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 1wdl_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIYEGKAITV TALESGIVEL KFDLKGESVN KFNRLTLNEL RQAVDAIKAD DATA SEQUENCE ASVKGVIVSS GKDVFIVGAD ITEFVENFKL PDAELIAGNL EANKIFSDFE DATA SEQUENCE DLNVPTVAAI NGIALGGGLE MCLAADFRVM ADSAKIGLPE VKLGIYPGFG DATA SEQUENCE GTVRLPRLIG VDNAVEWIAS GKENRAEDAL KVSAVDAVVT ADKLGAAALD DATA SEQUENCE LIKRAISGEL DYKAKRQPKL EKLKLNAIEQ MMAFETAKGF VAGQAGPNYP DATA SEQUENCE APVEAIKTIQ KAANFGRDKA LEVEAAGFAK LAKTSASNCL IGLFLNDQEL DATA SEQUENCE KKKAKVYDKI AKDVKQAAVL GAGIMGGGIA YQSASKGTPI LMKDINEHGI DATA SEQUENCE EQGLAEAAKL LVGRVDKGRM TPAKMAEVLN GIRPTLSYGD FGNVDLVVEA DATA SEQUENCE VVENPKVKQA VLAEVENHVR EDAILASNTS TISISLLAKA LKRPENFVGM DATA SEQUENCE HFFNPVHMMP LVEVIRGEKS SDLAVATTVA YAKKMGKNPI VVNDCPGFLV DATA SEQUENCE NRVLFPYFGG FAKLVSAGVD FVRIDKVMEK FGWPMGPAYL MDVVGIDTGH DATA SEQUENCE HGRDVMAEGF PDRMKDDRRS AIDALYEAKR LGQKNGKGFY AYXXXXXXXX DATA SEQUENCE XKLVDSSVLE VLKPIVYEQR DVTDEDIINW MMIPLCLETV RCLEDGIVET DATA SEQUENCE AAEADMGLVY GIGFPLFRGG ALRYIDSIGV AEFVALADQY AELGALYHPT DATA SEQUENCE AKLREMAKNG QSFFG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.586 32.600 -0.024 0.000 1.302 2 I N -0.482 120.103 120.570 0.026 0.000 2.315 2 I HA -0.001 4.169 4.170 -0.001 0.000 0.248 2 I C 0.050 176.247 176.117 0.133 0.000 1.117 2 I CA 1.679 63.013 61.300 0.058 0.000 1.404 2 I CB -0.080 37.950 38.000 0.050 0.000 1.071 2 I HN 0.578 nan 8.210 nan 0.000 0.419 3 Y N 0.472 120.747 120.300 -0.041 0.000 2.390 3 Y HA 0.339 4.888 4.550 -0.001 0.000 0.324 3 Y C -0.964 174.902 175.900 -0.056 0.000 1.151 3 Y CA -1.268 56.803 58.100 -0.048 0.000 1.053 3 Y CB 1.195 39.621 38.460 -0.057 0.000 1.277 3 Y HN -0.042 nan 8.280 nan 0.000 0.432 4 E N 4.762 124.555 120.200 -0.677 0.000 2.593 4 E HA 0.486 4.835 4.350 -0.001 0.000 0.232 4 E C -0.304 175.898 176.600 -0.663 0.000 1.026 4 E CA -0.383 55.712 56.400 -0.508 0.000 0.772 4 E CB 0.416 29.958 29.700 -0.263 0.000 1.310 4 E HN 0.911 nan 8.360 nan 0.000 0.413 5 G N 1.707 110.058 108.800 -0.748 0.000 2.531 5 G HA2 0.135 4.095 3.960 -0.001 0.000 0.281 5 G HA3 0.135 4.095 3.960 -0.001 0.000 0.281 5 G C 0.416 175.204 174.900 -0.186 0.000 1.382 5 G CA -0.396 44.446 45.100 -0.430 0.000 1.045 5 G HN 0.408 nan 8.290 nan 0.000 0.533 6 K N -0.654 119.691 120.400 -0.092 0.000 2.367 6 K HA 0.323 4.643 4.320 -0.001 0.000 0.194 6 K C 1.540 178.114 176.600 -0.042 0.000 1.027 6 K CA 0.625 56.874 56.287 -0.062 0.000 1.075 6 K CB 0.889 33.365 32.500 -0.041 0.000 0.845 6 K HN 0.323 nan 8.250 nan 0.000 0.529 7 A N 0.563 123.365 122.820 -0.030 0.000 2.048 7 A HA 0.333 4.652 4.320 -0.001 0.000 0.197 7 A C 0.482 178.040 177.584 -0.043 0.000 1.486 7 A CA -0.076 51.946 52.037 -0.025 0.000 1.029 7 A CB 0.712 19.701 19.000 -0.017 0.000 1.101 7 A HN 0.049 nan 8.150 nan 0.000 0.470 8 I N 1.581 122.131 120.570 -0.034 0.000 2.466 8 I HA 0.337 4.506 4.170 -0.001 0.000 0.289 8 I C -0.687 175.432 176.117 0.003 0.000 1.026 8 I CA -0.492 60.750 61.300 -0.096 0.000 1.078 8 I CB 2.379 40.278 38.000 -0.169 0.000 1.249 8 I HN 0.159 nan 8.210 nan 0.000 0.429 9 T N 2.635 117.152 114.554 -0.062 0.000 2.977 9 T HA 0.433 4.782 4.350 -0.001 0.000 0.346 9 T C -0.344 174.351 174.700 -0.008 0.000 1.140 9 T CA -0.662 61.413 62.100 -0.041 0.000 1.040 9 T CB 0.713 69.537 68.868 -0.074 0.000 1.046 9 T HN 0.170 nan 8.240 nan 0.000 0.494 10 V N 4.678 124.643 119.914 0.085 0.000 2.364 10 V HA 0.227 4.347 4.120 -0.001 0.000 0.252 10 V C 0.762 176.874 176.094 0.031 0.000 1.075 10 V CA -0.073 62.256 62.300 0.049 0.000 1.033 10 V CB -0.526 31.347 31.823 0.083 0.000 1.116 10 V HN 0.978 nan 8.190 nan 0.000 0.488 11 T N 4.490 119.047 114.554 0.005 0.000 2.875 11 T HA 0.668 5.018 4.350 -0.001 0.000 0.284 11 T C 0.450 175.152 174.700 0.003 0.000 0.995 11 T CA -0.173 61.928 62.100 0.001 0.000 1.060 11 T CB 1.730 70.594 68.868 -0.007 0.000 0.967 11 T HN 0.802 nan 8.240 nan 0.000 0.476 12 A N 2.753 125.573 122.820 0.001 0.000 2.304 12 A HA 0.803 5.123 4.320 -0.001 0.000 0.271 12 A C -0.259 177.323 177.584 -0.002 0.000 1.091 12 A CA -0.442 51.595 52.037 -0.001 0.000 0.812 12 A CB 0.198 19.197 19.000 -0.003 0.000 1.056 12 A HN 0.835 nan 8.150 nan 0.000 0.489 13 L N -0.977 120.243 121.223 -0.005 0.000 2.218 13 L HA 0.408 4.747 4.340 -0.001 0.000 0.243 13 L C 0.298 177.163 176.870 -0.009 0.000 1.132 13 L CA -0.995 53.842 54.840 -0.005 0.000 1.052 13 L CB 1.089 43.146 42.059 -0.003 0.000 1.599 13 L HN 0.965 nan 8.230 nan 0.000 0.468 14 E N -0.967 119.227 120.200 -0.010 0.000 2.371 14 E HA 0.180 4.530 4.350 -0.001 0.000 0.257 14 E C -0.215 176.375 176.600 -0.017 0.000 1.134 14 E CA -0.209 56.184 56.400 -0.012 0.000 0.919 14 E CB 0.759 30.452 29.700 -0.012 0.000 1.025 14 E HN 0.482 nan 8.360 nan 0.000 0.438 15 S N 0.841 116.530 115.700 -0.017 0.000 3.462 15 S HA -0.224 4.246 4.470 -0.001 0.000 0.370 15 S C 1.084 175.668 174.600 -0.025 0.000 1.028 15 S CA 0.870 59.057 58.200 -0.021 0.000 1.119 15 S CB -1.884 61.301 63.200 -0.026 0.000 0.906 15 S HN 1.272 nan 8.310 nan 0.000 0.471 16 G N -0.406 108.381 108.800 -0.022 0.000 2.189 16 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.267 16 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.267 16 G C 0.153 175.036 174.900 -0.029 0.000 0.975 16 G CA 0.379 45.465 45.100 -0.024 0.000 0.644 16 G HN 0.749 nan 8.290 nan 0.000 0.537 17 I N 0.594 121.146 120.570 -0.030 0.000 2.588 17 I HA 0.417 4.587 4.170 -0.001 0.000 0.283 17 I C 0.659 176.766 176.117 -0.018 0.000 1.119 17 I CA -0.260 61.021 61.300 -0.032 0.000 1.419 17 I CB 1.399 39.379 38.000 -0.033 0.000 1.394 17 I HN -0.007 nan 8.210 nan 0.000 0.562 18 V N 6.563 126.469 119.914 -0.013 0.000 2.715 18 V HA 0.368 4.487 4.120 -0.001 0.000 0.310 18 V C -0.450 175.654 176.094 0.017 0.000 1.054 18 V CA -0.408 61.892 62.300 -0.000 0.000 0.928 18 V CB 1.998 33.819 31.823 -0.002 0.000 1.007 18 V HN 0.866 nan 8.190 nan 0.000 0.437 19 E N 5.494 125.705 120.200 0.019 0.000 2.102 19 E HA 0.356 4.706 4.350 -0.001 0.000 0.263 19 E C -1.118 175.490 176.600 0.013 0.000 0.894 19 E CA -0.587 55.831 56.400 0.031 0.000 0.746 19 E CB 1.490 31.206 29.700 0.028 0.000 1.129 19 E HN 0.775 nan 8.360 nan 0.000 0.416 20 L N 5.340 126.574 121.223 0.018 0.000 2.325 20 L HA 0.335 4.675 4.340 -0.001 0.000 0.284 20 L C -0.535 176.245 176.870 -0.150 0.000 1.089 20 L CA -0.167 54.630 54.840 -0.072 0.000 0.836 20 L CB 0.256 42.285 42.059 -0.051 0.000 1.184 20 L HN 0.440 nan 8.230 nan 0.000 0.444 21 K N 4.659 124.946 120.400 -0.188 0.000 2.182 21 K HA 0.384 4.704 4.320 -0.001 0.000 0.262 21 K C -1.390 175.016 176.600 -0.323 0.000 0.957 21 K CA -0.623 55.563 56.287 -0.168 0.000 0.842 21 K CB 1.108 33.570 32.500 -0.063 0.000 1.099 21 K HN 0.392 nan 8.250 nan 0.000 0.438 22 F N 2.842 122.701 119.950 -0.151 0.000 2.361 22 F HA 0.210 4.737 4.527 -0.001 0.000 0.364 22 F C -0.094 175.598 175.800 -0.181 0.000 1.120 22 F CA -0.378 57.488 58.000 -0.222 0.000 1.102 22 F CB 1.143 39.907 39.000 -0.393 0.000 1.183 22 F HN 0.463 nan 8.300 nan 0.000 0.476 23 D N 4.507 124.913 120.400 0.010 0.000 2.381 23 D HA 0.092 4.732 4.640 -0.001 0.000 0.245 23 D C -1.218 175.069 176.300 -0.021 0.000 1.297 23 D CA -0.448 53.545 54.000 -0.012 0.000 0.931 23 D CB 0.761 41.547 40.800 -0.023 0.000 1.334 23 D HN 0.298 nan 8.370 nan 0.000 0.535 24 L N 3.610 124.819 121.223 -0.022 0.000 2.574 24 L HA 0.181 4.520 4.340 -0.001 0.000 0.281 24 L C 0.299 177.155 176.870 -0.023 0.000 1.212 24 L CA 0.138 54.962 54.840 -0.027 0.000 1.082 24 L CB -0.352 41.686 42.059 -0.035 0.000 1.362 24 L HN 0.145 nan 8.230 nan 0.000 0.451 25 K N 3.817 124.201 120.400 -0.026 0.000 2.491 25 K HA 0.177 4.496 4.320 -0.001 0.000 0.279 25 K C 1.167 177.756 176.600 -0.018 0.000 1.026 25 K CA 0.974 57.247 56.287 -0.024 0.000 1.070 25 K CB 0.168 32.650 32.500 -0.031 0.000 0.887 25 K HN 0.889 nan 8.250 nan 0.000 0.481 26 G N 3.230 112.021 108.800 -0.014 0.000 2.399 26 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.216 26 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.216 26 G C 0.096 174.992 174.900 -0.007 0.000 1.096 26 G CA -0.319 44.775 45.100 -0.010 0.000 0.650 26 G HN 0.558 nan 8.290 nan 0.000 0.512 27 E N 0.682 120.876 120.200 -0.008 0.000 2.280 27 E HA 0.528 4.877 4.350 -0.001 0.000 0.261 27 E C 1.541 178.137 176.600 -0.006 0.000 1.088 27 E CA 0.252 56.649 56.400 -0.006 0.000 0.915 27 E CB 1.344 31.040 29.700 -0.008 0.000 1.141 27 E HN 0.441 nan 8.360 nan 0.000 0.433 28 S N -0.861 114.837 115.700 -0.003 0.000 2.439 28 S HA 0.029 4.498 4.470 -0.001 0.000 0.224 28 S C 1.093 175.691 174.600 -0.004 0.000 1.029 28 S CA 0.180 58.380 58.200 -0.001 0.000 0.946 28 S CB -0.216 62.986 63.200 0.003 0.000 0.797 28 S HN 0.351 nan 8.310 nan 0.000 0.504 29 V N -1.009 118.900 119.914 -0.008 0.000 3.126 29 V HA 0.631 4.750 4.120 -0.001 0.000 0.314 29 V C -1.179 174.893 176.094 -0.037 0.000 1.138 29 V CA -1.393 60.898 62.300 -0.016 0.000 1.034 29 V CB 1.503 33.323 31.823 -0.005 0.000 1.075 29 V HN 0.151 nan 8.190 nan 0.000 0.442 30 N N 2.304 120.964 118.700 -0.067 0.000 2.421 30 N HA 0.567 5.307 4.740 -0.001 0.000 0.285 30 N C -1.005 174.425 175.510 -0.134 0.000 1.027 30 N CA -0.492 52.482 53.050 -0.127 0.000 0.918 30 N CB 1.855 40.219 38.487 -0.205 0.000 1.152 30 N HN 0.923 nan 8.380 nan 0.000 0.485 31 K N 0.057 120.367 120.400 -0.150 0.000 2.551 31 K HA 0.360 4.680 4.320 -0.001 0.000 0.269 31 K C -1.311 175.215 176.600 -0.123 0.000 0.949 31 K CA -0.700 55.546 56.287 -0.069 0.000 0.849 31 K CB 0.815 33.323 32.500 0.013 0.000 1.411 31 K HN 0.079 nan 8.250 nan 0.000 0.432 32 F N 3.003 122.936 119.950 -0.029 0.000 2.652 32 F HA 0.104 4.631 4.527 -0.001 0.000 0.352 32 F C 0.472 176.292 175.800 0.034 0.000 1.259 32 F CA -0.224 57.769 58.000 -0.011 0.000 1.249 32 F CB -0.618 38.358 39.000 -0.040 0.000 1.628 32 F HN 0.602 nan 8.300 nan 0.000 0.654 33 N N -0.300 118.470 118.700 0.117 0.000 2.418 33 N HA 0.240 4.980 4.740 -0.001 0.000 0.283 33 N C 1.316 176.926 175.510 0.166 0.000 1.267 33 N CA -0.763 52.370 53.050 0.138 0.000 0.975 33 N CB 0.494 39.029 38.487 0.081 0.000 1.167 33 N HN 0.129 nan 8.380 nan 0.000 0.581 34 R N -0.764 119.841 120.500 0.174 0.000 2.096 34 R HA -0.084 4.255 4.340 -0.001 0.000 0.240 34 R C 1.763 178.129 176.300 0.110 0.000 1.139 34 R CA 1.347 57.547 56.100 0.168 0.000 0.952 34 R CB -1.261 29.117 30.300 0.130 0.000 0.854 34 R HN 0.706 nan 8.270 nan 0.000 0.436 35 L N 0.160 121.427 121.223 0.074 0.000 2.012 35 L HA -0.148 4.192 4.340 -0.001 0.000 0.210 35 L C 1.822 178.711 176.870 0.032 0.000 1.073 35 L CA 2.520 57.389 54.840 0.047 0.000 0.748 35 L CB -1.141 40.936 42.059 0.030 0.000 0.891 35 L HN 0.319 nan 8.230 nan 0.000 0.431 36 T N 0.039 114.596 114.554 0.006 0.000 2.652 36 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 36 T C 2.008 176.696 174.700 -0.021 0.000 1.039 36 T CA 1.984 64.048 62.100 -0.060 0.000 1.153 36 T CB -0.521 68.215 68.868 -0.222 0.000 0.863 36 T HN 0.319 nan 8.240 nan 0.000 0.428 37 L N 0.846 122.116 121.223 0.078 0.000 2.079 37 L HA -0.145 4.195 4.340 -0.001 0.000 0.210 37 L C 2.560 179.454 176.870 0.040 0.000 1.081 37 L CA 1.303 56.219 54.840 0.127 0.000 0.752 37 L CB -0.611 41.563 42.059 0.192 0.000 0.896 37 L HN 0.384 nan 8.230 nan 0.000 0.433 38 N N -0.540 118.189 118.700 0.048 0.000 2.106 38 N HA -0.197 4.543 4.740 -0.001 0.000 0.188 38 N C 1.660 177.169 175.510 -0.002 0.000 1.029 38 N CA 1.127 54.194 53.050 0.029 0.000 0.848 38 N CB 0.082 38.596 38.487 0.046 0.000 1.007 38 N HN 0.381 nan 8.380 nan 0.000 0.423 39 E N 0.875 121.082 120.200 0.012 0.000 2.204 39 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 39 E C 2.048 178.559 176.600 -0.148 0.000 0.989 39 E CA 0.312 56.721 56.400 0.015 0.000 0.824 39 E CB 0.015 29.788 29.700 0.123 0.000 0.756 39 E HN 0.385 nan 8.360 nan 0.000 0.477 40 L N 0.899 122.052 121.223 -0.116 0.000 2.046 40 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 40 L C 2.684 179.434 176.870 -0.200 0.000 1.077 40 L CA 1.184 55.925 54.840 -0.164 0.000 0.747 40 L CB -0.087 41.907 42.059 -0.108 0.000 0.896 40 L HN 0.045 nan 8.230 nan 0.000 0.432 41 R N 0.137 120.544 120.500 -0.155 0.000 2.094 41 R HA -0.229 4.110 4.340 -0.001 0.000 0.239 41 R C 2.239 178.436 176.300 -0.172 0.000 1.137 41 R CA 2.006 58.028 56.100 -0.131 0.000 0.943 41 R CB -0.502 29.753 30.300 -0.074 0.000 0.850 41 R HN 0.457 nan 8.270 nan 0.000 0.433 42 Q N -0.790 118.876 119.800 -0.223 0.000 2.170 42 Q HA -0.080 4.260 4.340 -0.001 0.000 0.203 42 Q C 2.048 177.695 176.000 -0.588 0.000 0.976 42 Q CA 1.451 57.065 55.803 -0.315 0.000 0.858 42 Q CB -0.137 28.460 28.738 -0.236 0.000 0.907 42 Q HN 0.483 nan 8.270 nan 0.000 0.433 43 A N 0.446 122.830 122.820 -0.725 0.000 1.855 43 A HA -0.123 4.197 4.320 -0.001 0.000 0.215 43 A C 2.345 179.753 177.584 -0.294 0.000 1.191 43 A CA 1.271 52.900 52.037 -0.679 0.000 0.613 43 A CB -0.752 17.943 19.000 -0.507 0.000 0.829 43 A HN 0.191 nan 8.150 nan 0.000 0.442 44 V N 0.895 120.702 119.914 -0.178 0.000 2.287 44 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 44 V C 2.181 178.229 176.094 -0.077 0.000 1.053 44 V CA 2.316 64.581 62.300 -0.059 0.000 1.027 44 V CB -0.869 30.951 31.823 -0.004 0.000 0.646 44 V HN 0.519 nan 8.190 nan 0.000 0.447 45 D N 0.117 120.454 120.400 -0.103 0.000 2.149 45 D HA -0.147 4.492 4.640 -0.001 0.000 0.198 45 D C 2.206 178.464 176.300 -0.071 0.000 0.990 45 D CA 1.651 55.605 54.000 -0.075 0.000 0.839 45 D CB -0.033 40.723 40.800 -0.074 0.000 0.948 45 D HN 0.474 nan 8.370 nan 0.000 0.460 46 A N 1.153 123.910 122.820 -0.105 0.000 1.841 46 A HA -0.136 4.183 4.320 -0.001 0.000 0.214 46 A C 2.387 179.945 177.584 -0.044 0.000 1.195 46 A CA 0.875 52.874 52.037 -0.064 0.000 0.611 46 A CB -0.776 18.180 19.000 -0.073 0.000 0.835 46 A HN 0.147 nan 8.150 nan 0.000 0.443 47 I N -0.365 120.172 120.570 -0.055 0.000 2.163 47 I HA -0.320 3.850 4.170 -0.001 0.000 0.243 47 I C 2.589 178.680 176.117 -0.042 0.000 1.085 47 I CA 2.058 63.333 61.300 -0.042 0.000 1.347 47 I CB -0.371 37.603 38.000 -0.043 0.000 1.044 47 I HN 0.402 nan 8.210 nan 0.000 0.408 48 K N 1.244 121.617 120.400 -0.046 0.000 2.044 48 K HA -0.243 4.076 4.320 -0.001 