 0.000 0.452 966 R N 0.091 120.656 120.500 0.108 0.000 2.083 966 R HA -0.199 4.141 4.340 0.001 0.000 0.237 966 R C 2.604 178.895 176.300 -0.014 0.000 1.137 966 R CA 2.004 58.132 56.100 0.046 0.000 0.951 966 R CB -0.480 29.857 30.300 0.061 0.000 0.851 966 R HN 0.466 nan 8.270 nan 0.000 0.434 967 S N -0.566 115.150 115.700 0.026 0.000 2.382 967 S HA -0.190 4.280 4.470 0.001 0.000 0.228 967 S C 1.694 176.286 174.600 -0.014 0.000 1.027 967 S CA 1.201 59.399 58.200 -0.004 0.000 0.991 967 S CB -0.383 62.838 63.200 0.035 0.000 0.823 967 S HN 0.550 nan 8.310 nan 0.000 0.469 968 Y N 1.716 121.985 120.300 -0.051 0.000 2.133 968 Y HA -0.072 4.479 4.550 0.001 0.000 0.287 968 Y C 2.277 178.074 175.900 -0.173 0.000 1.134 968 Y CA 1.727 59.789 58.100 -0.063 0.000 1.133 968 Y CB -0.772 37.700 38.460 0.019 0.000 0.987 968 Y HN 0.062 nan 8.280 nan 0.000 0.502 969 V N 1.358 121.217 119.914 -0.092 0.000 2.278 969 V HA -0.380 3.741 4.120 0.001 0.000 0.251 969 V C 2.277 178.109 176.094 -0.437 0.000 1.062 969 V CA 2.563 64.702 62.300 -0.267 0.000 1.038 969 V CB -0.541 31.216 31.823 -0.110 0.000 0.646 969 V HN 0.422 nan 8.190 nan 0.000 0.447 970 R N -0.643 119.577 120.500 -0.467 0.000 2.275 970 R HA 0.051 4.392 4.340 0.001 0.000 0.199 970 R C 0.731 176.782 176.300 -0.415 0.000 0.989 970 R CA 0.382 56.081 56.100 -0.669 0.000 1.016 970 R CB 0.004 29.866 30.300 -0.729 0.000 0.918 970 R HN 0.569 nan 8.270 nan 0.000 0.473 971 Q N 1.234 120.812 119.800 -0.371 0.000 2.849 971 Q HA 0.303 4.644 4.340 0.001 0.000 0.289 971 Q C -1.138 174.630 176.000 -0.386 0.000 1.012 971 Q CA -0.208 55.422 55.803 -0.289 0.000 0.899 971 Q CB 1.228 29.846 28.738 -0.200 0.000 1.235 971 Q HN 0.116 nan 8.270 nan 0.000 0.457 972 L N 1.577 122.569 121.223 -0.386 0.000 2.281 972 L HA 0.358 4.699 4.340 0.001 0.000 0.285 972 L C 0.012 176.768 176.870 -0.191 0.000 1.074 972 L CA -0.461 54.127 54.840 -0.419 0.000 0.817 972 L CB 0.481 42.249 42.059 -0.484 0.000 1.168 972 L HN 0.346 nan 8.230 nan 0.000 0.434 973 N N 3.240 121.866 118.700 -0.123 0.000 2.408 973 N HA 0.520 5.261 4.740 0.001 0.000 0.280 973 N C -0.979 174.557 175.510 0.043 0.000 1.002 973 N CA -0.166 52.869 53.050 -0.025 0.000 0.907 973 N CB 2.999 41.482 38.487 -0.007 0.000 1.161 973 N HN 0.242 nan 8.380 nan 0.000 0.488 974 V N 2.653 122.594 119.914 0.044 0.000 3.159 974 V HA 0.529 4.650 4.120 0.001 0.000 0.308 974 V C -1.032 175.069 176.094 0.013 0.000 1.190 974 V CA -0.805 61.543 62.300 0.081 0.000 1.037 974 V CB 2.684 34.587 31.823 0.133 0.000 1.060 974 V HN 0.461 nan 8.190 nan 0.000 0.437 975 I N 3.712 124.280 120.570 -0.003 0.000 2.312 975 I HA 0.387 4.558 4.170 0.001 0.000 0.290 975 I C -0.039 175.882 176.117 -0.327 0.000 1.008 975 I CA -0.289 60.950 61.300 -0.102 0.000 1.226 975 I CB 1.359 39.328 38.000 -0.052 0.000 1.371 975 I HN 0.765 nan 8.210 nan 0.000 0.468 976 D N 3.484 123.599 120.400 -0.475 0.000 2.368 976 D HA -0.008 4.633 4.640 0.001 0.000 0.218 976 D C 0.210 176.071 176.300 -0.732 0.000 1.112 976 D CA -0.085 53.297 54.000 -1.029 0.000 0.834 976 D CB 0.012 40.433 40.800 -0.631 0.000 0.953 976 D HN 0.233 nan 8.370 nan 0.000 0.505 977 N N 1.506 119.973 118.700 -0.388 0.000 2.485 977 N HA 0.025 4.766 4.740 0.001 0.000 0.243 977 N C 0.869 176.316 175.510 -0.105 0.000 0.987 977 N CA -0.159 52.775 53.050 -0.192 0.000 0.940 977 N CB 1.366 39.783 38.487 -0.116 0.000 1.122 977 N HN -0.054 nan 8.380 nan 0.000 0.509 978 Q N 2.882 122.662 119.800 -0.032 0.000 2.084 978 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 978 Q C 2.078 178.109 176.000 0.051 0.000 0.978 978 Q CA 1.789 57.630 55.803 0.064 