0.000 0.210 48 K C 2.212 178.795 176.600 -0.028 0.000 1.049 48 K CA 1.849 58.112 56.287 -0.039 0.000 0.927 48 K CB -0.178 32.301 32.500 -0.034 0.000 0.713 48 K HN 0.328 nan 8.250 nan 0.000 0.443 49 A N 1.093 123.898 122.820 -0.025 0.000 1.933 49 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 49 A C 0.806 178.382 177.584 -0.014 0.000 1.175 49 A CA 1.250 53.277 52.037 -0.016 0.000 0.628 49 A CB -0.451 18.541 19.000 -0.014 0.000 0.814 49 A HN 0.496 nan 8.150 nan 0.000 0.444 50 D N 0.027 120.418 120.400 -0.015 0.000 2.346 50 D HA 0.395 5.035 4.640 -0.001 0.000 0.260 50 D C 0.804 177.095 176.300 -0.015 0.000 1.252 50 D CA 0.599 54.592 54.000 -0.012 0.000 0.895 50 D CB 1.003 41.797 40.800 -0.011 0.000 1.097 50 D HN 0.163 nan 8.370 nan 0.000 0.489 51 A N 2.975 125.788 122.820 -0.012 0.000 2.251 51 A HA 0.001 4.321 4.320 -0.001 0.000 0.209 51 A C 1.860 179.437 177.584 -0.013 0.000 1.187 51 A CA 0.711 52.741 52.037 -0.012 0.000 0.823 51 A CB -0.200 18.796 19.000 -0.008 0.000 0.846 51 A HN 0.542 nan 8.150 nan 0.000 0.486 52 S N -0.829 114.863 115.700 -0.013 0.000 2.501 52 S HA 0.114 4.584 4.470 -0.001 0.000 0.220 52 S C 0.575 175.164 174.600 -0.020 0.000 0.997 52 S CA 0.150 58.342 58.200 -0.014 0.000 0.919 52 S CB -0.655 62.539 63.200 -0.011 0.000 0.778 52 S HN 0.098 nan 8.310 nan 0.000 0.523 53 V N 2.965 122.865 119.914 -0.024 0.000 2.694 53 V HA 0.125 4.245 4.120 -0.001 0.000 0.306 53 V C 0.858 176.927 176.094 -0.043 0.000 1.054 53 V CA 0.354 62.634 62.300 -0.033 0.000 1.161 53 V CB 0.542 32.342 31.823 -0.039 0.000 0.916 53 V HN 0.364 nan 8.190 nan 0.000 0.490 54 K N 2.829 123.198 120.400 -0.052 0.000 2.469 54 K HA 0.414 4.733 4.320 -0.001 0.000 0.204 54 K C 0.320 176.857 176.600 -0.104 0.000 1.047 54 K CA 0.460 56.706 56.287 -0.068 0.000 1.072 54 K CB 1.297 33.765 32.500 -0.053 0.000 0.863 54 K HN 0.944 nan 8.250 nan 0.000 0.530 55 G N -0.138 108.601 108.800 -0.102 0.000 2.358 55 G HA2 0.277 4.237 3.960 -0.001 0.000 0.301 55 G HA3 0.277 4.237 3.960 -0.001 0.000 0.301 55 G C -1.840 173.014 174.900 -0.076 0.000 1.539 55 G CA -0.708 44.318 45.100 -0.123 0.000 0.893 55 G HN -0.149 nan 8.290 nan 0.000 0.636 56 V N 1.168 121.045 119.914 -0.062 0.000 2.577 56 V HA 0.603 4.723 4.120 -0.001 0.000 0.303 56 V C -0.146 176.004 176.094 0.093 0.000 1.042 56 V CA -0.613 61.694 62.300 0.011 0.000 0.872 56 V CB 1.656 33.474 31.823 -0.009 0.000 0.998 56 V HN 0.717 nan 8.190 nan 0.000 0.423 57 I N 4.384 125.019 120.570 0.108 0.000 2.404 57 I HA 0.515 4.685 4.170 -0.001 0.000 0.293 57 I C -0.592 175.639 176.117 0.191 0.000 0.992 57 I CA -0.914 60.471 61.300 0.142 0.000 1.149 57 I CB 2.154 40.208 38.000 0.090 0.000 1.315 57 I HN 0.292 nan 8.210 nan 0.000 0.446 58 V N 5.665 125.741 119.914 0.271 0.000 2.394 58 V HA 0.518 4.638 4.120 -0.001 0.000 0.282 58 V C 0.186 176.521 176.094 0.401 0.000 1.031 58 V CA -0.170 62.329 62.300 0.332 0.000 0.881 58 V CB 1.352 33.444 31.823 0.447 0.000 0.982 58 V HN 0.949 nan 8.190 nan 0.000 0.451 59 S N 3.193 119.092 115.700 0.332 0.000 2.851 59 S HA 0.856 5.325 4.470 -0.001 0.000 0.313 59 S C -0.561 174.159 174.600 0.200 0.000 1.163 59 S CA -0.717 57.687 58.200 0.341 0.000 0.850 59 S CB 2.129 65.446 63.200 0.194 0.000 1.245 59 S HN 0.734 nan 8.310 nan 0.000 0.558 60 S N -1.526 114.260 115.700 0.143 0.000 2.540 60 S HA 0.643 5.112 4.470 -0.001 0.000 0.275 60 S C 0.150 174.779 174.600 0.048 0.000 1.123 60 S CA -0.187 58.025 58.200 0.021 0.000 0.907 60 S CB 1.237 64.377 63.200 -0.099 0.000 1.081 60 S HN 1.387 nan 8.310 nan 0.000 0.476 61 G N 1.866 110.677 108.800 0.019 0.000 3.448 61 G HA2 0.537 4.496 3.960 -0.001 0.000 0.261 61 G HA3 0.537 4.496 3.960 -0.001 0.000 0.261 61 G C 0.200 175.110 174.900 0.016 0.000 1.173 61 G CA 0.325 45.436 45.100 0.019 0.000 0.835 61 G HN 0.944 nan 8.290 nan 0.000 0.534 62 K N -0.397 120.014 120.400 0.019 0.000 2.279 62 K HA 0.521 4.841 4.320 -0.001 0.000 0.238 62 K C 0.580 177.202 176.600 0.038 0.000 1.084 62 K CA -0.267 56.031 56.287 0.018 0.000 0.885 62 K CB 0.195 32.697 32.500 0.002 0.000 1.319 62 K HN -0.081 nan 8.250 nan 0.000 0.494 63 D N -0.130 120.291 120.400 0.035 0.000 2.234 63 D HA 0.000 4.640 4.640 -0.001 0.000 0.205 63 D C 1.060 177.398 176.300 0.063 0.000 0.962 63 D CA 1.662 55.689 54.000 0.045 0.000 0.855 63 D CB -0.003 40.817 40.800 0.033 0.000 0.951 63 D HN 0.475 nan 8.370 nan 0.000 0.500 64 V N -2.428 117.523 119.914 0.062 0.000 2.994 64 V HA 0.368 4.488 4.120 -0.001 0.000 0.318 64 V C 0.892 177.061 176.094 0.125 0.000 1.085 64 V CA -1.050 61.305 62.300 0.091 0.000 0.998 64 V CB 1.697 33.559 31.823 0.064 0.000 1.063 64 V HN -0.150 nan 8.190 nan 0.000 0.447 65 F N 1.980 121.939 119.950 0.014 0.000 2.044 65 F HA 0.478 5.005 4.527 -0.001 0.000 0.286 65 F C 0.752 176.529 175.800 -0.038 0.000 1.173 65 F CA 1.009 59.014 58.000 0.009 0.000 1.141 65 F CB 0.285 39.294 39.000 0.014 0.000 1.012 65 F HN 0.396 nan 8.300 nan 0.000 0.482 66 I N 1.484 122.106 120.570 0.088 0.000 2.560 66 I HA 0.203 4.372 4.170 -0.001 0.000 0.283 66 I C -0.579 175.590 176.117 0.087 0.000 1.115 66 I CA -0.982 60.280 61.300 -0.064 0.000 1.066 66 I CB 1.639 39.532 38.000 -0.178 0.000 1.221 66 I HN 0.053 nan 8.210 nan 0.000 0.450 67 V N 3.025 122.969 119.914 0.049 0.000 3.546 67 V HA 0.631 4.751 4.120 -0.001 0.000 0.296 67 V C 1.238 177.387 176.094 0.091 0.000 1.082 67 V CA 0.106 62.447 62.300 0.067 0.000 1.086 67 V CB 0.085 31.935 31.823 0.045 0.000 1.174 67 V HN 0.747 nan 8.190 nan 0.000 0.464 68 G N -0.353 108.496 108.800 0.081 0.000 2.492 68 G HA2 0.409 4.369 3.960 -0.001 0.000 0.308 68 G HA3 0.409 4.369 3.960 -0.001 0.000 0.308 68 G C 0.094 175.065 174.900 0.117 0.000 1.323 68 G CA -0.089 45.065 45.100 0.089 0.000 1.132 68 G HN 1.711 nan 8.290 nan 0.000 0.630 69 A N -1.095 121.790 122.820 0.109 0.000 2.312 69 A HA 0.520 4.839 4.320 -0.001 0.000 0.328 69 A C -0.192 177.443 177.584 0.084 0.000 1.158 69 A CA -0.510 51.603 52.037 0.127 0.000 0.821 69 A CB 1.164 20.237 19.000 0.121 0.000 1.170 69 A HN 0.515 nan 8.150 nan 0.000 0.490 70 D N 2.561 123.014 120.400 0.088 0.000 2.453 70 D HA 0.114 4.753 4.640 -0.001 0.000 0.223 70 D C 0.934 177.279 176.300 0.075 0.000 1.183 70 D CA -0.002 54.042 54.000 0.074 0.000 0.933 70 D CB 0.479 41.320 40.800 0.068 0.000 1.038 70 D HN 0.533 nan 8.370 nan 0.000 0.513 71 I N 2.688 123.282 120.570 0.040 0.000 2.700 71 I HA -0.273 3.897 4.170 -0.001 0.000 0.261 71 I C 2.199 178.328 176.117 0.021 0.000 1.219 71 I CA 1.090 62.388 61.300 -0.003 0.000 1.463 71 I CB 0.180 38.081 38.000 -0.166 0.000 1.092 71 I HN 0.388 nan 8.210 nan 0.000 0.452 72 T N -1.867 112.712 114.554 0.041 0.000 2.778 72 T HA -0.256 4.093 4.350 -0.001 0.000 0.269 72 T C 1.428 176.167 174.700 0.064 0.000 1.050 72 T CA 1.825 63.953 62.100 0.046 0.000 1.137 72 T CB -0.526 68.377 68.868 0.057 0.000 0.860 72 T HN 0.536 nan 8.240 nan 0.000 0.468 73 E N -0.356 119.908 120.200 0.107 0.000 2.371 73 E HA 0.183 4.532 4.350 -0.001 0.000 0.194 73 E C 1.299 177.993 176.600 0.158 0.000 1.012 73 E CA 0.272 56.746 56.400 0.122 0.000 0.860 73 E CB -0.152 29.637 29.700 0.148 0.000 0.811 73 E HN 0.515 nan 8.360 nan 0.000 0.502 74 F N 0.213 120.161 119.950 -0.003 0.000 2.754 74 F HA 0.017 4.543 4.527 -0.001 0.000 0.297 74 F C 1.747 177.518 175.800 -0.049 0.000 1.122 74 F CA 0.062 58.061 58.000 -0.002 0.000 1.400 74 F CB 0.403 39.410 39.000 0.011 0.000 1.117 74 F HN -0.166 nan 8.300 nan 0.000 0.587 75 V N 0.151 120.084 119.914 0.032 0.000 2.287 75 V HA -0.316 3.804 4.120 -0.001 0.000 0.248 75 V C 1.984 178.043 176.094 -0.059 0.000 1.053 75 V CA 2.204 64.478 62.300 -0.043 0.000 1.027 75 V CB -0.708 31.093 31.823 -0.037 0.000 0.646 75 V HN 0.312 nan 8.190 nan 0.000 0.447 76 E N 0.445 120.609 120.200 -0.060 0.000 2.338 76 E HA -0.176 4.173 4.350 -0.001 0.000 0.197 76 E C 1.323 177.858 176.600 -0.109 0.000 1.007 76 E CA 1.115 57.474 56.400 -0.068 0.000 0.849 76 E CB -0.271 29.398 29.700 -0.051 0.000 0.774 76 E HN 0.634 nan 8.360 nan 0.000 0.506 77 N N -1.071 117.519 118.700 -0.184 0.000 2.322 77 N HA 0.017 4.757 4.740 -0.001 0.000 0.194 77 N C 0.692 176.098 175.510 -0.173 0.000 1.126 77 N CA 0.278 53.178 53.050 -0.251 0.000 0.845 77 N CB 0.173 38.334 38.487 -0.545 0.000 0.976 77 N HN 0.249 nan 8.380 nan 0.000 0.475 78 F N -0.614 119.271 119.950 -0.109 0.000 2.724 78 F HA 0.425 4.952 4.527 -0.001 0.000 0.306 78 F C 2.091 177.852 175.800 -0.066 0.000 1.100 78 F CA 0.302 58.260 58.000 -0.070 0.000 1.255 78 F CB -0.924 38.036 39.000 -0.066 0.000 1.072 78 F HN 0.212 nan 8.300 nan 0.000 0.589 79 K N 0.530 120.893 120.400 -0.062 0.000 2.444 79 K HA 0.548 4.868 4.320 -0.001 0.000 0.193 79 K C 0.632 177.206 176.600 -0.043 0.000 1.024 79 K CA 0.463 56.721 56.287 -0.049 0.000 1.077 79 K CB -0.845 31.629 32.500 -0.042 0.000 0.833 79 K HN 0.629 nan 8.250 nan 0.000 0.517 80 L N 0.183 121.378 121.223 -0.046 0.000 2.488 80 L HA 0.361 4.700 4.340 -0.001 0.000 0.249 80 L C -2.118 174.733 176.870 -0.031 0.000 1.151 80 L CA -2.400 52.418 54.840 -0.037 0.000 0.806 80 L CB 0.858 42.893 42.059 -0.040 0.000 1.261 80 L HN 0.020 nan 8.230 nan 0.000 0.484 81 P HA 0.043 nan 4.420 nan 0.000 0.270 81 P C -0.595 176.694 177.300 -0.017 0.000 1.223 81 P CA -0.143 62.946 63.100 -0.019 0.000 0.785 81 P CB 0.395 32.086 31.700 -0.014 0.000 0.923 82 D N 0.570 120.960 120.400 -0.017 0.000 2.265 82 D HA -0.150 4.490 4.640 -0.001 0.000 0.208 82 D C 1.758 178.058 176.300 0.001 0.000 0.977 82 D CA 1.571 55.564 54.000 -0.011 0.000 0.871 82 D CB -0.290 40.501 40.800 -0.016 0.000 0.925 82 D HN 0.339 nan 8.370 nan 0.000 0.485 83 A N 0.733 123.552 122.820 -0.002 0.000 1.855 83 A HA -0.089 4.230 4.320 -0.001 0.000 0.213 83 A C 1.786 179.373 177.584 0.005 0.000 1.195 83 A CA 0.720 52.758 52.037 0.002 0.000 0.610 83 A CB -0.286 18.714 19.000 -0.001 0.000 0.837 83 A HN 0.108 nan 8.150 nan 0.000 0.444 84 E N -0.812 119.387 120.200 -0.002 0.000 2.505 84 E HA 0.022 4.371 4.350 -0.001 0.000 0.197 84 E C 1.099 177.697 176.600 -0.005 0.000 1.111 84 E CA 0.104 56.501 56.400 -0.005 0.000 0.887 84 E CB 0.089 29.781 29.700 -0.014 0.000 0.913 84 E HN 0.479 nan 8.360 nan 0.000 0.517 85 L N -0.733 120.495 121.223 0.008 0.000 2.586 85 L HA 0.179 4.519 4.340 -0.001 0.000 0.204 85 L C 1.634 178.544 176.870 0.067 0.000 1.053 85 L CA 0.825 55.680 54.840 0.026 0.000 0.856 85 L CB 0.107 42.176 42.059 0.016 0.000 1.192 85 L HN 0.014 nan 8.230 nan 0.000 0.484 86 I N 0.493 121.097 120.570 0.057 0.000 2.179 86 I HA -0.227 3.943 4.170 -0.001 0.000 0.242 86 I C 2.410 178.565 176.117 0.063 0.000 1.088 86 I CA 1.342 62.683 61.300 0.068 0.000 1.357 86 I CB -0.457 37.570 38.000 0.045 0.000 1.051 86 I HN 0.340 nan 8.210 nan 0.000 0.409 87 A N 0.634 123.480 122.820 0.044 0.000 2.121 87 A HA -0.035 4.285 4.320 -0.001 0.000 0.218 87 A C 2.307 179.926 177.584 0.057 0.000 1.154 87 A CA 1.513 53.575 52.037 0.042 0.000 0.679 87 A CB -1.072 17.943 19.000 0.026 0.000 0.795 87 A HN 0.492 nan 8.150 nan 0.000 0.458 88 G N 0.162 108.999 108.800 0.062 0.000 2.395 88 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.214 88 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.214 88 G C 1.329 176.319 174.900 0.151 0.000 1.177 88 G CA 0.747 45.890 45.100 0.072 0.000 0.794 88 G HN 0.559 nan 8.290 nan 0.000 0.532 89 N N 0.327 119.132 118.700 0.175 0.000 2.331 89 N HA -0.015 4.725 4.740 -0.001 0.000 0.180 89 N C 2.037 177.655 175.510 0.180 0.000 1.019 89 N CA 0.333 53.515 53.050 0.220 0.000 0.881 89 N CB -0.088 38.460 38.487 0.102 0.000 0.972 89 N HN 0.163 nan 8.380 nan 0.000 0.435 90 L N 1.941 123.238 121.223 0.123 0.000 2.017 90 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 90 L C 2.458 179.400 176.870 0.120 0.000 1.073 90 L CA 1.630 56.530 54.840 0.100 0.000 0.745 90 L CB -0.493 41.606 42.059 0.066 0.000 0.894 90 L HN 0.197 nan 8.230 nan 0.000 0.432 91 E N -0.961 119.309 120.200 0.118 0.000 2.110 91 E HA -0.230 4.119 4.350 -0.001 0.000 0.193 91 E C 2.085 178.773 176.600 0.148 0.000 0.988 91 E CA 1.002 57.467 56.400 0.110 0.000 0.804 91 E CB -0.076 29.677 29.700 0.088 0.000 0.745 91 E HN 0.534 nan 8.360 nan 0.000 0.458 92 A N 1.276 124.229 122.820 0.223 0.000 1.930 92 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 92 A C 1.965 179.737 177.584 0.314 0.000 1.175 92 A CA 1.338 53.547 52.037 0.286 0.000 0.627 92 A CB -0.500 18.802 19.000 0.504 0.000 0.815 92 A HN 0.270 nan 8.150 nan 0.000 0.443 93 N N -0.189 118.701 118.700 0.317 0.000 2.396 93 N HA -0.080 4.660 4.740 -0.001 0.000 0.180 93 N C 1.429 177.094 175.510 0.257 0.000 1.028 93 N CA 0.854 54.100 53.050 0.326 0.000 0.893 93 N CB -0.151 38.455 38.487 0.199 0.000 0.967 93 N HN 0.546 nan 8.380 nan 0.000 0.440 94 K N 0.714 121.215 120.400 0.168 0.000 2.147 94 K HA -0.046 4.274 4.320 -0.001 0.000 0.205 94 K C 1.957 178.609 176.600 0.087 0.000 1.049 94 K CA 0.685 57.038 56.287 0.110 0.000 0.936 94 K CB 0.061 32.606 32.500 0.075 0.000 0.722 94 K HN 0.185 nan 8.250 nan 0.000 0.446 95 I N 0.173 120.769 120.570 0.044 0.000 2.072 95 I HA -0.284 3.885 4.170 -0.001 0.000 0.235 95 I C 1.947 178.017 176.117 -0.080 0.000 1.058 95 I CA 1.544 62.778 61.300 -0.109 0.000 1.320 95 I CB -0.471 37.314 38.000 -0.358 0.000 1.047 95 I HN 0.014 nan 8.210 nan 0.000 0.397 96 F N 0.995 120.967 119.950 0.037 0.000 2.161 96 F HA -0.221 4.305 4.527 -0.001 0.000 0.300 96 F C 2.825 178.709 175.800 0.140 0.000 1.089 96 F CA 1.407 59.446 58.000 0.066 0.000 1.282 96 F CB -1.093 37.889 39.000 -0.029 0.000 1.010 96 F HN -0.017 nan 8.300 nan 0.000 0.485 97 S N -0.346 115.524 115.700 0.284 0.000 2.368 97 S HA -0.195 4.275 4.470 -0.001 0.000 0.225 97 S C 1.752 176.446 174.600 0.157 0.000 1.030 97 S CA 1.482 59.797 58.200 0.192 0.000 0.999 97 S CB -0.364 62.920 63.200 0.139 0.000 0.844 97 S HN 0.382 nan 8.310 nan 0.000 0.459 98 D N 0.334 120.814 120.400 0.133 0.000 2.117 98 D HA -0.048 4.591 4.640 -0.001 0.000 0.198 98 D C 1.635 178.001 176.300 0.110 0.000 0.982 98 D CA 0.735 54.790 54.000 0.091 0.000 0.828 98 D CB -0.251 40.582 40.800 0.055 0.000 0.967 98 D HN 0.382 nan 8.370 nan 0.000 0.464 99 F N 1.977 121.943 119.950 0.026 0.000 2.202 99 F HA -0.154 4.373 4.527 -0.001 0.000 0.301 99 F C 2.207 178.053 175.800 0.078 0.000 1.082 99 F CA 1.371 59.395 58.000 0.041 0.000 1.313 99 F CB 0.043 39.071 39.000 0.047 0.000 1.024 99 F HN -0.117 nan 8.300 nan 0.000 0.495 100 E N -0.521 119.842 120.200 0.271 0.000 2.274 100 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 100 E C 0.998 177.638 176.600 0.066 0.000 0.996 100 E CA 1.028 57.540 56.400 0.186 0.000 0.840 100 E CB -0.113 29.714 29.700 0.212 0.000 0.772 100 E HN 0.419 nan 8.360 nan 0.000 0.491 101 D N 0.269 120.695 120.400 0.044 0.000 2.349 101 D HA 0.019 4.659 4.640 -0.001 0.000 0.214 101 D C -0.247 176.047 176.300 -0.010 0.000 1.063 101 D CA -0.050 53.964 54.000 0.023 0.000 0.847 101 D CB 0.293 41.112 40.800 0.031 0.000 0.933 101 D HN 0.126 nan 8.370 nan 0.000 0.513 102 L N 1.738 122.916 121.223 -0.075 0.000 2.584 102 L HA -0.056 4.283 4.340 -0.001 0.000 0.272 102 L C 1.039 177.896 176.870 -0.022 0.000 1.195 102 L CA 0.241 55.019 54.840 -0.104 0.000 0.920 102 L CB -0.050 41.851 42.059 -0.265 0.000 1.173 102 L HN -0.165 nan 8.230 nan 0.000 0.489 103 N N 3.061 121.764 118.700 0.005 0.000 3.167 103 N HA 0.218 4.957 4.740 -0.001 0.000 0.318 103 N C -1.007 174.548 175.510 0.075 0.000 1.268 103 N CA 0.115 53.205 53.050 0.066 0.000 1.197 103 N CB -0.050 38.463 38.487 0.042 0.000 1.464 103 N HN 0.334 nan 8.380 nan 0.000 0.555 104 V N 0.915 120.862 119.914 0.056 0.000 3.177 104 V HA 0.377 4.497 4.120 -0.001 0.000 0.287 104 V C -2.537 173.368 176.094 -0.314 0.000 1.465 104 V CA -1.679 60.541 62.300 -0.133 0.000 1.020 104 V CB 2.350 34.091 31.823 -0.137 0.000 1.152 104 V HN 0.182 nan 8.190 nan 0.000 0.448 105 P HA 0.338 nan 4.420 nan 0.000 0.268 105 P C -1.180 176.009 177.300 -0.185 0.000 1.205 105 P CA 0.209 62.959 63.100 -0.584 0.000 0.771 105 P CB 0.435 31.727 31.700 -0.680 0.000 0.858 106 T N -0.412 114.149 114.554 0.013 0.000 2.928 106 T HA 0.617 4.967 4.350 -0.001 0.000 0.296 106 T C -0.772 174.088 174.700 0.268 0.000 1.000 106 T CA -0.669 61.492 62.100 0.101 0.000 0.989 106 T CB 0.613 69.481 68.868 0.000 0.000 1.005 106 T HN 0.014 nan 8.240 nan 0.000 0.442 107 V N 1.751 121.812 119.914 0.246 0.000 2.769 107 V HA 0.866 4.986 4.120 -0.001 0.000 0.312 107 V C 0.014 176.259 176.094 0.252 0.000 1.061 107 V CA -1.138 61.315 62.300 0.255 0.000 0.931 107 V CB 2.002 33.917 31.823 0.153 0.000 1.010 107 V HN 1.268 nan 8.190 nan 0.000 0.433 108 A N 2.931 125.876 122.820 0.209 0.000 2.277 108 A HA 0.779 5.098 4.320 -0.001 0.000 0.318 108 A C 0.286 177.905 177.584 0.057 0.000 1.339 108 A CA -0.257 51.875 52.037 0.158 0.000 0.875 108 A CB 0.653 19.698 19.000 0.076 0.000 1.158 108 A HN 1.308 nan 8.150 nan 0.000 0.514 109 A N 4.125 127.020 122.820 0.125 0.000 2.805 109 A HA 0.502 4.822 4.320 -0.001 0.000 0.301 109 A C 0.137 177.746 177.584 0.042 0.000 1.557 109 A CA -0.224 51.867 52.037 0.090 0.000 1.254 109 A CB -0.844 18.238 19.000 0.137 0.000 1.114 109 A HN 0.757 nan 8.150 nan 0.000 0.553 110 I N 3.328 123.801 120.570 -0.161 0.000 2.494 110 I HA -0.027 4.143 4.170 -0.001 0.000 0.289 110 I C 1.235 177.348 176.117 -0.007 0.000 1.106 110 I CA -0.378 60.748 61.300 -0.291 0.000 1.369 110 I CB 0.341 38.128 38.000 -0.354 0.000 1.410 110 I HN 0.814 nan 8.210 nan 0.000 0.523 111 N N 5.287 124.076 118.700 0.149 0.000 2.387 111 N HA 0.068 4.808 4.740 -0.001 0.000 0.176 111 N C 0.658 176.235 175.510 0.112 0.000 1.022 111 N CA 0.502 53.635 53.050 0.138 0.000 0.883 111 N CB 0.553 39.145 38.487 0.176 0.000 1.019 111 N HN 0.613 nan 8.380 nan 0.000 0.435 112 G N 0.428 109.318 108.800 0.150 0.000 2.871 112 G HA2 0.431 4.390 3.960 -0.001 0.000 0.282 112 G HA3 0.431 4.390 3.960 -0.001 0.000 0.282 112 G C -0.879 174.091 174.900 0.118 0.000 1.212 112 G CA -0.690 44.477 45.100 0.111 0.000 0.812 112 G HN 0.003 nan 8.290 nan 0.000 0.547 113 I N 1.646 122.274 120.570 0.097 0.000 2.996 113 I HA 0.199 4.369 4.170 -0.001 0.000 0.310 113 I C 0.759 176.962 176.117 0.143 0.000 1.225 113 I CA 0.601 61.952 61.300 0.086 0.000 1.442 113 I CB 0.051 38.089 38.000 0.064 0.000 1.334 113 I HN 0.586 nan 8.210 nan 0.000 0.550 114 A N 8.558 131.443 122.820 0.108 0.000 3.216 114 A HA 0.613 4.932 4.320 -0.001 0.000 0.321 114 A C -0.334 177.305 177.584 0.091 0.000 1.042 114 A CA -0.525 51.601 52.037 0.150 0.000 0.838 114 A CB 0.222 19.258 19.000 0.059 0.000 1.136 114 A HN 0.607 nan 8.150 nan 0.000 0.483 115 L N 0.739 122.012 121.223 0.083 0.000 2.375 115 L HA 0.721 5.060 4.340 -0.001 0.000 0.268 115 L C 1.583 178.490 176.870 0.061 0.000 1.058 115 L CA 0.150 55.021 54.840 0.051 0.000 0.803 115 L CB 1.128 43.207 42.059 0.034 0.000 1.212 115 L HN 0.856 nan 8.230 nan 0.000 0.451 116 G N 1.363 110.188 108.800 0.042 0.000 2.672 116 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.324 116 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.324 116 G C 0.944 175.848 174.900 0.007 0.000 1.286 116 G CA 0.471 45.588 45.100 0.029 0.000 1.004 116 G HN 1.016 nan 8.290 nan 0.000 0.548 117 G N 0.527 109.330 108.800 0.005 0.000 2.479 117 G HA2 0.209 4.169 3.960 -0.001 0.000 0.220 117 G HA3 0.209 4.169 3.960 -0.001 0.000 0.220 117 G C 1.785 176.614 174.900 -0.118 0.000 1.115 117 G CA 1.789 46.824 45.100 -0.108 0.000 0.757 117 G HN 1.676 nan 8.290 nan 0.000 0.560 118 G N 0.570 109.426 108.800 0.093 0.000 2.422 118 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.218 118 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.218 118 G C 1.664 176.674 174.900 0.184 0.000 1.146 118 G CA 0.652 45.881 45.100 0.215 0.000 0.769 118 G HN 0.425 nan 8.290 nan 0.000 0.547 119 L N -0.134 121.140 121.223 0.085 0.000 2.131 119 L HA 0.088 4.428 4.340 -0.001 0.000 0.206 119 L C 2.824 179.698 176.870 0.007 0.000 1.087 119 L CA 0.874 55.747 54.840 0.055 0.000 0.767 119 L CB -0.218 41.888 42.059 0.080 0.000 0.917 119 L HN 0.299 nan 8.230 nan 0.000 0.441 120 E N -0.477 119.682 120.200 -0.069 0.000 2.160 120 E HA -0.319 4.030 4.350 -0.001 0.000 0.195 120 E C 1.926 178.419 176.600 -0.179 0.000 0.991 120 E CA 1.562 57.854 56.400 -0.179 0.000 0.810 120 E CB -0.114 29.387 29.700 -0.331 0.000 0.742 120 E HN 0.370 nan 8.360 nan 0.000 0.466 121 M N 0.250 119.804 119.600 -0.076 0.000 2.200 121 M HA -0.090 4.390 4.480 -0.001 0.000 0.265 121 M C 1.960 178.333 176.300 0.122 0.000 1.066 121 M CA 1.497 56.885 55.300 0.147 0.000 1.127 121 M CB -0.199 32.585 32.600 0.307 0.000 1.379 121 M HN 0.111 nan 8.290 nan 0.000 0.420 122 C N -0.144 119.216 119.300 0.099 0.000 2.446 122 C HA -0.054 4.406 4.460 -0.001 0.000 0.277 122 C C 2.586 177.615 174.990 0.066 0.000 1.275 122 C CA 0.683 59.735 59.018 0.056 0.000 1.727 122 C CB -1.446 26.261 27.740 -0.054 0.000 2.010 122 C HN 0.600 nan 8.230 nan 0.000 0.486 123 L N 1.314 122.559 121.223 0.037 0.000 2.261 123 L HA -0.159 4.181 4.340 -0.001 0.000 0.216 123 L C 2.772 179.688 176.870 0.076 0.000 1.114 123 L CA 1.288 56.145 54.840 0.029 0.000 0.777 123 L CB -0.718 41.337 42.059 -0.006 0.000 0.910 123 L HN 0.374 nan 8.230 nan 0.000 0.440 124 A N 0.218 123.116 122.820 0.130 0.000 1.929 124 A HA 0.156 4.475 4.320 -0.001 0.000 0.216 124 A C 1.609 179.411 177.584 0.363 0.000 1.176 124 A CA 0.876 53.058 52.037 0.242 0.000 0.628 124 A CB -0.398 18.786 19.000 0.307 0.000 0.816 124 A HN 0.329 nan 8.150 nan 0.000 0.444 125 A N -0.006 123.049 122.820 0.392 0.000 2.366 125 A HA 0.326 4.645 4.320 -0.001 0.000 0.250 125 A C 0.738 178.475 177.584 0.254 0.000 1.099 125 A CA 0.307 52.638 52.037 0.490 0.000 0.794 125 A CB 0.164 19.448 19.000 0.473 0.000 1.056 125 A HN 0.385 nan 8.150 nan 0.000 0.499 126 D N -0.623 119.924 120.400 0.245 0.000 2.106 126 D HA 0.062 4.702 4.640 -0.001 0.000 0.203 126 D C -0.100 176.140 176.300 -0.099 0.000 0.977 126 D CA 1.429 55.489 54.000 0.100 0.000 0.844 126 D CB -0.107 40.865 40.800 0.286 0.000 1.002 126 D HN 0.436 nan 8.370 nan 0.000 0.461 127 F N -0.058 119.958 119.950 0.110 0.000 2.523 127 F HA 0.497 5.024 4.527 -0.001 0.000 0.329 127 F C 0.424 176.265 175.800 0.069 0.000 1.061 127 F CA -0.791 57.255 58.000 0.076 0.000 0.967 127 F CB 1.451 40.490 39.000 0.065 0.000 1.218 127 F HN -0.493 nan 8.300 nan 0.000 0.480 128 R N 1.007 121.639 120.500 0.220 0.000 2.510 128 R HA 0.613 4.953 4.340 -0.001 0.000 0.294 128 R C -1.825 174.530 176.300 0.092 0.000 1.056 128 R CA -0.638 55.530 56.100 0.113 0.000 0.918 128 R CB 2.206 32.531 30.300 0.041 0.000 1.187 128 R HN 0.394 nan 8.270 nan 0.000 0.437 129 V N 4.076 124.031 119.914 0.068 0.000 2.532 129 V HA 0.557 4.676 4.120 -0.001 0.000 0.295 129 V C 0.046 176.148 176.094 0.014 0.000 1.041 129 V CA -0.639 61.692 62.300 0.051 0.000 0.926 129 V CB 1.750 33.606 31.823 0.054 0.000 0.992 129 V HN 0.729 nan 8.190 nan 0.000 0.457 130 M N 3.164 122.775 119.600 0.019 0.000 2.446 130 M HA 0.770 5.249 4.480 -0.001 0.000 0.294 130 M C -0.583 175.730 176.300 0.021 0.000 1.158 130 M CA -0.602 54.702 55.300 0.006 0.000 0.899 130 M CB 2.002 34.606 32.600 0.008 0.000 1.687 130 M HN 0.760 nan 8.290 nan 0.000 0.455 131 A N 2.489 125.323 122.820 0.022 0.000 2.409 131 A HA 0.288 4.608 4.320 -0.001 0.000 0.262 131 A C 0.580 178.180 177.584 0.027 0.000 1.113 131 A CA -0.237 51.818 52.037 0.029 0.000 0.790 131 A CB 0.071 19.093 19.000 0.037 0.000 1.046 131 A HN 0.951 nan 8.150 nan 0.000 0.496 132 D N 1.855 122.270 120.400 0.026 0.000 2.315 132 D HA -0.179 4.460 4.640 -0.001 0.000 0.211 132 D C 1.142 177.455 176.300 0.022 0.000 0.977 132 D CA 1.695 55.709 54.000 0.024 0.000 0.894 132 D CB -0.428 40.385 40.800 0.022 0.000 0.910 132 D HN 0.445 nan 8.370 nan 0.000 0.490 133 S N -1.440 114.273 115.700 0.023 0.000 2.583 133 S HA 0.632 5.102 4.470 -0.001 0.000 0.239 133 S C 0.556 175.169 174.600 0.021 0.000 0.966 133 S CA -0.435 57.777 58.200 0.020 0.000 0.973 133 S CB 0.100 63.313 63.200 0.021 0.000 0.794 133 S HN 0.491 nan 8.310 nan 0.000 0.463 134 A N 1.435 124.268 122.820 0.022 0.000 2.282 134 A HA 0.865 5.185 4.320 -0.001 0.000 0.324 134 A C -0.209 177.381 177.584 0.010 0.000 1.119 134 A CA -0.829 51.220 52.037 0.021 0.000 0.880 134 A CB 1.119 20.133 19.000 0.023 0.000 1.294 134 A HN 0.405 nan 8.150 nan 0.000 0.493 135 K N -0.378 120.024 120.400 0.005 0.000 2.502 135 K HA 0.648 4.968 4.320 -0.001 0.000 0.257 135 K C -1.490 175.097 176.600 -0.022 0.000 0.938 135 K CA -0.345 55.930 56.287 -0.020 0.000 0.819 135 K CB 2.437 34.917 32.500 -0.032 0.000 1.333 135 K HN 0.756 nan 8.250 nan 0.000 0.434 136 I N -2.324 118.210 120.570 -0.059 0.000 2.913 136 I HA 0.895 5.064 4.170 -0.001 0.000 0.302 136 I C -0.420 175.586 176.117 -0.185 0.000 1.246 136 I CA -0.757 60.517 61.300 -0.043 0.000 1.010 136 I CB 2.515 40.550 38.000 0.059 0.000 1.259 136 I HN 0.713 nan 8.210 nan 0.000 0.434 137 G N 3.506 112.242 108.800 -0.106 0.000 2.342 137 G HA2 0.493 4.452 3.960 -0.001 0.000 0.297 137 G HA3 0.493 4.452 3.960 -0.001 0.000 0.297 137 G C -2.036 172.853 174.900 -0.018 0.000 1.313 137 G CA -0.910 44.077 45.100 -0.188 0.000 0.830 137 G HN 0.658 nan 8.290 nan 0.000 0.506 138 L N 1.529 122.752 121.223 -0.001 0.000 2.470 138 L HA 0.352 4.692 4.340 -0.001 0.000 0.253 138 L C -1.899 174.991 176.870 0.034 0.000 1.163 138 L CA -1.517 53.350 54.840 0.046 0.000 0.932 138 L CB 2.536 44.655 42.059 0.100 0.000 1.213 138 L HN 0.400 nan 8.230 nan 0.000 0.485 139 P HA 0.013 nan 4.420 nan 0.000 0.255 139 P C 0.519 177.850 177.300 0.052 0.000 1.427 139 P CA 0.088 63.202 63.100 0.023 0.000 0.863 139 P CB 0.393 32.099 31.700 0.010 0.000 1.444 140 E N 0.690 120.932 120.200 0.070 0.000 2.130 140 E HA -0.149 4.201 4.350 -0.001 0.000 0.196 140 E C 2.096 178.756 176.600 0.099 0.000 0.998 140 E CA 1.568 58.026 56.400 0.097 0.000 0.806 140 E CB -1.471 28.299 29.700 0.117 0.000 0.738 140 E HN 0.339 nan 8.360 nan 0.000 0.459 141 V N -0.252 119.715 119.914 0.089 0.000 2.546 141 V HA -0.215 3.905 4.120 -0.001 0.000 0.254 141 V C 2.401 178.516 176.094 0.035 0.000 1.076 141 V CA 2.775 65.117 62.300 0.071 0.000 1.087 141 V CB -1.589 30.274 31.823 0.067 0.000 0.674 141 V HN 0.258 nan 8.190 nan 0.000 0.470 142 K N 0.576 120.997 120.400 0.035 0.000 2.442 142 K HA 0.261 4.581 4.320 -0.001 0.000 0.198 142 K C 1.871 178.463 176.600 -0.014 0.000 1.042 142 K CA 1.652 57.950 56.287 0.019 0.000 0.958 142 K CB -0.804 31.715 32.500 0.032 0.000 0.766 142 K HN 0.720 nan 8.250 nan 0.000 0.474 143 L N -1.689 119.539 121.223 0.008 0.000 2.616 143 L HA 0.288 4.628 4.340 -0.001 0.000 0.229 143 L C 1.647 178.465 176.870 -0.086 0.000 1.110 143 L CA 0.475 55.290 54.840 -0.041 0.000 0.884 143 L CB 0.522 42.723 42.059 0.236 0.000 1.115 143 L HN 0.509 nan 8.230 nan 0.000 0.481 144 G N 1.611 110.392 108.800 -0.033 0.000 2.157 144 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.239 144 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.239 144 G C 0.154 175.041 174.900 -0.022 0.000 0.982 144 G CA 0.315 45.391 45.100 -0.041 0.000 0.650 144 G HN 0.403 nan 8.290 nan 0.000 0.527 145 I N -2.520 118.064 120.570 0.024 0.000 3.074 145 I HA 0.888 5.058 4.170 -0.001 0.000 0.310 145 I C -0.130 176.056 176.117 0.115 0.000 1.153 145 I CA -2.147 59.130 61.300 -0.038 0.000 0.993 145 I CB 1.695 39.657 38.000 -0.063 0.000 1.237 145 I HN 0.230 nan 8.210 nan 0.000 0.443 146 Y N 0.239 120.659 120.300 0.199 0.000 2.567 146 Y HA 0.829 5.378 4.550 -0.001 0.000 0.333 146 Y C -2.915 173.041 175.900 0.094 0.000 1.106 146 Y CA -3.921 54.259 58.100 0.133 0.000 1.157 146 Y CB -0.472 38.045 38.460 0.094 0.000 1.277 146 Y HN 0.290 nan 8.280 nan 0.000 0.490 147 P HA 0.003 nan 4.420 nan 0.000 0.259 147 P C 0.476 177.669 177.300 -0.180 0.000 1.155 147 P CA 1.524 64.628 63.100 0.007 0.000 0.759 147 P CB 0.475 32.181 31.700 0.009 0.000 0.753 148 G N 1.633 110.011 108.800 -0.703 0.000 3.192 148 G HA2 0.061 4.021 3.960 -0.001 0.000 0.239 148 G HA3 0.061 4.021 3.960 -0.001 0.000 0.239 148 G C -0.051 174.299 174.900 -0.917 0.000 1.084 148 G CA 0.104 44.481 45.100 -1.204 0.000 0.784 148 G HN 0.356 nan 8.290 nan 0.000 0.540 149 F N 1.133 120.798 119.950 -0.474 0.000 2.848 149 F HA 0.472 4.999 4.527 -0.001 0.000 0.321 149 F C 1.425 176.944 175.800 -0.468 0.000 1.281 149 F CA -1.203 56.467 58.000 -0.550 0.000 1.209 149 F CB 0.776 39.231 39.000 -0.909 0.000 1.152 149 F HN 0.128 nan 8.300 nan 0.000 0.521 150 G N -0.101 108.614 108.800 -0.141 0.000 2.159 150 