0.000 0.844 978 Q CB -0.100 28.707 28.738 0.114 0.000 0.898 978 Q HN 0.740 nan 8.270 nan 0.000 0.426 979 R N 0.435 120.951 120.500 0.028 0.000 2.082 979 R HA -0.145 4.196 4.340 0.001 0.000 0.234 979 R C 2.308 178.627 176.300 0.032 0.000 1.136 979 R CA 2.200 58.318 56.100 0.030 0.000 0.935 979 R CB -2.015 28.291 30.300 0.011 0.000 0.842 979 R HN 0.463 nan 8.270 nan 0.000 0.430 980 T N 1.578 116.139 114.554 0.012 0.000 2.665 980 T HA -0.141 4.210 4.350 0.001 0.000 0.268 980 T C 2.130 176.848 174.700 0.030 0.000 1.035 980 T CA 1.678 63.785 62.100 0.012 0.000 1.151 980 T CB -0.328 68.534 68.868 -0.010 0.000 0.862 980 T HN 0.361 nan 8.240 nan 0.000 0.438 981 L N 0.493 121.737 121.223 0.034 0.000 2.156 981 L HA -0.017 4.324 4.340 0.001 0.000 0.208 981 L C 2.827 179.737 176.870 0.067 0.000 1.095 981 L CA 0.766 55.637 54.840 0.052 0.000 0.770 981 L CB -0.395 41.706 42.059 0.071 0.000 0.914 981 L HN 0.197 nan 8.230 nan 0.000 0.439 982 S N -0.802 114.951 115.700 0.087 0.000 2.395 982 S HA -0.149 4.322 4.470 0.001 0.000 0.225 982 S C 1.931 176.655 174.600 0.208 0.000 1.027 982 S CA 0.865 59.145 58.200 0.134 0.000 0.965 982 S CB -0.015 63.275 63.200 0.150 0.000 0.812 982 S HN 0.419 nan 8.310 nan 0.000 0.482 983 Q N 0.760 120.644 119.800 0.141 0.000 2.030 983 Q HA -0.090 4.251 4.340 0.001 0.000 0.204 983 Q C 2.218 178.288 176.000 0.118 0.000 0.986 983 Q CA 1.605 57.482 55.803 0.123 0.000 0.843 983 Q CB -0.309 28.465 28.738 0.060 0.000 0.904 983 Q HN 0.477 nan 8.270 nan 0.000 0.420 984 M N -0.067 119.578 119.600 0.075 0.000 2.149 984 M HA -0.207 4.274 4.480 0.001 0.000 0.261 984 M C 2.418 178.744 176.300 0.043 0.000 1.064 984 M CA 1.219 56.550 55.300 0.052 0.000 1.102 984 M CB -0.230 32.392 32.600 0.037 0.000 1.369 984 M HN 0.147 nan 8.290 nan 0.000 0.408 985 S N -0.705 115.015 115.700 0.032 0.000 2.383 985 S HA -0.165 4.306 4.470 0.001 0.000 0.227 985 S C 1.833 176.392 174.600 -0.068 0.000 1.026 985 S CA 1.071 59.252 58.200 -0.033 0.000 0.981 985 S CB -0.347 62.809 63.200 -0.074 0.000 0.818 985 S HN 0.496 nan 8.310 nan 0.000 0.472 986 H N 0.687 119.770 119.070 0.022 0.000 2.428 986 H HA 0.132 4.689 4.556 0.001 0.000 0.296 986 H C 2.309 177.645 175.328 0.014 0.000 1.062 986 H CA 1.129 57.188 56.048 0.019 0.000 1.350 986 H CB -0.025 29.748 29.762 0.018 0.000 1.403 986 H HN 0.410 nan 8.280 nan 0.000 0.533 987 R N 0.158 120.732 120.500 0.123 0.000 2.189 987 R HA 0.006 4.347 4.340 0.001 0.000 0.218 987 R C 2.329 178.653 176.300 0.039 0.000 1.074 987 R CA 0.362 56.503 56.100 0.069 0.000 0.991 987 R CB 0.134 30.466 30.300 0.053 0.000 0.883 987 R HN 0.225 nan 8.270 nan 0.000 0.457 988 L N 0.090 121.328 121.223 0.025 0.000 2.102 988 L HA -0.018 4.323 4.340 0.001 0.000 0.202 988 L C 0.375 177.246 176.870 0.001 0.000 1.076 988 L CA 1.138 55.980 54.840 0.004 0.000 0.761 988 L CB 0.076 42.128 42.059 -0.011 0.000 0.921 988 L HN 0.107 nan 8.230 nan 0.000 0.444 989 E N 0.062 120.261 120.200 -0.001 0.000 2.402 989 E HA 0.274 4.625 4.350 0.001 0.000 0.244 989 E C -2.367 174.248 176.600 0.026 0.000 0.945 989 E CA -2.018 54.384 56.400 0.003 0.000 0.774 989 E CB 1.555 31.248 29.700 -0.012 0.000 1.296 989 E HN -0.028 nan 8.360 nan 0.000 0.414 990 P HA -0.097 nan 4.420 nan 0.000 0.265 990 P C 0.263 177.626 177.300 0.106 0.000 1.187 990 P CA -0.047 63.110 63.100 0.094 0.000 0.766 990 P CB 0.534 32.270 31.700 0.060 0.000 0.820 991 R N 0.000 120.608 120.500 0.180 0.000 2.786 991 R HA 0.000 4.341 4.340 0.001 0.000 0.208 991 R CA 0.000 56.202 56.100 0.170 0.000 0.921 991 R CB 0.000 30.407 30.300 0.179 0.000 0.687 991 R HN 0.000 nan 8.270 nan 0.000 0.535