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.256 150 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.256 150 G C 1.486 176.332 174.900 -0.090 0.000 0.977 150 G CA 0.256 45.300 45.100 -0.094 0.000 0.652 150 G HN 0.757 nan 8.290 nan 0.000 0.531 151 G N 0.300 109.035 108.800 -0.107 0.000 2.418 151 G HA2 0.017 3.976 3.960 -0.001 0.000 0.217 151 G HA3 0.017 3.976 3.960 -0.001 0.000 0.217 151 G C 1.830 176.702 174.900 -0.047 0.000 1.158 151 G CA 2.271 47.331 45.100 -0.066 0.000 0.771 151 G HN 1.534 nan 8.290 nan 0.000 0.545 152 T N -1.701 112.815 114.554 -0.065 0.000 3.148 152 T HA 0.198 4.547 4.350 -0.001 0.000 0.253 152 T C 1.917 176.579 174.700 -0.063 0.000 1.134 152 T CA 0.960 63.004 62.100 -0.095 0.000 1.051 152 T CB 0.375 69.113 68.868 -0.217 0.000 0.959 152 T HN 0.040 nan 8.240 nan 0.000 0.525 153 V N 0.834 120.723 119.914 -0.043 0.000 2.690 153 V HA 0.195 4.314 4.120 -0.001 0.000 0.240 153 V C 2.823 178.907 176.094 -0.017 0.000 1.078 153 V CA 0.540 62.829 62.300 -0.019 0.000 1.102 153 V CB -0.226 31.594 31.823 -0.005 0.000 0.800 153 V HN 0.319 nan 8.190 nan 0.000 0.479 154 R N -0.152 120.333 120.500 -0.025 0.000 2.075 154 R HA 0.022 4.362 4.340 -0.001 0.000 0.226 154 R C 2.215 178.485 176.300 -0.051 0.000 1.114 154 R CA 0.985 57.068 56.100 -0.028 0.000 0.972 154 R CB -0.526 29.762 30.300 -0.020 0.000 0.869 154 R HN 0.297 nan 8.270 nan 0.000 0.437 155 L N 1.979 123.167 121.223 -0.058 0.000 2.012 155 L HA -0.068 4.271 4.340 -0.001 0.000 0.210 155 L C -0.981 175.824 176.870 -0.109 0.000 1.073 155 L CA 1.944 56.726 54.840 -0.096 0.000 0.748 155 L CB -0.938 41.079 42.059 -0.070 0.000 0.891 155 L HN -0.003 nan 8.230 nan 0.000 0.431 156 P HA -0.148 nan 4.420 nan 0.000 0.218 156 P C 1.188 178.453 177.300 -0.059 0.000 1.148 156 P CA 1.657 64.725 63.100 -0.053 0.000 0.822 156 P CB -0.041 31.655 31.700 -0.008 0.000 0.784 157 R N -1.564 118.905 120.500 -0.052 0.000 2.246 157 R HA 0.171 4.510 4.340 -0.001 0.000 0.199 157 R C 2.128 178.384 176.300 -0.074 0.000 0.984 157 R CA 0.454 56.523 56.100 -0.051 0.000 1.015 157 R CB -0.482 29.800 30.300 -0.030 0.000 0.930 157 R HN 0.250 nan 8.270 nan 0.000 0.475 158 L N 0.562 121.728 121.223 -0.094 0.000 2.145 158 L HA 0.060 4.400 4.340 -0.001 0.000 0.201 158 L C 2.237 179.019 176.870 -0.147 0.000 1.075 158 L CA 1.095 55.865 54.840 -0.116 0.000 0.773 158 L CB 0.001 41.987 42.059 -0.121 0.000 0.936 158 L HN 0.195 nan 8.230 nan 0.000 0.451 159 I N -3.774 116.683 120.570 -0.189 0.000 4.035 159 I HA 0.475 4.645 4.170 -0.001 0.000 0.321 159 I C 0.633 176.641 176.117 -0.182 0.000 1.289 159 I CA 0.201 61.365 61.300 -0.227 0.000 1.236 159 I CB 0.535 38.304 38.000 -0.385 0.000 1.076 159 I HN 0.131 nan 8.210 nan 0.000 0.418 160 G N 0.930 109.641 108.800 -0.149 0.000 2.640 160 G HA2 -0.094 3.866 3.960 -0.001 0.000 0.686 160 G HA3 -0.094 3.866 3.960 -0.001 0.000 0.686 160 G C -0.086 174.747 174.900 -0.111 0.000 1.229 160 G CA -0.475 44.553 45.100 -0.121 0.000 0.796 160 G HN -0.046 nan 8.290 nan 0.000 0.654 161 V N 1.556 121.411 119.914 -0.099 0.000 2.215 161 V HA -0.254 3.865 4.120 -0.001 0.000 0.249 161 V C 2.691 178.744 176.094 -0.069 0.000 1.054 161 V CA 2.853 65.104 62.300 -0.082 0.000 1.012 161 V CB -0.677 31.038 31.823 -0.179 0.000 0.639 161 V HN 0.846 nan 8.190 nan 0.000 0.448 162 D N 0.300 120.643 120.400 -0.096 0.000 2.133 162 D HA -0.200 4.439 4.640 -0.001 0.000 0.192 162 D C 1.980 178.262 176.300 -0.030 0.000 1.001 162 D CA 1.754 55.715 54.000 -0.063 0.000 0.844 162 D CB -0.510 40.241 40.800 -0.082 0.000 0.944 162 D HN 0.507 nan 8.370 nan 0.000 0.447 163 N N 0.824 119.482 118.700 -0.070 0.000 2.188 163 N HA -0.084 4.655 4.740 -0.001 0.000 0.184 163 N C 1.858 177.304 175.510 -0.107 0.000 1.018 163 N CA 1.014 54.005 53.050 -0.098 0.000 0.858 163 N CB -0.168 38.193 38.487 -0.209 0.000 0.989 163 N HN 0.152 nan 8.380 nan 0.000 0.426 164 A N 1.070 123.831 122.820 -0.099 0.000 1.872 164 A HA -0.024 4.295 4.320 -0.001 0.000 0.214 164 A C 2.527 180.159 177.584 0.081 0.000 1.187 164 A CA 0.999 53.012 52.037 -0.040 0.000 0.614 164 A CB -0.789 18.180 19.000 -0.051 0.000 0.826 164 A HN 0.066 nan 8.150 nan 0.000 0.442 165 V N 0.245 120.201 119.914 0.070 0.000 2.324 165 V HA -0.315 3.805 4.120 -0.001 0.000 0.250 165 V C 2.516 178.701 176.094 0.151 0.000 1.060 165 V CA 2.495 64.859 62.300 0.106 0.000 1.042 165 V CB -0.754 31.131 31.823 0.103 0.000 0.650 165 V HN 0.755 nan 8.190 nan 0.000 0.450 166 E N -1.273 119.031 120.200 0.173 0.000 2.047 166 E HA -0.233 4.116 4.350 -0.001 0.000 0.191 166 E C 2.076 178.845 176.600 0.282 0.000 0.987 166 E CA 1.510 58.043 56.400 0.221 0.000 0.799 166 E CB -0.164 29.669 29.700 0.221 0.000 0.752 166 E HN 0.652 nan 8.360 nan 0.000 0.449 167 W N 0.920 122.238 121.300 0.031 0.000 2.358 167 W HA -0.112 4.547 4.660 -0.001 0.000 0.303 167 W C 2.044 178.580 176.519 0.028 0.000 1.208 167 W CA 0.970 58.330 57.345 0.024 0.000 1.274 167 W CB -0.405 29.061 29.460 0.011 0.000 1.138 167 W HN 0.168 nan 8.180 nan 0.000 0.515 168 I N -0.618 120.111 120.570 0.264 0.000 2.188 168 I HA -0.222 3.948 4.170 -0.001 0.000 0.237 168 I C 2.567 178.757 176.117 0.123 0.000 1.073 168 I CA 1.321 62.718 61.300 0.162 0.000 1.359 168 I CB -1.328 36.742 38.000 0.117 0.000 1.083 168 I HN -0.133 nan 8.210 nan 0.000 0.412 169 A N 1.122 124.014 122.820 0.120 0.000 1.917 169 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 169 A C 2.504 180.135 177.584 0.079 0.000 1.182 169 A CA 2.815 54.911 52.037 0.098 0.000 0.633 169 A CB -0.963 18.102 19.000 0.108 0.000 0.819 169 A HN 0.574 nan 8.150 nan 0.000 0.448 170 S N -1.996 113.754 115.700 0.083 0.000 2.377 170 S HA 0.319 4.788 4.470 -0.001 0.000 0.223 170 S C 1.650 176.264 174.600 0.023 0.000 1.030 170 S CA 1.301 59.532 58.200 0.050 0.000 0.970 170 S CB -0.771 62.459 63.200 0.050 0.000 0.830 170 S HN 2.072 nan 8.310 nan 0.000 0.473 171 G N 2.344 111.154 108.800 0.017 0.000 2.176 171 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.252 171 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.252 171 G C -0.126 174.733 174.900 -0.068 0.000 1.024 171 G CA 0.369 45.465 45.100 -0.008 0.000 0.755 171 G HN 1.010 nan 8.290 nan 0.000 0.507 172 K N 0.132 120.459 120.400 -0.123 0.000 2.202 172 K HA 0.584 4.904 4.320 -0.001 0.000 0.264 172 K C 0.182 176.610 176.600 -0.288 0.000 1.010 172 K CA -0.598 55.587 56.287 -0.170 0.000 0.940 172 K CB 1.502 33.904 32.500 -0.162 0.000 0.983 172 K HN 0.344 nan 8.250 nan 0.000 0.475 173 E N 1.365 121.429 120.200 -0.228 0.000 2.349 173 E HA 0.149 4.499 4.350 -0.001 0.000 0.262 173 E C -0.577 175.823 176.600 -0.332 0.000 1.088 173 E CA -0.704 55.543 56.400 -0.255 0.000 0.899 173 E CB 0.750 30.365 29.700 -0.141 0.000 1.044 173 E HN 0.513 nan 8.360 nan 0.000 0.420 174 N N 1.727 120.211 118.700 -0.360 0.000 2.295 174 N HA 0.266 5.005 4.740 -0.001 0.000 0.293 174 N C -0.847 174.599 175.510 -0.107 0.000 1.040 174 N CA -0.616 52.257 53.050 -0.295 0.000 0.840 174 N CB 1.868 40.025 38.487 -0.549 0.000 1.468 174 N HN 0.225 nan 8.380 nan 0.000 0.478 175 R N 0.445 120.919 120.500 -0.043 0.000 2.637 175 R HA 0.392 4.732 4.340 -0.001 0.000 0.269 175 R C 1.483 177.806 176.300 0.038 0.000 1.089 175 R CA -0.272 55.827 56.100 -0.002 0.000 1.177 175 R CB 0.375 30.675 30.300 0.000 0.000 1.091 175 R HN 0.696 nan 8.270 nan 0.000 0.540 176 A N 1.276 124.118 122.820 0.037 0.000 1.903 176 A HA -0.308 4.012 4.320 -0.001 0.000 0.219 176 A C 2.050 179.671 177.584 0.061 0.000 1.191 176 A CA 2.157 54.224 52.037 0.050 0.000 0.638 176 A CB -0.730 18.292 19.000 0.036 0.000 0.823 176 A HN 0.938 nan 8.150 nan 0.000 0.451 177 E N -0.374 119.856 120.200 0.049 0.000 2.049 177 E HA -0.283 4.067 4.350 -0.001 0.000 0.198 177 E C 1.389 178.031 176.600 0.070 0.000 1.007 177 E CA 1.749 58.179 56.400 0.049 0.000 0.809 177 E CB -0.229 29.493 29.700 0.037 0.000 0.749 177 E HN 0.639 nan 8.360 nan 0.000 0.450 178 D N -0.074 120.379 120.400 0.090 0.000 2.149 178 D HA -0.095 4.544 4.640 -0.001 0.000 0.201 178 D C 1.860 178.291 176.300 0.219 0.000 0.972 178 D CA 1.166 55.250 54.000 0.140 0.000 0.835 178 D CB -0.264 40.621 40.800 0.142 0.000 0.966 178 D HN 0.305 nan 8.370 nan 0.000 0.476 179 A N 1.098 124.067 122.820 0.248 0.000 2.019 179 A HA -0.101 4.219 4.320 -0.001 0.000 0.219 179 A C 2.232 179.896 177.584 0.133 0.000 1.164 179 A CA 0.800 53.026 52.037 0.315 0.000 0.644 179 A CB -0.616 18.561 19.000 0.295 0.000 0.805 179 A HN 0.283 nan 8.150 nan 0.000 0.449 180 L N -0.928 120.351 121.223 0.093 0.000 2.095 180 L HA -0.048 4.292 4.340 -0.001 0.000 0.204 180 L C 2.282 179.169 176.870 0.029 0.000 1.080 180 L CA 1.622 56.491 54.840 0.049 0.000 0.759 180 L CB -0.291 41.796 42.059 0.046 0.000 0.914 180 L HN 0.233 nan 8.230 nan 0.000 0.439 181 K N -0.188 120.236 120.400 0.041 0.000 2.057 181 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 181 K C 1.805 178.402 176.600 -0.004 0.000 1.049 181 K CA 1.829 58.129 56.287 0.023 0.000 0.931 181 K CB -0.321 32.201 32.500 0.037 0.000 0.714 181 K HN 0.491 nan 8.250 nan 0.000 0.440 182 V N -2.141 117.765 119.914 -0.013 0.000 3.573 182 V HA 0.069 4.188 4.120 -0.001 0.000 0.270 182 V C 0.329 176.341 176.094 -0.138 0.000 1.221 182 V CA 0.349 62.594 62.300 -0.093 0.000 1.163 182 V CB -0.162 31.559 31.823 -0.169 0.000 0.847 182 V HN 0.241 nan 8.190 nan 0.000 0.468 183 S N -0.595 115.052 115.700 -0.088 0.000 3.695 183 S HA -0.212 4.258 4.470 -0.001 0.000 0.310 183 S C 1.237 175.760 174.600 -0.128 0.000 1.166 183 S CA 0.824 58.972 58.200 -0.088 0.000 0.882 183 S CB -1.878 61.269 63.200 -0.089 0.000 0.949 183 S HN 1.443 nan 8.310 nan 0.000 0.540 184 A N -0.431 122.297 122.820 -0.153 0.000 1.970 184 A HA 0.440 4.759 4.320 -0.001 0.000 0.216 184 A C 0.922 178.470 177.584 -0.061 0.000 1.170 184 A CA 1.331 53.258 52.037 -0.185 0.000 0.645 184 A CB 0.273 19.105 19.000 -0.281 0.000 0.816 184 A HN 0.603 nan 8.150 nan 0.000 0.447 185 V N 0.273 120.180 119.914 -0.011 0.000 2.815 185 V HA 0.279 4.398 4.120 -0.001 0.000 0.314 185 V C -0.151 175.956 176.094 0.021 0.000 1.064 185 V CA -0.564 61.746 62.300 0.018 0.000 0.952 185 V CB 1.879 33.728 31.823 0.042 0.000 1.020 185 V HN 0.399 nan 8.190 nan 0.000 0.439 186 D N 1.571 122.001 120.400 0.051 0.000 2.389 186 D HA 0.385 5.025 4.640 -0.001 0.000 0.206 186 D C 0.373 176.724 176.300 0.085 0.000 1.055 186 D CA 0.777 54.823 54.000 0.076 0.000 0.856 186 D CB 1.322 42.210 40.800 0.146 0.000 0.957 186 D HN 0.621 nan 8.370 nan 0.000 0.509 187 A N 0.563 123.427 122.820 0.074 0.000 2.512 187 A HA 0.484 4.804 4.320 -0.001 0.000 0.294 187 A C -1.253 176.359 177.584 0.047 0.000 1.054 187 A CA -0.563 51.511 52.037 0.060 0.000 0.756 187 A CB 1.430 20.470 19.000 0.066 0.000 1.293 187 A HN -0.096 nan 8.150 nan 0.000 0.395 188 V N 3.067 123.004 119.914 0.039 0.000 2.417 188 V HA 0.718 4.838 4.120 -0.001 0.000 0.291 188 V C 0.156 176.268 176.094 0.030 0.000 1.024 188 V CA -0.235 62.086 62.300 0.034 0.000 0.861 188 V CB 1.214 33.057 31.823 0.034 0.000 0.985 188 V HN 1.378 nan 8.190 nan 0.000 0.436 189 V N 1.363 121.295 119.914 0.029 0.000 3.160 189 V HA 0.781 4.901 4.120 -0.001 0.000 0.310 189 V C 0.115 176.225 176.094 0.025 0.000 1.181 189 V CA -0.729 61.587 62.300 0.026 0.000 1.047 189 V CB 1.811 33.650 31.823 0.026 0.000 1.068 189 V HN 0.832 nan 8.190 nan 0.000 0.441 190 T N -0.775 113.793 114.554 0.023 0.000 2.900 190 T HA 0.491 4.841 4.350 -0.001 0.000 0.307 190 T C 1.433 176.149 174.700 0.026 0.000 1.065 190 T CA 0.348 62.461 62.100 0.023 0.000 1.105 190 T CB 1.081 69.961 68.868 0.020 0.000 0.979 190 T HN 1.754 nan 8.240 nan 0.000 0.544 191 A N 1.799 124.636 122.820 0.028 0.000 1.917 191 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 191 A C 2.131 179.734 177.584 0.033 0.000 1.182 191 A CA 1.891 53.947 52.037 0.033 0.000 0.633 191 A CB -0.978 18.042 19.000 0.033 0.000 0.819 191 A HN 0.966 nan 8.150 nan 0.000 0.448 192 D N -0.327 120.089 120.400 0.027 0.000 2.149 192 D HA -0.107 4.532 4.640 -0.001 0.000 0.198 192 D C 1.123 177.438 176.300 0.024 0.000 0.990 192 D CA 1.308 55.323 54.000 0.024 0.000 0.839 192 D CB -0.148 40.664 40.800 0.020 0.000 0.948 192 D HN 0.529 nan 8.370 nan 0.000 0.460 193 K N 0.615 121.029 120.400 0.024 0.000 2.500 193 K HA 0.189 4.508 4.320 -0.001 0.000 0.206 193 K C 1.616 178.232 176.600 0.026 0.000 1.034 193 K CA -0.272 56.029 56.287 0.022 0.000 1.179 193 K CB 0.744 33.255 32.500 0.018 0.000 0.884 193 K HN 0.087 nan 8.250 nan 0.000 0.493 194 L N 0.358 121.601 121.223 0.033 0.000 1.988 194 L HA -0.112 4.228 4.340 -0.001 0.000 0.207 194 L C 2.184 179.079 176.870 0.042 0.000 1.071 194 L CA 1.688 56.553 54.840 0.041 0.000 0.744 194 L CB -0.586 41.505 42.059 0.052 0.000 0.893 194 L HN 0.413 nan 8.230 nan 0.000 0.433 195 G N -0.844 107.982 108.800 0.044 0.000 2.469 195 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.220 195 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.220 195 G C 1.609 176.526 174.900 0.028 0.000 1.136 195 G CA 0.872 45.997 45.100 0.042 0.000 0.759 195 G HN 0.581 nan 8.290 nan 0.000 0.562 196 A N 1.013 123.846 122.820 0.021 0.000 1.930 196 A HA 0.314 4.633 4.320 -0.001 0.000 0.217 196 A C 2.815 180.403 177.584 0.006 0.000 1.175 196 A CA 2.155 54.198 52.037 0.011 0.000 0.627 196 A CB -0.713 18.293 19.000 0.010 0.000 0.815 196 A HN 0.763 nan 8.150 nan 0.000 0.443 197 A N 0.000 122.828 122.820 0.012 0.000 1.858 197 A HA 0.164 4.483 4.320 -0.001 0.000 0.216 197 A C 2.533 180.118 177.584 0.001 0.000 1.190 197 A CA 2.131 54.173 52.037 0.008 0.000 0.617 197 A CB -1.131 17.881 19.000 0.020 0.000 0.827 197 A HN 1.074 nan 8.150 nan 0.000 0.443 198 A N -0.533 122.297 122.820 0.017 0.000 1.940 198 A HA -0.066 4.253 4.320 -0.001 0.000 0.219 198 A C 2.166 179.745 177.584 -0.009 0.000 1.176 198 A CA 1.661 53.709 52.037 0.019 0.000 0.631 198 A CB -0.519 18.513 19.000 0.053 0.000 0.814 198 A HN 0.512 nan 8.150 nan 0.000 0.446 199 L N 0.259 121.479 121.223 -0.005 0.000 2.023 199 L HA -0.141 4.199 4.340 -0.001 0.000 0.205 199 L C 2.144 178.990 176.870 -0.040 0.000 1.073 199 L CA 2.760 57.589 54.840 -0.018 0.000 0.745 199 L CB -1.099 40.956 42.059 -0.007 0.000 0.900 199 L HN 0.594 nan 8.230 nan 0.000 0.435 200 D N -0.147 120.231 120.400 -0.036 0.000 2.178 200 D HA -0.236 4.404 4.640 -0.001 0.000 0.201 200 D C 2.407 178.658 176.300 -0.080 0.000 0.980 200 D CA 1.042 55.015 54.000 -0.046 0.000 0.842 200 D CB 0.138 40.920 40.800 -0.030 0.000 0.948 200 D HN 0.425 nan 8.370 nan 0.000 0.472 201 L N 0.259 121.421 121.223 -0.101 0.000 2.023 201 L HA -0.149 4.190 4.340 -0.001 0.000 0.205 201 L C 2.629 179.339 176.870 -0.267 0.000 1.073 201 L CA 0.541 55.266 54.840 -0.191 0.000 0.745 201 L CB -0.206 41.741 42.059 -0.186 0.000 0.900 201 L HN 0.020 nan 8.230 nan 0.000 0.435 202 I N 0.419 120.870 120.570 -0.199 0.000 2.194 202 I HA -0.351 3.819 4.170 -0.001 0.000 0.246 202 I C 2.462 178.475 176.117 -0.173 0.000 1.093 202 I CA 1.678 62.861 61.300 -0.195 0.000 1.355 202 I CB -0.909 37.023 38.000 -0.113 0.000 1.046 202 I HN 0.340 nan 8.210 nan 0.000 0.413 203 K N 0.161 120.487 120.400 -0.123 0.000 2.147 203 K HA -0.134 4.185 4.320 -0.001 0.000 0.205 203 K C 2.038 178.582 176.600 -0.093 0.000 1.049 203 K CA 0.999 57.231 56.287 -0.093 0.000 0.936 203 K CB -0.122 32.340 32.500 -0.064 0.000 0.722 203 K HN 0.341 nan 8.250 nan 0.000 0.446 204 R N -0.099 120.329 120.500 -0.119 0.000 2.276 204 R HA 0.050 4.390 4.340 -0.001 0.000 0.203 204 R C 1.954 178.193 176.300 -0.101 0.000 1.017 204 R CA 0.627 56.668 56.100 -0.099 0.000 1.010 204 R CB 0.105 30.342 30.300 -0.106 0.000 0.900 204 R HN 0.136 nan 8.270 nan 0.000 0.469 205 A N 0.783 123.507 122.820 -0.161 0.000 1.956 205 A HA 0.064 4.383 4.320 -0.001 0.000 0.212 205 A C 1.968 179.525 177.584 -0.046 0.000 1.188 205 A CA 0.376 52.350 52.037 -0.105 0.000 0.675 205 A CB -0.012 18.836 19.000 -0.254 0.000 0.845 205 A HN 0.087 nan 8.150 nan 0.000 0.455 206 I N 0.877 121.383 120.570 -0.107 0.000 2.202 206 I HA -0.210 3.959 4.170 -0.001 0.000 0.242 206 I C 2.780 178.890 176.117 -0.012 0.000 1.091 206 I CA 1.561 62.814 61.300 -0.078 0.000 1.368 206 I CB -0.352 37.592 38.000 -0.092 0.000 1.058 206 I HN 0.448 nan 8.210 nan 0.000 0.410 207 S N 0.653 116.344 115.700 -0.016 0.000 2.440 207 S HA -0.056 4.414 4.470 -0.001 0.000 0.238 207 S C 1.799 176.414 174.600 0.025 0.000 1.010 207 S CA 0.959 59.159 58.200 0.001 0.000 0.972 207 S CB -0.270 62.925 63.200 -0.009 0.000 0.774 207 S HN 0.689 nan 8.310 nan 0.000 0.501 208 G N 0.723 109.552 108.800 0.048 0.000 2.179 208 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.220 208 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.220 208 G C 0.546 175.484 174.900 0.063 0.000 0.990 208 G CA 0.492 45.636 45.100 0.075 0.000 0.646 208 G HN 0.524 nan 8.290 nan 0.000 0.517 209 E N -0.297 119.927 120.200 0.040 0.000 2.038 209 E HA -0.001 4.348 4.350 -0.001 0.000 0.195 209 E C 0.922 177.557 176.600 0.059 0.000 1.000 209 E CA 0.727 57.147 56.400 0.034 0.000 0.803 209 E CB -0.087 29.619 29.700 0.010 0.000 0.750 209 E HN 0.578 nan 8.360 nan 0.000 0.448 210 L N 1.683 122.951 121.223 0.076 0.000 2.295 210 L HA 0.198 4.537 4.340 -0.001 0.000 0.285 210 L C -0.094 176.917 176.870 0.235 0.000 1.035 210 L CA -0.641 54.291 54.840 0.153 0.000 0.806 210 L CB 1.382 43.508 42.059 0.112 0.000 1.214 210 L HN -0.025 nan 8.230 nan 0.000 0.426 211 D N 2.596 123.124 120.400 0.214 0.000 2.517 211 D HA -0.007 4.632 4.640 -0.001 0.000 0.220 211 D C 0.948 177.358 176.300 0.183 0.000 1.158 211 D CA -0.222 53.864 54.000 0.143 0.000 0.992 211 D CB 0.433 41.260 40.800 0.046 0.000 1.058 211 D HN 0.493 nan 8.370 nan 0.000 0.516 212 Y N 1.730 122.175 120.300 0.241 0.000 2.384 212 Y HA -0.098 4.452 4.550 -0.001 0.000 0.289 212 Y C 1.640 177.601 175.900 0.102 0.000 1.152 212 Y CA 0.739 59.022 58.100 0.306 0.000 1.258 212 Y CB 0.024 38.715 38.460 0.385 0.000 0.979 212 Y HN -0.032 nan 8.280 nan 0.000 0.549 213 K N 1.105 121.119 120.400 -0.642 0.000 2.062 213 K HA 0.077 4.396 4.320 -0.001 0.000 0.205 213 K C 2.406 178.876 176.600 -0.216 0.000 1.051 213 K CA 1.099 57.078 56.287 -0.513 0.000 0.941 213 K CB -0.603 31.575 32.500 -0.538 0.000 0.719 213 K HN 0.484 nan 8.250 nan 0.000 0.440 214 A N 1.400 124.129 122.820 -0.151 0.000 2.014 214 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 214 A C 2.086 179.619 177.584 -0.086 0.000 1.163 214 A CA 1.334 53.316 52.037 -0.091 0.000 0.652 214 A CB -0.195 18.771 19.000 -0.056 0.000 0.808 214 A HN 0.222 nan 8.150 nan 0.000 0.449 215 K N -0.563 119.775 120.400 -0.104 0.000 2.305 215 K HA -0.003 4.317 4.320 -0.001 0.000 0.199 215 K C 2.197 178.711 176.600 -0.144 0.000 1.047 215 K CA 0.730 56.921 56.287 -0.160 0.000 0.976 215 K CB -0.080 32.225 32.500 -0.326 0.000 0.765 215 K HN 0.455 nan 8.250 nan 0.000 0.474 216 R N 0.341 120.780 120.500 -0.101 0.000 2.093 216 R HA -0.114 4.226 4.340 -0.001 0.000 0.224 216 R C 2.112 178.385 176.300 -0.046 0.000 1.101 216 R CA 1.087 57.154 56.100 -0.055 0.000 0.979 216 R CB -0.017 30.274 30.300 -0.015 0.000 0.877 216 R HN 0.045 nan 8.270 nan 0.000 0.441 217 Q N 0.917 120.683 119.800 -0.057 0.000 2.082 217 Q HA -0.145 4.194 4.340 -0.001 0.000 0.211 217 Q C -1.051 174.929 176.000 -0.034 0.000 1.002 217 Q CA 2.445 58.222 55.803 -0.043 0.000 0.868 217 Q CB -1.174 27.533 28.738 -0.051 0.000 0.931 217 Q HN 0.285 nan 8.270 nan 0.000 0.414 218 P HA -0.210 nan 4.420 nan 0.000 0.218 218 P C -0.148 177.134 177.300 -0.029 0.000 1.150 218 P CA 2.231 65.307 63.100 -0.041 0.000 0.841 218 P CB -0.198 31.468 31.700 -0.057 0.000 0.784 219 K N -1.374 119.012 120.400 -0.024 0.000 2.493 219 K HA 0.227 4.547 4.320 -0.001 0.000 0.207 219 K C 0.908 177.514 176.600 0.009 0.000 1.033 219 K CA 0.101 56.383 56.287 -0.009 0.000 1.161 219 K CB -0.115 32.379 32.500 -0.010 0.000 0.873 219 K HN 0.181 nan 8.250 nan 0.000 0.491 220 L N 0.717 121.944 121.223 0.008 0.000 2.717 220 L HA 0.151 4.491 4.340 -0.001 0.000 0.239 220 L C 0.771 177.655 176.870 0.023 0.000 1.086 220 L CA -0.150 54.701 54.840 0.018 0.000 0.897 220 L CB 0.377 42.442 42.059 0.011 0.000 1.214 220 L HN 0.328 nan 8.230 nan 0.000 0.508 221 E N 1.004 121.213 120.200 0.015 0.000 2.390 221 E HA 0.331 4.680 4.350 -0.001 0.000 0.249 221 E C -0.669 175.945 176.600 0.024 0.000 0.981 221 E CA -0.988 55.424 56.400 0.020 0.000 0.860 221 E CB 0.769 30.472 29.700 0.005 0.000 1.278 221 E HN -0.007 nan 8.360 nan 0.000 0.416 222 K N 0.517 120.929 120.400 0.020 0.000 2.234 222 K HA 0.149 4.468 4.320 -0.001 0.000 0.251 222 K C -0.020 176.578 176.600 -0.003 0.000 1.011 222 K CA -0.459 55.833 56.287 0.008 0.000 0.889 222 K CB 0.257 32.749 32.500 -0.012 0.000 1.011 222 K HN 0.381 nan 8.250 nan 0.000 0.505 223 L N 1.436 122.656 121.223 -0.004 0.000 2.452 223 L HA 0.059 4.398 4.340 -0.001 0.000 0.267 223 L C 1.364 178.220 176.870 -0.023 0.000 1.188 223 L CA -0.094 54.742 54.840 -0.008 0.000 0.821 223 L CB 0.431 42.499 42.059 0.015 0.000 1.102 223 L HN 0.693 nan 8.230 nan 0.000 0.470 224 K N 1.344 121.724 120.400 -0.034 0.000 2.487 224 K HA 0.093 4.412 4.320 -0.001 0.000 0.192 224 K C -0.192 176.380 176.600 -0.047 0.000 1.027 224 K CA -0.005 56.258 56.287 -0.040 0.000 1.054 224 K CB -0.017 32.457 32.500 -0.044 0.000 0.824 224 K HN 0.270 nan 8.250 nan 0.000 0.510 225 L N 1.737 122.928 121.223 -0.053 0.000 2.439 225 L HA 0.027 4.367 4.340 -0.001 0.000 0.269 225 L C 0.709 177.548 176.870 -0.050 0.000 1.179 225 L CA 0.194 54.992 54.840 -0.070 0.000 0.828 225 L CB 0.220 42.212 42.059 -0.112 0.000 1.106 225 L HN 0.102 nan 8.230 nan 0.000 0.467 226 N N 1.035 119.703 118.700 -0.054 0.000 2.399 226 N HA 0.100 4.839 4.740 -0.001 0.000 0.250 226 N C 0.736 176.228 175.510 -0.029 0.000 1.272 226 N CA 0.526 53.553 53.050 -0.039 0.000 0.928 226 N CB 1.492 39.955 38.487 -0.040 0.000 1.158 226 N HN 0.714 nan 8.380 nan 0.000 0.463 227 A N 2.731 125.540 122.820 -0.019 0.000 1.933 227 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 227 A C 2.067 179.651 177.584 0.000 0.000 1.175 227 A CA 1.123 53.158 52.037 -0.004 0.000 0.628 227 A CB -0.366 18.628 19.000 -0.010 0.000 0.814 227 A HN 0.683 nan 8.150 nan 0.000 0.444 228 I N 0.001 120.562 120.570 -0.015 0.000 2.233 228 I HA -0.123 4.046 4.170 -0.001 0.000 0.243 228 I C 2.156 178.250 176.117 -0.038 0.000 1.093 228 I CA 1.030 62.319 61.300 -0.019 0.000 1.380 228 I CB -1.681 36.306 38.000 -0.022 0.000 1.067 228 I HN 0.305 nan 8.210 nan 0.000 0.413 229 E N 0.902 121.067 120.200 -0.058 0.000 2.265 229 E HA -0.211 4.138 4.350 -0.001 0.000 0.196 229 E C 2.134 178.639 176.600 -0.159 0.000 0.996 229 E CA 0.917 57.259 56.400 -0.097 0.000 0.832 229 E CB -0.125 29.516 29.700 -0.098 0.000 0.756 229 E HN 0.619 nan 8.360 nan 0.000 0.491 230 Q N -0.046 119.682 119.800 -0.120 0.000 2.020 230 Q HA -0.017 4.323 4.340 -0.001 0.000 0.198 230 Q C 2.265 178.237 176.000 -0.048 0.000 0.974 230 Q CA 0.983 56.683 55.803 -0.172 0.000 0.829 230 Q CB -0.134 28.699 28.738 0.159 0.000 0.894 230 Q HN 0.215 nan 8.270 nan 0.000 0.433 231 M N 0.134 119.774 119.600 0.067 0.000 2.089 231 M HA -0.287 4.192 4.480 -0.001 0.000 0.257 231 M C 2.244 178.564 176.300 0.034 0.000 1.071 231 M CA 1.629 56.984 55.300 0.092 0.000 1.096 231 M CB -0.035 32.594 32.600 0.048 0.000 1.330 231 M HN 0.294 nan 8.290 nan 0.000 0.403 232 M N 0.172 119.752 119.600 -0.034 0.000 2.059 232 M HA -0.122 4.357 4.480 -0.001 0.000 0.259 232 M C 2.137 178.382 176.300 -0.091 0.000 1.072 232 M CA 2.388 57.656 55.300 -0.053 0.000 1.117 232 M CB -0.608 31.950 32.600 -0.070 0.000 1.320 232 M HN 0.353 nan 8.290 nan 0.000 0.408 233 A N -0.372 122.324 122.820 -0.207 0.000 1.873 233 A HA -0.191 4.129 4.320 -0.001 0.000 0.218 233 A C 2.068 179.512 177.584 -0.233 0.000 1.193 233 A CA 2.192 54.044 52.037 -0.308 0.000 0.629 233 A CB -1.496 17.172 19.000 -0.553 0.000 0.826 233 A HN 0.624 nan 8.150 nan 0.000 0.447 234 F N -0.225 119.715 119.950 -0.016 0.000 2.113 234 F HA -0.120 4.406 4.527 -0.001 0.000 0.297 234 F C 2.681 178.485 175.800 0.007 0.000 1.103 234 F CA 1.055 59.050 58.000 -0.007 0.000 1.248 234 F CB -0.206 38.784 39.000 -0.017 0.000 0.999 234 F HN 0.145 nan 8.300 nan 0.000 0.475 235 E N 0.355 120.667 120.200 0.185 0.000 2.085 235 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 235 E C 2.309 178.964 176.600 0.092 0.000 0.994 235 E CA 2.093 58.561 56.400 0.114 0.000 0.801 235 E CB -0.963 28.783 29.700 0.077 0.000 0.743 235 E HN 0.485 nan 8.360 nan 0.000 0.453 236 T N -0.470 114.122 114.554 0.062 0.000 2.708 236 T HA -0.036 4.313 4.350 -0.001 0.000 0.266 236 T C 2.149 176.916 174.700 0.111 0.000 1.037 236 T CA 1.590 63.721 62.100 0.052 0.000 1.146 236 T CB -0.366 68.494 68.868 -0.014 0.000 0.865 236 T HN 0.146 nan 8.240 nan 0.000 0.435 237 A N 2.375 125.262 122.820 0.112 0.000 1.865 237 A HA -0.108 4.212 4.320 -0.001 0.000 0.217 237 A C 2.448 180.157 177.584 0.208 0.000 1.191 237 A CA 2.004 54.150 52.037 0.182 0.000 0.623 237 A CB -0.793 18.302 19.000 0.159 0.000 0.826 237 A HN 0.592 nan 8.150 nan 0.000 0.444 238 K N -0.854 119.642 120.400 0.160 0.000 2.020 238 K HA -0.147 4.173 4.320 -0.001 0.000 0.212 238 K C 2.162 178.827 176.600 0.107 0.000 1.050 238 K CA 1.395 57.752 56.287 0.117 0.000 0.929 238 K CB -0.615 31.941 32.500 0.094 0.000 0.714 238 K HN 0.486 nan 8.250 nan 0.000 0.443 239 G N 1.100 109.971 108.800 0.119 0.000 2.480 239 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.216 239 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.216 239 G C 1.347 176.335 174.900 0.147 0.000 1.200 239 G CA 0.833 45.999 45.100 0.110 0.000 0.782 239 G HN 0.272 nan 8.290 nan 0.000 0.554 240 F N 1.532 121.499 119.950 0.028 0.000 2.087 240 F HA -0.197 4.329 4.527 -0.001 0.000 0.299 240 F C 2.654 178.474 175.800 0.033 0.000 1.100 240 F CA 1.954 59.972 58.000 0.030 0.000 1.226 240 F CB -0.528 38.490 39.000 0.030 0.000 0.983 240 F HN 0.020 nan 8.300 nan 0.000 0.479 241 V N 0.265 120.151 119.914 -0.047 0.000 2.591 241 V HA -0.155 3.965 4.120 -0.001 0.000 0.249 241 V C 2.724 178.761 176.094 -0.094 0.000 1.053 241 V CA 1.342 63.548 62.300 -0.157 0.000 1.068 241 V CB -1.506 30.310 31.823 -0.012 0.000 0.689 241 V HN 0.497 nan 8.190 nan 0.000 0.462 242 A N 0.872 123.677 122.820 -0.024 0.000 1.940 242 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 242 A C 2.326 179.892 177.584 -0.029 0.000 1.176 242 A CA 2.003 54.031 52.037 -0.014 0.000 0.631 242 A CB -0.979 18.028 19.000 0.011 0.000 0.814 242 A HN 0.539 nan 8.150 nan 0.000 0.446 243 G N -1.762 107.015 108.800 -0.039 0.000 2.623 243 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.214 243 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.214 243 G C 1.442 176.309 174.900 -0.056 0.000 1.138 243 G CA 0.858 45.938 45.100 -0.033 0.000 0.794 243 G HN 0.593 nan 8.290 nan 0.000 0.535 244 Q N -0.650 119.076 119.800 -0.123 0.000 2.352 244 Q HA 0.413 4.753 4.340 -0.001 0.000 0.212 244 Q C 2.246 178.190 176.000 -0.094 0.000 0.888 244 Q CA 0.657 56.377 55.803 -0.137 0.000 0.934 244 Q CB 0.225 28.792 28.738 -0.286 0.000 1.093 244 Q HN 0.361 nan 8.270 nan 0.000 0.523 245 A N -0.127 122.646 122.820 -0.078 0.000 2.035 245 A HA 0.487 4.806 4.320 -0.001 0.000 0.208 245 A C 1.022 178.589 177.584 -0.027 0.000 1.206 245 A CA 0.782 52.788 52.037 -0.050 0.000 0.773 245 A CB -0.140 18.834 19.000 -0.044 0.000 0.878 245 A HN 0.440 nan 8.150 nan 0.000 0.469 246 G N -0.807 107.984 108.800 -0.016 0.000 2.860 246 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.553 246 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.553 246 G C -1.258 173.646 174.900 0.008 0.000 1.439 246 G CA -0.276 44.828 45.100 0.005 0.000 0.879 246 G HN 0.101 nan 8.290 nan 0.000 0.545 247 P HA -0.127 nan 4.420 nan 0.000 0.219 247 P C 0.883 178.208 177.300 0.042 0.000 1.153 247 P CA 1.784 64.905 63.100 0.036 0.000 0.865 247 P CB -0.144 31.596 31.700 0.067 0.000 0.788 248 N N -1.209 117.503 118.700 0.020 0.000 2.807 248 N HA -0.012 4.727 4.740 -0.001 0.000 0.259 248 N C -0.648 174.886 175.510 0.040 0.000 1.149 248 N CA -0.249 52.839 53.050 0.064 0.000 1.042 248 N CB -0.966 37.443 38.487 -0.131 0.000 1.367 248 N HN 0.153 nan 8.380 nan 0.000 0.516 249 Y N 0.820 121.143 120.300 0.039 0.000 2.676 249 Y HA 0.398 4.948 4.550 -0.001 0.000 0.338 249 Y C -1.846 174.055 175.900 0.000 0.000 1.057 249 Y CA -2.283 55.819 58.100 0.004 0.000 1.314 249 Y CB -0.132 38.322 38.460 -0.010 0.000 1.164 249 Y HN 0.377 nan 8.280 nan 0.000 0.509 250 P HA 0.008 nan 4.420 nan 0.000 0.206 250 P C 1.910 179.229 177.300 0.032 0.000 1.085 250 P CA 2.355 65.457 63.100 0.004 0.000 0.746 250 P CB 0.271 31.965 31.700 -0.011 0.000 0.586 251 A N -1.144 121.716 122.820 0.068 0.000 1.984 251 A HA 0.100 4.420 4.320 -0.001 0.000 0.214 251 A C -0.467 177.207 177.584 0.150 0.000 1.173 251 A CA 0.988 53.126 52.037 0.168 0.000 0.673 251 A CB -2.140 16.974 19.000 0.190 0.000 0.830 251 A HN 0.226 nan 8.150 nan 0.000 0.453 252 P HA -0.169 nan 4.420 nan 0.000 0.211 252 P C 1.521 178.855 177.300 0.056 0.000 1.181 252 P CA 1.965 65.103 63.100 0.062 0.000 0.929 252 P CB -0.149 31.568 31.700 0.028 0.000 0.789 253 V N -0.464 119.474 119.914 0.040 0.000 2.809 253 V HA -0.136 3.983 4.120 -0.001 0.000 0.256 253 V C 2.297 178.410 176.094 0.032 0.000 1.080 253 V CA 1.539 63.858 62.300 0.031 0.000 1.102 253 V CB -1.058 30.773 31.823 0.013 0.000 0.705 253 V HN 0.120 nan 8.190 nan 0.000 0.475 254 E N 0.538 120.775 120.200 0.062 0.000 2.140 254 E HA 0.022 4.371 4.350 -0.001 0.000 0.191 254 E C 2.408 179.023 176.600 0.025 0.000 0.973 254 E CA 1.179 57.632 56.400 0.089 0.000 0.829 254 E CB -0.162 29.650 29.700 0.187 0.000 0.781 254 E HN 0.500 nan 8.360 nan 0.000 0.466 255 A N 1.479 124.295 122.820 -0.007 0.000 1.917 255 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 255 A C 2.273 179.740 177.584 -0.195 0.000 1.182 255 A CA 1.482 53.350 52.037 -0.281 0.000 0.633 255 A CB -0.762 18.166 19.000 -0.119 0.000 0.819 255 A HN 0.236 nan 8.150 nan 0.000 0.448 256 I N -0.827 119.707 120.570 -0.060 0.000 2.315 256 I HA -0.241 3.929 4.170 -0.001 0.000 0.248 256 I C 2.337 178.384 176.117 -0.117 0.000 1.117 256 I CA 1.468 62.760 61.300 -0.014 0.000 1.404 256 I CB -0.333 37.713 38.000 0.076 0.000 1.071 256 I HN 0.290 nan 8.210 nan 0.000 0.419 257 K N 0.296 120.633 120.400 -0.105 0.000 2.148 257 K HA -0.095 4.225 4.320 -0.001 0.000 0.204 257 K C 2.063 178.562 176.600 -0.169 0.000 1.050 257 K CA 1.544 57.750 56.287 -0.134 0.000 0.942 257 K CB -0.228 32.235 32.500 -0.062 0.000 0.724 257 K HN 0.288 nan 8.250 nan 0.000 0.446 258 T N 1.493 115.947 114.554 -0.166 0.000 2.857 258 T HA 0.016 4.366 4.350 -0.001 0.000 0.266 258 T C 1.865 176.460 174.700 -0.175 0.000 1.048 258 T CA 0.787 62.792 62.100 -0.158 0.000 1.139 258 T CB -0.023 68.691 68.868 -0.256 0.000 0.874 258 T HN 0.124 nan 8.240 nan 0.000 0.455 259 I N 1.008 121.451 120.570 -0.210 0.000 2.353 259 I HA -0.127 4.043 4.170 -0.001 0.000 0.248 259 I C 2.759 178.641 176.117 -0.392 0.000 1.119 259 I CA 1.082 62.288 61.300 -0.157 0.000 1.417 259 I CB -0.366 37.636 38.000 0.004 0.000 1.078 259 I HN 0.267 nan 8.210 nan 0.000 0.421 260 Q N 1.811 121.099 119.800 -0.854 0.000 2.167 260 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 260 Q C 2.395 178.004 176.000 -0.653 0.000 0.970 260 Q CA 2.302 57.164 55.803 -1.568 0.000 0.855 260 Q CB 0.037 27.938 28.738 -1.395 0.000 0.911 260 Q HN 0.469 nan 8.270 nan 0.000 0.438 261 K N 0.051 120.243 120.400 -0.346 0.000 2.098 261 K HA 0.218 4.537 4.320 -0.001 0.000 0.203 261 K C 1.783 178.360 176.600 -0.040 0.000 1.051 261 K CA 0.984 57.187 56.287 -0.140 0.000 0.957 261 K CB -0.752 31.730 32.500 -0.029 0.000 0.738 261 K HN 0.390 nan 8.250 nan 0.000 0.447 262 A N 0.647 123.490 122.820 0.037 0.000 2.276 262 A HA 0.571 4.891 4.320 -0.001 0.000 0.212 262 A C 2.353 179.957 177.584 0.033 0.000 1.230 262 A CA 0.946 53.128 52.037 0.242 0.000 0.844 262 A CB -0.754 18.358 19.000 0.186 0.000 0.860 262 A HN 0.682 nan 8.150 nan 0.000 0.486 263 A N 1.108 123.859 122.820 -0.116 0.000 1.858 263 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 263 A C 1.680 179.191 177.584 -0.122 0.000 1.190 263 A CA 1.552 53.561 52.037 -0.048 0.000 0.617 263 A CB -0.427 18.600 19.000 0.045 0.000 0.827 263 A HN 0.527 nan 8.150 nan 0.000 0.443 264 N N -0.878 117.615 118.700 -0.345 0.000 2.449 264 N HA 0.168 4.907 4.740 -0.001 0.000 0.191 264 N C -0.521 174.791 175.510 -0.329 0.000 1.161 264 N CA 0.236 53.076 53.050 -0.350 0.000 0.863 264 N CB -0.052 38.186 38.487 -0.415 0.000 0.980 264 N HN 0.514 nan 8.380 nan 0.000 0.458 265 F N -0.290 119.659 119.950 -0.001 0.000 2.457 265 F HA 0.529 5.056 4.527 -0.000 0.000 0.330 265 F C 1.570 177.369 175.800 -0.002 0.000 1.069 265 F CA -1.233 56.765 58.000 -0.004 0.000 1.009 265 F CB 0.927 39.922 39.000 -0.009 0.000 1.276 265 F HN -0.189 nan 8.300 nan 0.000 0.492 266 G N 0.107 109.045 108.800 0.230 0.000 2.532 266 G HA2 0.222 4.182 3.960 -0.001 0.000 0.291 266 G HA3 0.222 4.182 3.960 -0.001 0.000 0.291 266 G C 0.658 175.614 174.900 0.093 0.000 1.349 266 G CA -0.549 44.620 45.100 0.115 0.000 1.038 266 G HN 0.663 nan 8.290 nan 0.000 0.518 267 R N -0.441 120.094 120.500 0.059 0.000 2.113 267 R HA -0.139 4.200 4.340 -0.001 0.000 0.231 267 R C 1.926 178.247 176.300 0.036 0.000 1.129 267 R CA 2.339 58.467 56.100 0.047 0.000 0.915 267 R CB -0.875 29.452 30.300 0.044 0.000 0.837 267 R HN 0.609 nan 8.270 nan 0.000 0.430 268 D N 0.519 120.935 120.400 0.026 0.000 2.154 268 D HA -0.217 4.422 4.640 -0.001 0.000 0.190 268 D C 1.938 178.219 176.300 -0.031 0.000 1.003 268 D CA 1.709 55.712 54.000 0.006 0.000 0.849 268 D CB -0.200 40.600 40.800 0.001 0.000 0.942 268 D HN 0.375 nan 8.370 nan 0.000 0.446 269 K N 0.337 120.699 120.400 -0.064 0.000 2.155 269 K HA 0.010 4.329 4.320 -0.001 0.000 0.203 269 K C 2.158 178.675 176.600 -0.138 0.000 1.052 269 K CA 0.794 56.961 56.287 -0.200 0.000 0.948 269 K CB 0.002 32.254 32.500 -0.414 0.000 0.728 269 K HN 0.033 nan 8.250 nan 0.000 0.448 270 A N 1.379 124.206 122.820 0.011 0.000 1.930 270 A HA -0.107 4.213 4.320 -0.001 0.000 0.217 270 A C 2.066 179.663 177.584 0.022 0.000 1.175 270 A CA 1.072 53.149 52.037 0.067 0.000 0.627 270 A CB -0.520 18.534 19.000 0.089 0.000 0.815 270 A HN 0.146 nan 8.150 nan 0.000 0.443 271 L N -0.671 120.558 121.223 0.011 0.000 2.046 271 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 271 L C 2.587 179.464 176.870 0.011 0.000 1.077 271 L CA 1.667 56.515 54.840 0.013 0.000 0.747 271 L CB -0.562 41.511 42.059 0.023 0.000 0.896 271 L HN 0.481 nan 8.230 nan 0.000 0.432 272 E N -0.495 119.696 120.200 -0.015 0.000 2.077 272 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 272 E C 2.237 178.837 176.600 0.000 0.000 0.989 272 E CA 1.371 57.759 56.400 -0.020 0.000 0.800 272 E CB -0.046 29.611 29.700 -0.072 0.000 0.746 272 E HN 0.292 nan 8.360 nan 0.000 0.452 273 V N 1.338 121.250 119.914 -0.003 0.000 2.295 273 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 273 V C 2.375 178.521 176.094 0.087 0.000 1.049 273 V CA 2.044 64.364 62.300 0.034 0.000 1.024 273 V CB -0.528 31.325 31.823 0.050 0.000 0.648 273 V HN 0.298 nan 8.190 nan 0.000 0.447 274 E N 0.432 120.683 120.200 0.084 0.000 2.058 274 E HA -0.266 4.084 4.350 -0.001 0.000 0.194 274 E C 2.233 178.982 176.600 0.249 0.000 0.997 274 E CA 1.586 58.089 56.400 0.171 0.000 0.801 274 E CB -0.230 29.516 29.700 0.077 0.000 0.746 274 E HN 0.555 nan 8.360 nan 0.000 0.450 275 A N 1.251 124.145 122.820 0.123 0.000 1.877 275 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 275 A C 2.421 180.101 177.584 0.160 0.000 1.186 275 A CA 1.963 54.073 52.037 0.121 0.000 0.620 275 A CB -0.887 18.155 19.000 0.070 0.000 0.822 275 A HN 0.435 nan 8.150 nan 0.000 0.443 276 A N -0.463 122.425 122.820 0.113 0.000 1.865 276 A HA 0.068 4.388 4.320 -0.001 0.000 0.217 276 A C 2.465 180.106 177.584 0.095 0.000 1.191 276 A CA 2.114 54.200 52.037 0.081 0.000 0.623 276 A CB -1.530 17.500 19.000 0.050 0.000 0.826 276 A HN 0.820 nan 8.150 nan 0.000 0.444 277 G N -1.841 107.060 108.800 0.169 0.000 2.432 277 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.219 277 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.219 277 G C 1.413 176.351 174.900 0.064 0.000 1.135 277 G CA 1.070 46.288 45.100 0.197 0.000 0.767 277 G HN 0.457 nan 8.290 nan 0.000 0.550 278 F N 2.327 122.189 119.950 -0.146 0.000 2.216 278 F HA 0.109 4.635 4.527 -0.001 0.000 0.300 278 F C 2.671 178.322 175.800 -0.249 0.000 1.085 278 F CA 1.021 58.757 58.000 -0.441 0.000 1.326 278 F CB -0.112 38.697 39.000 -0.319 0.000 1.027 278 F HN 0.213 nan 8.300 nan 0.000 0.497 279 A N -0.124 122.642 122.820 -0.090 0.000 1.929 279 A HA -0.177 4.142 4.320 -0.001 0.000 0.216 279 A C 2.242 179.716 177.584 -0.184 0.000 1.176 279 A CA 1.485 53.439 52.037 -0.138 0.000 0.628 279 A CB -0.742 18.243 19.000 -0.024 0.000 0.816 279 A HN 0.410 nan 8.150 nan 0.000 0.444 280 K N -0.230 120.080 120.400 -0.149 0.000 2.211 280 K HA -0.034 4.285 4.320 -0.001 0.000 0.204 280 K C 1.353 177.819 176.600 -0.224 0.000 1.047 280 K CA 1.223 57.417 56.287 -0.156 0.000 0.935 280 K CB -0.240 32.194 32.500 -0.111 0.000 0.728 280 K HN 0.515 nan 8.250 nan 0.000 0.452 281 L N -0.939 120.106 121.223 -0.297 0.000 2.529 281 L HA 0.160 4.500 4.340 -0.001 0.000 0.223 281 L C 1.863 178.550 176.870 -0.304 0.000 1.113 281 L CA 0.366 55.018 54.840 -0.313 0.000 0.861 281 L CB 0.298 42.135 42.059 -0.370 0.000 1.012 281 L HN 0.146 nan 8.230 nan 0.000 0.461 282 A N -0.108 122.495 122.820 -0.360 0.000 2.324 282 A HA 0.289 4.608 4.320 -0.001 0.000 0.220 282 A C 1.406 178.889 177.584 -0.168 0.000 1.209 282 A CA 0.292 52.154 52.037 -0.291 0.000 0.918 282 A CB -0.091 18.625 19.000 -0.474 0.000 0.959 282 A HN 0.146 nan 8.150 nan 0.000 0.507 283 K N 0.258 120.567 120.400 -0.151 0.000 2.185 283 K HA 0.409 4.728 4.320 -0.001 0.000 0.245 283 K C 0.858 177.418 176.600 -0.068 0.000 1.035 283 K CA 0.664 56.893 56.287 -0.097 0.000 0.847 283 K CB -0.849 31.597 32.500 -0.089 0.000 1.056 283 K HN 0.728 nan 8.250 nan 0.000 0.518 284 T N -2.193 112.331 114.554 -0.050 0.000 3.070 284 T HA 0.316 4.666 4.350 -0.001 0.000 0.295 284 T C 0.714 175.400 174.700 -0.023 0.000 1.221 284 T CA 0.131 62.210 62.100 -0.035 0.000 0.926 284 T CB 0.004 68.853 68.868 -0.032 0.000 2.158 284 T HN 0.528 nan 8.240 nan 0.000 0.573 285 S N 1.299 116.989 115.700 -0.017 0.000 3.361 285 S HA 0.370 4.839 4.470 -0.001 0.000 0.396 285 S C 0.608 175.209 174.600 0.002 0.000 1.165 285 S CA 0.234 58.431 58.200 -0.005 0.000 1.192 285 S CB -1.138 62.058 63.200 -0.006 0.000 0.843 285 S HN 1.228 nan 8.310 nan 0.000 0.528 286 A N 3.056 125.885 122.820 0.016 0.000 2.359 286 A HA 0.468 4.787 4.320 -0.001 0.000 0.221 286 A C 0.407 178.021 177.584 0.050 0.000 2.850 286 A CA 0.170 52.222 52.037 0.025 0.000 1.649 286 A CB -0.769 18.231 19.000 0.001 0.000 0.269 286 A HN 1.393 nan 8.150 nan 0.000 0.616 287 S N -0.731 115.007 115.700 0.064 0.000 3.783 287 S HA -0.190 4.279 4.470 -0.001 0.000 0.497 287 S C -0.292 174.384 174.600 0.126 0.000 0.804 287 S CA 1.316 59.580 58.200 0.106 0.000 1.361 287 S CB -1.291 62.010 63.200 0.169 0.000 0.873 287 S HN 1.714 nan 8.310 nan 0.000 0.671 288 N N 1.776 120.531 118.700 0.091 0.000 2.604 288 N HA 0.273 5.012 4.740 -0.001 0.000 0.284 288 N C -0.674 174.873 175.510 0.062 0.000 1.716 288 N CA -0.087 53.038 53.050 0.125 0.000 0.859 288 N CB 0.054 38.547 38.487 0.010 0.000 1.403 288 N HN 0.394 nan 8.380 nan 0.000 0.501 289 C N 1.600 120.920 119.300 0.033 0.000 2.645 289 C HA 0.214 4.674 4.460 -0.001 0.000 0.451 289 C C 1.775 176.759 174.990 -0.010 0.000 1.018 289 C CA -0.404 58.605 59.018 -0.016 0.000 1.180 289 C CB -2.158 25.541 27.740 -0.069 0.000 1.563 289 C HN 0.589 nan 8.230 nan 0.000 0.551 290 L N 1.906 123.146 121.223 0.029 0.000 2.612 290 L HA 0.192 4.531 4.340 -0.001 0.000 0.230 290 L C 1.674 178.632 176.870 0.148 0.000 1.140 290 L CA 0.786 55.653 54.840 0.045 0.000 0.896 290 L CB -0.223 41.869 42.059 0.055 0.000 1.065 290 L HN 0.588 nan 8.230 nan 0.000 0.447 291 I N -1.147 119.483 120.570 0.099 0.000 2.296 291 I HA -0.047 4.122 4.170 -0.001 0.000 0.242 291 I C 2.477 178.667 176.117 0.123 0.000 1.087 291 I CA 1.055 62.442 61.300 0.145 0.000 1.393 291 I CB -0.983 37.032 38.000 0.024 0.000 1.093 291 I HN 0.279 nan 8.210 nan 0.000 0.421 292 G N 1.494 110.277 108.800 -0.029 0.000 2.462 292 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.220 292 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.220 292 G C 1.751 176.624 174.900 -0.045 0.000 1.121 292 G CA 0.530 45.573 45.100 -0.095 0.000 0.758 292 G HN 0.232 nan 8.290 nan 0.000 0.559 293 L N -0.811 120.347 121.223 -0.108 0.000 2.013 293 L HA -0.106 4.234 4.340 -0.001 0.000 0.212 293 L C 2.673 179.377 176.870 -0.277 0.000 1.073 293 L CA 1.322 55.998 54.840 -0.273 0.000 0.753 293 L CB -0.426 41.326 42.059 -0.512 0.000 0.890 293 L HN 0.234 nan 8.230 nan 0.000 0.432 294 F N -1.074 118.873 119.950 -0.006 0.000 2.367 294 F HA -0.117 4.410 4.527 -0.001 0.000 0.298 294 F C 2.268 178.089 175.800 0.035 0.000 1.094 294 F CA 0.578 58.587 58.000 0.015 0.000 1.409 294 F CB -0.349 38.660 39.000 0.015 0.000 1.064 294 F HN -0.049 nan 8.300 nan 0.000 0.528 295 L N -0.037 121.311 121.223 0.208 0.000 2.201 295 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 295 L C 1.640 178.615 176.870 0.176 0.000 1.105 295 L CA 1.396 56.352 54.840 0.195 0.000 0.775 295 L CB -0.348 41.837 42.059 0.210 0.000 0.913 295 L HN 0.247 nan 8.230 nan 0.000 0.440 296 N N -1.381 117.390 118.700 0.119 0.000 2.368 296 N HA -0.154 4.586 4.740 -0.001 0.000 0.178 296 N C 1.283 176.812 175.510 0.032 0.000 1.021 296 N CA 0.557 53.652 53.050 0.075 0.000 0.875 296 N CB 0.134 38.648 38.487 0.044 0.000 1.020 296 N HN 0.253 nan 8.380 nan 0.000 0.433 297 D N 1.491 121.900 120.400 0.014 0.000 2.097 297 D HA -0.143 4.496 4.640 -0.001 0.000 0.197 297 D C 1.346 177.669 176.300 0.040 0.000 0.984 297 D CA 1.085 55.088 54.000 0.007 0.000 0.826 297 D CB 0.196 40.964 40.800 -0.053 0.000 0.973 297 D HN 0.105 nan 8.370 nan 0.000 0.460 298 Q N 0.253 120.105 119.800 0.087 0.000 2.541 298 Q HA -0.035 4.305 4.340 -0.001 0.000 0.215 298 Q C 1.251 177.273 176.000 0.037 0.000 0.977 298 Q CA 0.536 56.387 55.803 0.081 0.000 0.934 298 Q CB 0.237 29.045 28.738 0.116 0.000 0.988 298 Q HN 0.590 nan 8.270 nan 0.000 0.521 299 E N -0.835 119.376 120.200 0.019 0.000 2.399 299 E HA 0.128 4.477 4.350 -0.001 0.000 0.205 299 E C 1.660 178.226 176.600 -0.056 0.000 0.906 299 E CA -0.087 56.304 56.400 -0.014 0.000 0.998 299 E CB 0.546 30.241 29.700 -0.008 0.000 1.002 299 E HN 0.201 nan 8.360 nan 0.000 0.501 300 L N 0.810 122.002 121.223 -0.051 0.000 2.168 300 L HA -0.010 4.329 4.340 -0.001 0.000 0.203 300 L C 2.807 179.617 176.870 -0.101 0.000 1.078 300 L CA 1.134 55.921 54.840 -0.089 0.000 0.780 300 L CB -0.347 41.670 42.059 -0.069 0.000 0.939 300 L HN 0.027 nan 8.230 nan 0.000 0.451 301 K N 0.434 120.799 120.400 -0.059 0.000 2.209 301 K HA -0.167 4.153 4.320 -0.001 0.000 0.204 301 K C 2.010 178.574 176.600 -0.061 0.000 1.048 301 K CA 1.263 57.521 56.287 -0.049 0.000 0.940 301 K CB -0.379 32.115 32.500 -0.010 0.000 0.729 301 K HN 0.194 nan 8.250 nan 0.000 0.451 302 K N -0.105 120.255 120.400 -0.066 0.000 2.128 302 K HA 0.036 4.356 4.320 -0.001 0.000 0.202 302 K C 2.205 178.723 176.600 -0.137 0.000 1.050 302 K CA 1.203 57.447 56.287 -0.072 0.000 0.966 302 K CB -0.076 32.397 32.500 -0.046 0.000 0.759 302 K HN 0.465 nan 8.250 nan 0.000 0.454 303 K N 1.209 121.491 120.400 -0.196 0.000 2.057 303 K HA -0.070 4.249 4.320 -0.001 0.000 0.207 303 K C 2.054 178.288 176.600 -0.610 0.000 1.049 303 K CA 1.280 57.344 56.287 -0.372 0.000 0.931 303 K CB -0.037 32.252 32.500 -0.352 0.000 0.714 303 K HN 0.083 nan 8.250 nan 0.000 0.440 304 A N 1.316 123.899 122.820 -0.395 0.000 1.873 304 A HA -0.173 4.147 4.320 -0.001 0.000 0.215 304 A C 2.019 179.518 177.584 -0.141 0.000 1.186 304 A CA 1.677 53.537 52.037 -0.295 0.000 0.616 304 A CB -0.473 18.438 19.000 -0.150 0.000 0.823 304 A HN 0.346 nan 8.150 nan 0.000 0.442 305 K N -0.217 120.121 120.400 -0.104 0.000 2.074 305 K HA -0.130 4.189 4.320 -0.001 0.000 0.209 305 K C 1.721 178.318 176.600 -0.005 0.000 1.048 305 K CA 1.702 57.968 56.287 -0.036 0.000 0.926 305 K CB -0.282 32.199 32.500 -0.032 0.000 0.713 305 K HN 0.243 nan 8.250 nan 0.000 0.444 306 V N 0.532 120.424 119.914 -0.037 0.000 2.490 306 V HA -0.244 3.876 4.120 -0.001 0.000 0.250 306 V C 1.896 178.101 176.094 0.185 0.000 1.061 306 V CA 1.575 63.899 62.300 0.040 0.000 1.064 306 V CB -0.614 31.216 31.823 0.011 0.000 0.670 306 V HN 0.389 nan 8.190 nan 0.000 0.461 307 Y N -0.430 119.864 120.300 -0.010 0.000 2.395 307 Y HA -0.123 4.427 4.550 -0.001 0.000 0.293 307 Y C 2.533 178.430 175.900 -0.006 0.000 1.123 307 Y CA 0.404 58.498 58.100 -0.011 0.000 1.227 307 Y CB 0.036 38.486 38.460 -0.018 0.000 1.012 307 Y HN 0.322 nan 8.280 nan 0.000 0.552 308 D N 0.418 120.911 120.400 0.155 0.000 2.269 308 D HA -0.096 4.544 4.640 -0.001 0.000 0.208 308 D C 1.202 177.540 176.300 0.063 0.000 0.963 308 D CA 1.122 55.174 54.000 0.088 0.000 0.864 308 D CB -0.035 40.797 40.800 0.054 0.000 0.936 308 D HN 0.381 nan 8.370 nan 0.000 0.505 309 K N -0.046 120.392 120.400 0.063 0.000 2.387 309 K HA 0.218 4.538 4.320 -0.001 0.000 0.198 309 K C 1.541 178.165 176.600 0.040 0.000 1.022 309 K CA -0.052 56.261 56.287 0.043 0.000 1.128 309 K CB 1.020 33.542 32.500 0.037 0.000 0.853 309 K HN 0.144 nan 8.250 nan 0.000 0.523 310 I N 0.400 120.999 120.570 0.048 0.000 3.194 310 I HA 0.066 4.235 4.170 -0.001 0.000 0.271 310 I C 0.885 177.009 176.117 0.011 0.000 1.150 310 I CA -0.197 61.119 61.300 0.027 0.000 1.440 310 I CB 0.030 38.044 38.000 0.023 0.000 1.276 310 I HN -0.068 nan 8.210 nan 0.000 0.457 311 A N 2.321 125.151 122.820 0.018 0.000 2.555 311 A HA 0.035 4.355 4.320 -0.001 0.000 0.233 311 A C 0.210 177.799 177.584 0.008 0.000 1.060 311 A CA 0.381 52.422 52.037 0.008 0.000 0.759 311 A CB -0.104 18.913 19.000 0.028 0.000 0.995 311 A HN 0.250 nan 8.150 nan 0.000 0.506 312 K N 0.735 121.133 120.400 -0.004 0.000 2.149 312 K HA 0.250 4.570 4.320 -0.001 0.000 0.245 312 K C -0.321 176.277 176.600 -0.003 0.000 1.024 312 K CA -0.004 56.279 56.287 -0.007 0.000 0.899 312 K CB 0.303 32.792 32.500 -0.018 0.000 1.038 312 K HN 0.833 nan 8.250 nan 0.000 0.496 313 D N -0.636 119.761 120.400 -0.005 0.000 2.382 313 D HA 0.101 4.741 4.640 -0.001 0.000 0.245 313 D C -0.004 176.281 176.300 -0.025 0.000 1.120 313 D CA -0.642 53.356 54.000 -0.002 0.000 0.890 313 D CB 0.720 41.520 40.800 -0.001 0.000 1.201 313 D HN 0.173 nan 8.370 nan 0.000 0.433 314 V N -0.838 119.065 119.914 -0.019 0.000 2.622 314 V HA 0.239 4.359 4.120 -0.001 0.000 0.296 314 V C 0.980 177.049 176.094 -0.042 0.000 1.174 314 V CA -0.733 61.514 62.300 -0.087 0.000 1.391 314 V CB -0.333 31.403 31.823 -0.145 0.000 1.553 314 V HN 0.481 nan 8.190 nan 0.000 0.581 315 K N 0.559 120.940 120.400 -0.031 0.000 2.211 315 K HA -0.029 4.291 4.320 -0.001 0.000 0.203 315 K C 0.867 177.448 176.600 -0.031 0.000 1.050 315 K CA 1.054 57.332 56.287 -0.016 0.000 0.945 315 K CB 0.138 32.629 32.500 -0.014 0.000 0.732 315 K HN 0.595 nan 8.250 nan 0.000 0.451 316 Q N -0.378 119.382 119.800 -0.066 0.000 2.304 316 Q HA 0.509 4.849 4.340 -0.001 0.000 0.270 316 Q C -1.743 174.174 176.000 -0.138 0.000 1.035 316 Q CA -0.416 55.336 55.803 -0.085 0.000 0.781 316 Q CB 2.100 30.790 28.738 -0.081 0.000 1.261 316 Q HN 0.166 nan 8.270 nan 0.000 0.444 317 A N 2.009 124.749 122.820 -0.133 0.000 2.437 317 A HA 1.088 5.407 4.320 -0.001 0.000 0.288 317 A C -1.397 176.091 177.584 -0.160 0.000 1.201 317 A CA -0.127 51.812 52.037 -0.163 0.000 0.795 317 A CB 1.686 20.610 19.000 -0.127 0.000 1.359 317 A HN 1.094 nan 8.150 nan 0.000 0.435 318 A N -1.142 121.602 122.820 -0.127 0.000 2.599 318 A HA 0.638 4.957 4.320 -0.001 0.000 0.294 318 A C -1.634 175.956 177.584 0.010 0.000 1.055 318 A CA 0.010 51.960 52.037 -0.146 0.000 0.683 318 A CB 0.860 19.582 19.000 -0.463 0.000 1.278 318 A HN 2.156 nan 8.150 nan 0.000 0.412 319 V N 2.363 122.307 119.914 0.050 0.000 2.735 319 V HA 0.682 4.802 4.120 -0.001 0.000 0.310 319 V C -1.132 175.046 176.094 0.139 0.000 1.061 319 V CA -0.820 61.542 62.300 0.103 0.000 0.913 319 V CB 1.691 33.553 31.823 0.064 0.000 1.005 319 V HN 0.803 nan 8.190 nan 0.000 0.428 320 L N 6.845 128.164 121.223 0.161 0.000 2.259 320 L HA 0.778 5.118 4.340 -0.001 0.000 0.288 320 L C 0.544 177.478 176.870 0.106 0.000 1.051 320 L CA 0.351 55.283 54.840 0.155 0.000 0.824 320 L CB 0.804 42.975 42.059 0.187 0.000 1.206 320 L HN 1.049 nan 8.230 nan 0.000 0.429 321 G N 2.286 111.133 108.800 0.078 0.000 3.225 321 G HA2 0.175 4.134 3.960 -0.001 0.000 0.686 321 G HA3 0.175 4.134 3.960 -0.001 0.000 0.686 321 G C -0.567 174.363 174.900 0.049 0.000 1.105 321 G CA -0.379 44.757 45.100 0.060 0.000 0.831 321 G HN 0.852 nan 8.290 nan 0.000 0.578 322 A N 1.348 124.192 122.820 0.040 0.000 2.951 322 A HA 1.193 5.512 4.320 -0.001 0.000 0.239 322 A C 1.873 179.478 177.584 0.033 0.000 1.623 322 A CA 1.307 53.364 52.037 0.034 0.000 0.868 322 A CB 0.332 19.351 19.000 0.030 0.000 1.712 322 A HN 3.003 nan 8.150 nan 0.000 0.558 323 G N -1.422 107.395 108.800 0.029 0.000 2.669 323 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.250 323 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.250 323 G C 0.862 175.776 174.900 0.023 0.000 1.247 323 G CA 0.351 45.468 45.100 0.027 0.000 0.958 323 G HN 0.859 nan 8.290 nan 0.000 0.559 324 I N 0.541 121.127 120.570 0.026 0.000 2.146 324 I HA -0.041 4.129 4.170 -0.001 0.000 0.231 324 I C 3.086 179.219 176.117 0.025 0.000 1.063 324 I CA 1.815 63.131 61.300 0.026 0.000 1.340 324 I CB -0.429 37.590 38.000 0.031 0.000 1.100 324 I HN 0.362 nan 8.210 nan 0.000 0.403 325 M N 0.818 120.436 119.600 0.029 0.000 2.229 325 M HA -0.037 4.442 4.480 -0.001 0.000 0.264 325 M C 2.334 178.630 176.300 -0.007 0.000 1.063 325 M CA 1.592 56.902 55.300 0.018 0.000 1.114 325 M CB -1.831 30.795 32.600 0.043 0.000 1.387 325 M HN 0.390 nan 8.290 nan 0.000 0.420 326 G N 0.106 108.914 108.800 0.013 0.000 2.402 326 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.216 326 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.216 326 G C 1.592 176.498 174.900 0.010 0.000 1.162 326 G CA 0.908 46.015 45.100 0.012 0.000 0.777 326 G HN 0.545 nan 8.290 nan 0.000 0.539 327 G N 0.511 109.322 108.800 0.019 0.000 2.470 327 G HA2 0.125 4.085 3.960 -0.001 0.000 0.220 327 G HA3 0.125 4.085 3.960 -0.001 0.000 0.220 327 G C 1.611 176.541 174.900 0.050 0.000 1.121 327 G CA 1.335 46.452 45.100 0.029 0.000 0.766 327 G HN 0.578 nan 8.290 nan 0.000 0.553 328 G N 1.041 109.859 108.800 0.030 0.000 2.408 328 G HA2 -0.052 3.908 3.960 -0.001 0.000 0.213 328 G HA3 -0.052 3.908 3.960 -0.001 0.000 0.213 328 G C 1.715 176.614 174.900 -0.001 0.000 1.177 328 G CA 0.531 45.667 45.100 0.060 0.000 0.802 328 G HN 0.403 nan 8.290 nan 0.000 0.533 329 I N 1.562 122.045 120.570 -0.144 0.000 2.335 329 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 329 I C 3.185 179.248 176.117 -0.090 0.000 1.129 329 I CA 0.974 62.113 61.300 -0.268 0.000 1.402 329 I CB -0.130 37.690 38.000 -0.300 0.000 1.069 329 I HN 0.246 nan 8.210 nan 0.000 0.424 330 A N 0.038 122.853 122.820 -0.009 0.000 1.897 330 A HA -0.226 4.094 4.320 -0.001 0.000 0.215 330 A C 2.264 179.879 177.584 0.053 0.000 1.181 330 A CA 1.072 53.125 52.037 0.027 0.000 0.620 330 A CB -0.830 18.194 19.000 0.040 0.000 0.821 330 A HN 0.455 nan 8.150 nan 0.000 0.443 331 Y N 0.509 120.785 120.300 -0.041 0.000 2.089 331 Y HA -0.239 4.311 4.550 -0.001 0.000 0.282 331 Y C 2.622 178.501 175.900 -0.034 0.000 1.139 331 Y CA 2.298 60.378 58.100 -0.033 0.000 1.123 331 Y CB -0.289 38.153 38.460 -0.029 0.000 0.980 331 Y HN 0.284 nan 8.280 nan 0.000 0.493 332 Q N -0.495 119.302 119.800 -0.005 0.000 2.096 332 Q HA -0.209 4.130 4.340 -0.001 0.000 0.204 332 Q C 2.608 178.522 176.000 -0.143 0.000 0.982 332 Q CA 1.790 57.535 55.803 -0.097 0.000 0.850 332 Q CB -0.871 27.848 28.738 -0.031 0.000 0.901 332 Q HN 0.464 nan 8.270 nan 0.000 0.422 333 S N -0.183 115.456 115.700 -0.101 0.000 2.423 333 S HA -0.029 4.441 4.470 -0.001 0.000 0.231 333 S C 1.782 176.352 174.600 -0.050 0.000 1.014 333 S CA 0.931 59.100 58.200 -0.052 0.000 0.965 333 S CB 0.055 63.294 63.200 0.066 0.000 0.785 333 S HN 0.410 nan 8.310 nan 0.000 0.495 334 A N 0.320 123.080 122.820 -0.099 0.000 1.935 334 A HA 0.181 4.501 4.320 -0.001 0.000 0.214 334 A C 2.217 179.702 177.584 -0.166 0.000 1.178 334 A CA 1.261 53.233 52.037 -0.109 0.000 0.640 334 A CB -0.692 18.249 19.000 -0.098 0.000 0.825 334 A HN 0.505 nan 8.150 nan 0.000 0.447 335 S N -0.032 115.496 115.700 -0.288 0.000 2.555 335 S HA 0.025 4.495 4.470 -0.001 0.000 0.230 335 S C 1.049 175.549 174.600 -0.167 0.000 0.978 335 S CA 0.668 58.693 58.200 -0.292 0.000 0.934 335 S CB 0.038 62.942 63.200 -0.493 0.000 0.766 335 S HN 0.379 nan 8.310 nan 0.000 0.533 336 K N 0.473 120.797 120.400 -0.126 0.000 2.478 336 K HA 0.302 4.622 4.320 -0.001 0.000 0.205 336 K C 0.745 177.320 176.600 -0.043 0.000 1.033 336 K CA 0.146 56.386 56.287 -0.079 0.000 1.091 336 K CB 0.525 32.976 32.500 -0.082 0.000 0.844 336 K HN 0.276 nan 8.250 nan 0.000 0.507 337 G N 1.742 110.517 108.800 -0.041 0.000 2.248 337 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.263 337 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.263 337 G C -0.282 174.625 174.900 0.011 0.000 1.082 337 G CA 0.296 45.386 45.100 -0.016 0.000 0.863 337 G HN 0.134 nan 8.290 nan 0.000 0.495 338 T N 1.075 115.641 114.554 0.020 0.000 3.089 338 T HA 0.469 4.819 4.350 -0.001 0.000 0.340 338 T C -2.658 172.064 174.700 0.037 0.000 1.008 338 T CA -0.936 61.202 62.100 0.063 0.000 1.096 338 T CB 2.587 71.562 68.868 0.179 0.000 1.024 338 T HN 0.065 nan 8.240 nan 0.000 0.477 339 P HA 0.192 nan 4.420 nan 0.000 0.260 339 P C -0.581 176.708 177.300 -0.020 0.000 1.185 339 P CA 0.016 63.108 63.100 -0.012 0.000 0.763 339 P CB 0.370 32.057 31.700 -0.023 0.000 0.776 340 I N 3.851 124.409 120.570 -0.020 0.000 2.608 340 I HA 0.360 4.529 4.170 -0.001 0.000 0.295 340 I C -1.083 175.000 176.117 -0.057 0.000 1.049 340 I CA -1.305 59.976 61.300 -0.032 0.000 1.063 340 I CB 1.438 39.447 38.000 0.015 0.000 1.248 340 I HN 0.064 nan 8.210 nan 0.000 0.424 341 L N 7.252 128.410 121.223 -0.109 0.000 2.295 341 L HA 0.463 4.802 4.340 -0.001 0.000 0.285 341 L C -0.268 176.576 176.870 -0.043 0.000 1.035 341 L CA -0.454 54.320 54.840 -0.110 0.000 0.806 341 L CB 1.489 43.395 42.059 -0.255 0.000 1.214 341 L HN 0.549 nan 8.230 nan 0.000 0.426 342 M N 4.450 124.047 119.600 -0.004 0.000 2.365 342 M HA 0.214 4.694 4.480 -0.001 0.000 0.350 342 M C -0.225 176.096 176.300 0.036 0.000 1.274 342 M CA -0.398 54.916 55.300 0.023 0.000 1.252 342 M CB 0.650 33.262 32.600 0.019 0.000 1.297 342 M HN 0.397 nan 8.290 nan 0.000 0.438 343 K N 2.642 123.087 120.400 0.075 0.000 2.174 343 K HA 0.315 4.634 4.320 -0.001 0.000 0.275 343 K C -0.905 175.698 176.600 0.005 0.000 1.015 343 K CA 0.333 56.648 56.287 0.047 0.000 0.933 343 K CB 0.972 33.549 32.500 0.128 0.000 1.025 343 K HN 0.628 nan 8.250 nan 0.000 0.463 344 D N 1.938 122.313 120.400 -0.042 0.000 2.692 344 D HA 0.168 4.808 4.640 -0.001 0.000 0.303 344 D C 0.803 177.078 176.300 -0.041 0.000 1.278 344 D CA -0.382 53.606 54.000 -0.019 0.000 0.852 344 D CB 1.116 41.919 40.800 0.004 0.000 1.375 344 D HN 0.434 nan 8.370 nan 0.000 0.453 345 I N -1.221 119.343 120.570 -0.010 0.000 3.526 345 I HA 0.260 4.429 4.170 -0.001 0.000 0.294 345 I C 0.188 176.303 176.117 -0.003 0.000 1.229 345 I CA -0.186 61.109 61.300 -0.008 0.000 1.408 345 I CB -0.042 37.967 38.000 0.014 0.000 1.127 345 I HN 0.165 nan 8.210 nan 0.000 0.439 346 N N 0.219 118.925 118.700 0.011 0.000 2.272 346 N HA 0.233 4.972 4.740 -0.001 0.000 0.305 346 N C -0.029 175.475 175.510 -0.009 0.000 1.103 346 N CA -0.766 52.292 53.050 0.013 0.000 0.791 346 N CB 1.460 39.987 38.487 0.066 0.000 1.356 346 N HN 0.013 nan 8.380 nan 0.000 0.486 347 E N -0.445 119.711 120.200 -0.073 0.000 2.160 347 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 347 E C 0.621 177.157 176.600 -0.107 0.000 0.991 347 E CA 1.127 57.456 56.400 -0.118 0.000 0.810 347 E CB -0.194 29.390 29.700 -0.193 0.000 0.742 347 E HN 0.557 nan 8.360 nan 0.000 0.466 348 H N -0.631 118.439 119.070 0.001 0.000 2.489 348 H HA -0.049 4.506 4.556 -0.001 0.000 0.293 348 H C 2.151 177.481 175.328 0.004 0.000 1.066 348 H CA 1.287 57.336 56.048 0.002 0.000 1.305 348 H CB -0.280 29.484 29.762 0.003 0.000 1.386 348 H HN 0.272 nan 8.280 nan 0.000 0.551 349 G N 0.742 109.607 108.800 0.108 0.000 2.404 349 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.214 349 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.214 349 G C 1.874 176.800 174.900 0.043 0.000 1.189 349 G CA 0.401 45.541 45.100 0.067 0.000 0.789 349 G HN 0.295 nan 8.290 nan 0.000 0.533 350 I N 0.971 121.556 120.570 0.025 0.000 2.335 350 I HA -0.162 4.008 4.170 -0.001 0.000 0.251 350 I C 2.696 178.824 176.117 0.018 0.000 1.129 350 I CA 0.961 62.270 61.300 0.014 0.000 1.402 350 I CB -0.134 37.865 38.000 -0.002 0.000 1.069 350 I HN 0.164 nan 8.210 nan 0.000 0.424 351 E N 0.690 120.905 120.200 0.024 0.000 2.051 351 E HA -0.221 4.129 4.350 -0.001 0.000 0.192 351 E C 2.195 178.815 176.600 0.033 0.000 0.991 351 E CA 1.109 57.526 56.400 0.030 0.000 0.799 351 E CB -0.370 29.361 29.700 0.051 0.000 0.748 351 E HN 0.561 nan 8.360 nan 0.000 0.449 352 Q N -0.010 119.815 119.800 0.042 0.000 2.061 352 Q HA -0.115 4.225 4.340 -0.001 0.000 0.204 352 Q C 2.333 178.346 176.000 0.021 0.000 0.984 352 Q CA 1.599 57.420 55.803 0.031 0.000 0.846 352 Q CB -0.906 27.853 28.738 0.035 0.000 0.902 352 Q HN 0.373 nan 8.270 nan 0.000 0.421 353 G N 1.397 110.211 108.800 0.023 0.000 2.480 353 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.216 353 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.216 353 G C 1.619 176.530 174.900 0.018 0.000 1.200 353 G CA 0.768 45.880 45.100 0.020 0.000 0.782 353 G HN 0.253 nan 8.290 nan 0.000 0.554 354 L N 0.810 122.044 121.223 0.019 0.000 2.079 354 L HA -0.131 4.209 4.340 -0.001 0.000 0.210 354 L C 3.421 180.298 176.870 0.012 0.000 1.081 354 L CA 1.040 55.891 54.840 0.019 0.000 0.752 354 L CB -0.488 41.580 42.059 0.016 0.000 0.896 354 L HN 0.337 nan 8.230 nan 0.000 0.433 355 A N -0.280 122.545 122.820 0.008 0.000 1.845 355 A HA -0.196 4.124 4.320 -0.001 0.000 0.215 355 A C 2.251 179.824 177.584 -0.019 0.000 1.195 355 A CA 1.484 53.521 52.037 -0.000 0.000 0.616 355 A CB -0.443 18.561 19.000 0.005 0.000 0.832 355 A HN 0.313 nan 8.150 nan 0.000 0.443 356 E N -0.126 120.059 120.200 -0.025 0.000 2.085 356 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 356 E C 2.316 178.844 176.600 -0.120 0.000 0.994 356 E CA 1.301 57.664 56.400 -0.061 0.000 0.801 356 E CB -0.561 29.112 29.700 -0.044 0.000 0.743 356 E HN 0.560 nan 8.360 nan 0.000 0.453 357 A N 1.042 123.821 122.820 -0.069 0.000 1.972 357 A HA -0.049 4.271 4.320 -0.001 0.000 0.219 357 A C 2.331 179.902 177.584 -0.021 0.000 1.169 357 A CA 1.818 53.829 52.037 -0.044 0.000 0.635 357 A CB -0.329 18.731 19.000 0.099 0.000 0.810 357 A HN 0.258 nan 8.150 nan 0.000 0.446 358 A N -0.589 122.223 122.820 -0.015 0.000 1.970 358 A HA 0.203 4.522 4.320 -0.001 0.000 0.216 358 A C 2.316 179.880 177.584 -0.033 0.000 1.170 358 A CA 2.034 54.071 52.037 -0.000 0.000 0.645 358 A CB -0.666 18.337 19.000 0.005 0.000 0.816 358 A HN 0.622 nan 8.150 nan 0.000 0.447 359 K N 0.165 120.523 120.400 -0.069 0.000 2.148 359 K HA 0.150 4.470 4.320 -0.001 0.000 0.204 359 K C 1.831 178.357 176.600 -0.124 0.000 1.050 359 K CA 1.461 57.702 56.287 -0.078 0.000 0.942 359 K CB -0.978 31.477 32.500 -0.074 0.000 0.724 359 K HN 0.524 nan 8.250 nan 0.000 0.446 360 L N -0.250 120.831 121.223 -0.236 0.000 2.095 360 L HA 0.042 4.382 4.340 -0.001 0.000 0.204 360 L C 2.706 179.503 176.870 -0.122 0.000 1.080 360 L CA 0.628 55.258 54.840 -0.350 0.000 0.759 360 L CB -0.338 41.161 42.059 -0.932 0.000 0.914 360 L HN 0.226 nan 8.230 nan 0.000 0.439 361 L N -0.686 120.541 121.223 0.007 0.000 2.017 361 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 361 L C 2.510 179.407 176.870 0.046 0.000 1.073 361 L CA 0.882 55.792 54.840 0.116 0.000 0.745 361 L CB -0.479 41.666 42.059 0.144 0.000 0.894 361 L HN 0.058 nan 8.230 nan 0.000 0.432 362 V N 0.084 120.007 119.914 0.015 0.000 2.515 362 V HA -0.172 3.948 4.120 -0.001 0.000 0.250 362 V C 2.621 178.718 176.094 0.005 0.000 1.058 362 V CA 1.743 64.049 62.300 0.009 0.000 1.064 362 V CB -1.251 30.572 31.823 0.001 0.000 0.675 362 V HN 0.578 nan 8.190 nan 0.000 0.461 363 G N 0.044 108.837 108.800 -0.010 0.000 2.469 363 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.220 363 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.220 363 G C 1.787 176.695 174.900 0.014 0.000 1.136 363 G CA 0.696 45.791 45.100 -0.007 0.000 0.759 363 G HN 0.446 nan 8.290 nan 0.000 0.562 364 R N -0.457 120.057 120.500 0.024 0.000 2.127 364 R HA 0.098 4.438 4.340 -0.001 0.000 0.217 364 R C 2.603 178.922 176.300 0.032 0.000 1.074 364 R CA 0.704 56.827 56.100 0.038 0.000 0.991 364 R CB -0.225 30.107 30.300 0.053 0.000 0.895 364 R HN 0.332 nan 8.270 nan 0.000 0.450 365 V N 1.057 120.987 119.914 0.027 0.000 2.453 365 V HA -0.154 3.966 4.120 -0.001 0.000 0.247 365 V C 0.846 176.950 176.094 0.016 0.000 1.048 365 V CA 1.572 63.885 62.300 0.021 0.000 1.049 365 V CB -0.332 31.503 31.823 0.020 0.000 0.672 365 V HN 0.145 nan 8.190 nan 0.000 0.457 366 D N -0.586 119.823 120.400 0.015 0.000 2.346 366 D HA 0.025 4.665 4.640 -0.001 0.000 0.248 366 D C 1.541 177.847 176.300 0.011 0.000 1.173 366 D CA 0.495 54.501 54.000 0.011 0.000 0.878 366 D CB 0.095 40.901 40.800 0.009 0.000 0.919 366 D HN 0.382 nan 8.370 nan 0.000 0.513 367 K N -1.912 118.496 120.400 0.013 0.000 2.645 367 K HA 0.214 4.534 4.320 -0.001 0.000 0.203 367 K C 1.064 177.670 176.600 0.010 0.000 1.653 367 K CA 0.806 57.099 56.287 0.011 0.000 1.138 367 K CB 0.682 33.195 32.500 0.021 0.000 1.515 367 K HN -0.049 nan 8.250 nan 0.000 0.592 368 G N 1.102 109.912 108.800 0.017 0.000 2.205 368 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.180 368 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.180 368 G C 0.804 175.720 174.900 0.027 0.000 1.004 368 G CA 0.225 45.336 45.100 0.018 0.000 0.670 368 G HN 0.163 nan 8.290 nan 0.000 0.496 369 R N -0.641 119.879 120.500 0.034 0.000 2.153 369 R HA 0.312 4.652 4.340 -0.001 0.000 0.218 369 R C 1.389 177.709 176.300 0.034 0.000 1.072 369 R CA 1.148 57.273 56.100 0.042 0.000 0.990 369 R CB 0.161 30.494 30.300 0.055 0.000 0.889 369 R HN 0.489 nan 8.270 nan 0.000 0.452 370 M N 0.753 120.371 119.600 0.031 0.000 2.465 370 M HA 0.247 4.727 4.480 -0.001 0.000 0.316 370 M C -1.105 175.207 176.300 0.020 0.000 1.121 370 M CA -0.368 54.947 55.300 0.025 0.000 0.934 370 M CB 2.453 35.072 32.600 0.032 0.000 1.692 370 M HN -0.166 nan 8.290 nan 0.000 0.444 371 T N 5.280 119.843 114.554 0.015 0.000 2.884 371 T HA 0.220 4.570 4.350 -0.001 0.000 0.298 371 T C -2.126 172.581 174.700 0.011 0.000 0.998 371 T CA -1.001 61.106 62.100 0.012 0.000 1.124 371 T CB 0.808 69.682 68.868 0.009 0.000 0.931 371 T HN 0.510 nan 8.240 nan 0.000 0.531 372 P HA -0.086 nan 4.420 nan 0.000 0.218 372 P C 1.313 178.618 177.300 0.008 0.000 1.148 372 P CA 0.697 63.804 63.100 0.011 0.000 0.822 372 P CB 0.069 31.775 31.700 0.009 0.000 0.784 373 A N -0.468 122.355 122.820 0.006 0.000 2.014 373 A HA -0.083 4.236 4.320 -0.001 0.000 0.218 373 A C 2.305 179.890 177.584 0.001 0.000 1.163 373 A CA 2.087 54.127 52.037 0.004 0.000 0.652 373 A CB -1.322 17.680 19.000 0.004 0.000 0.808 373 A HN 0.222 nan 8.150 nan 0.000 0.449 374 K N -0.465 119.936 120.400 0.001 0.000 2.076 374 K HA 0.148 4.468 4.320 -0.001 0.000 0.204 374 K C 2.034 178.631 176.600 -0.006 0.000 1.051 374 K CA 1.445 57.729 56.287 -0.006 0.000 0.949 374 K CB -0.811 31.685 32.500 -0.006 0.000 0.726 374 K HN 0.570 nan 8.250 nan 0.000 0.443 375 M N 0.278 119.882 119.600 0.006 0.000 2.202 375 M HA -0.096 4.384 4.480 -0.001 0.000 0.262 375 M C 2.453 178.759 176.300 0.010 0.000 1.063 375 M CA 1.741 57.050 55.300 0.015 0.000 1.097 375 M CB -0.185 32.429 32.600 0.024 0.000 1.382 375 M HN 0.433 nan 8.290 nan 0.000 0.413 376 A N 0.382 123.205 122.820 0.006 0.000 1.873 376 A HA -0.181 4.139 4.320 -0.001 0.000 0.215 376 A C 1.813 179.396 177.584 -0.002 0.000 1.186 376 A CA 1.842 53.881 52.037 0.004 0.000 0.616 376 A CB -0.754 18.248 19.000 0.003 0.000 0.823 376 A HN 0.647 nan 8.150 nan 0.000 0.442 377 E N -0.223 119.972 120.200 -0.008 0.000 2.038 377 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 377 E C 2.036 178.623 176.600 -0.022 0.000 1.000 377 E CA 1.549 57.940 56.400 -0.014 0.000 0.803 377 E CB -0.409 29.280 29.700 -0.018 0.000 0.750 377 E HN 0.394 nan 8.360 nan 0.000 0.448 378 V N 1.644 121.540 119.914 -0.030 0.000 2.255 378 V HA -0.286 3.833 4.120 -0.001 0.000 0.247 378 V C 2.408 178.490 176.094 -0.019 0.000 1.051 378 V CA 1.677 63.948 62.300 -0.048 0.000 1.018 378 V CB -0.570 31.211 31.823 -0.069 0.000 0.641 378 V HN 0.268 nan 8.190 nan 0.000 0.445 379 L N 0.340 121.565 121.223 0.003 0.000 2.083 379 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 379 L C 2.436 179.309 176.870 0.005 0.000 1.083 379 L CA 1.413 56.262 54.840 0.015 0.000 0.752 379 L CB -0.663 41.408 42.059 0.019 0.000 0.899 379 L HN 0.433 nan 8.230 nan 0.000 0.433 380 N N 0.141 118.840 118.700 -0.002 0.000 2.331 380 N HA -0.094 4.645 4.740 -0.001 0.000 0.180 380 N C 1.853 177.358 175.510 -0.009 0.000 1.019 380 N CA 1.313 54.361 53.050 -0.005 0.000 0.881 380 N CB -0.359 38.124 38.487 -0.006 0.000 0.972 380 N HN 0.345 nan 8.380 nan 0.000 0.435 381 G N 1.255 110.047 108.800 -0.014 0.000 2.432 381 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.219 381 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.219 381 G C 0.738 175.629 174.900 -0.015 0.000 1.135 381 G CA 0.119 45.208 45.100 -0.018 0.000 0.767 381 G HN 0.228 nan 8.290 nan 0.000 0.550 382 I N 1.092 121.658 120.570 -0.008 0.000 2.396 382 I HA 0.283 4.452 4.170 -0.001 0.000 0.289 382 I C -0.125 175.990 176.117 -0.005 0.000 1.056 382 I CA -0.197 61.102 61.300 -0.001 0.000 1.365 382 I CB 1.001 39.012 38.000 0.017 0.000 1.407 382 I HN -0.012 nan 8.210 nan 0.000 0.509 383 R N 6.865 127.357 120.500 -0.013 0.000 2.371 383 R HA 0.405 4.744 4.340 -0.001 0.000 0.312 383 R C -2.629 173.664 176.300 -0.011 0.000 0.980 383 R CA -1.794 54.297 56.100 -0.014 0.000 0.867 383 R CB 1.247 31.533 30.300 -0.024 0.000 1.163 383 R HN 0.281 nan 8.270 nan 0.000 0.492 384 P HA 0.046 nan 4.420 nan 0.000 0.270 384 P C -0.374 176.926 177.300 0.000 0.000 1.223 384 P CA 0.042 63.142 63.100 -0.001 0.000 0.785 384 P CB 0.885 32.584 31.700 -0.003 0.000 0.923 385 T N 0.840 115.394 114.554 -0.001 0.000 3.168 385 T HA 0.266 4.615 4.350 -0.001 0.000 0.373 385 T C -0.634 174.042 174.700 -0.042 0.000 1.681 385 T CA -0.509 61.588 62.100 -0.005 0.000 1.135 385 T CB 0.020 68.912 68.868 0.040 0.000 1.477 385 T HN 0.125 nan 8.240 nan 0.000 0.480 386 L N 2.899 124.080 121.223 -0.070 0.000 2.959 386 L HA 0.413 4.752 4.340 -0.001 0.000 0.259 386 L C 0.764 177.529 176.870 -0.176 0.000 1.185 386 L CA -0.249 54.528 54.840 -0.105 0.000 0.998 386 L CB 0.351 42.370 42.059 -0.066 0.000 1.337 386 L HN 0.723 nan 8.230 nan 0.000 0.555 387 S N -2.738 112.831 115.700 -0.218 0.000 2.851 387 S HA 0.462 4.932 4.470 -0.001 0.000 0.313 387 S C -0.391 173.912 174.600 -0.495 0.000 1.163 387 S CA -0.555 57.473 58.200 -0.286 0.000 0.850 387 S CB 1.023 64.155 63.200 -0.112 0.000 1.245 387 S HN 0.056 nan 8.310 nan 0.000 0.558 388 Y N 0.081 120.174 120.300 -0.346 0.000 2.584 388 Y HA 0.399 4.948 4.550 -0.001 0.000 0.254 388 Y C 2.141 177.971 175.900 -0.117 0.000 1.177 388 Y CA -0.312 57.462 58.100 -0.544 0.000 1.216 388 Y CB -0.030 37.869 38.460 -0.934 0.000 1.172 388 Y HN 0.860 nan 8.280 nan 0.000 0.529 389 G N 0.012 108.850 108.800 0.062 0.000 2.475 389 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.220 389 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.220 389 G C 1.298 176.292 174.900 0.156 0.000 1.125 389 G CA 1.288 46.438 45.100 0.084 0.000 0.755 389 G HN 0.278 nan 8.290 nan 0.000 0.565 390 D N -0.680 119.860 120.400 0.233 0.000 2.340 390 D HA 0.104 4.744 4.640 -0.001 0.000 0.217 390 D C 0.719 177.145 176.300 0.209 0.000 1.081 390 D CA -0.318 53.788 54.000 0.176 0.000 0.842 390 D CB 0.080 40.934 40.800 0.089 0.000 0.934 390 D HN 0.232 nan 8.370 nan 0.000 0.511 391 F N 0.622 120.614 119.950 0.071 0.000 2.795 391 F HA 0.141 4.668 4.527 -0.001 0.000 0.303 391 F C 2.271 178.120 175.800 0.082 0.000 1.186 391 F CA -0.144 57.915 58.000 0.099 0.000 1.415 391 F CB -0.363 38.754 39.000 0.194 0.000 1.106 391 F HN -0.043 nan 8.300 nan 0.000 0.558 392 G N 0.613 109.534 108.800 0.201 0.000 2.422 392 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.218 392 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.218 392 G C 1.390 176.335 174.900 0.075 0.000 1.146 392 G CA 0.832 46.009 45.100 0.128 0.000 0.769 392 G HN 0.444 nan 8.290 nan 0.000 0.547 393 N N 0.126 118.850 118.700 0.040 0.000 2.204 393 N HA 0.089 4.829 4.740 -0.001 0.000 0.219 393 N C -0.072 175.425 175.510 -0.022 0.000 1.151 393 N CA -0.144 52.911 53.050 0.008 0.000 0.867 393 N CB 0.756 39.242 38.487 -0.001 0.000 1.043 393 N HN 0.069 nan 8.380 nan 0.000 0.516 394 V N 1.976 121.870 119.914 -0.034 0.000 2.572 394 V HA 0.014 4.134 4.120 -0.001 0.000 0.291 394 V C 0.919 176.983 176.094 -0.050 0.000 1.039 394 V CA 0.085 62.334 62.300 -0.085 0.000 1.055 394 V CB 1.213 32.939 31.823 -0.161 0.000 0.969 394 V HN 0.171 nan 8.190 nan 0.000 0.482 395 D N 3.019 123.368 120.400 -0.085 0.000 2.197 395 D HA 0.131 4.771 4.640 -0.001 0.000 0.212 395 D C 0.390 176.633 176.300 -0.095 0.000 0.963 395 D CA 0.790 54.742 54.000 -0.080 0.000 0.864 395 D CB 0.804 41.544 40.800 -0.100 0.000 1.009 395 D HN 0.359 nan 8.370 nan 0.000 0.479 396 L N 1.372 122.495 121.223 -0.167 0.000 2.385 396 L HA 0.378 4.717 4.340 -0.001 0.000 0.273 396 L C -1.448 175.359 176.870 -0.106 0.000 0.990 396 L CA -0.574 54.166 54.840 -0.165 0.000 0.821 396 L CB 2.371 44.224 42.059 -0.344 0.000 1.279 396 L HN -0.319 nan 8.230 nan 0.000 0.412 397 V N 5.049 124.970 119.914 0.013 0.000 2.555 397 V HA 0.543 4.663 4.120 -0.001 0.000 0.302 397 V C -0.371 175.809 176.094 0.143 0.000 1.038 397 V CA -0.629 61.729 62.300 0.097 0.000 0.887 397 V CB 1.949 33.892 31.823 0.200 0.000 0.991 397 V HN 0.482 nan 8.190 nan 0.000 0.434 398 V N 3.203 123.216 119.914 0.166 0.000 2.555 398 V HA 0.519 4.638 4.120 -0.001 0.000 0.302 398 V C -0.126 176.087 176.094 0.198 0.000 1.038 398 V CA -0.649 61.770 62.300 0.198 0.000 0.887 398 V CB 1.941 33.902 31.823 0.229 0.000 0.991 398 V HN 0.915 nan 8.190 nan 0.000 0.434 399 E N 2.886 123.210 120.200 0.206 0.000 2.179 399 E HA 0.683 5.033 4.350 -0.001 0.000 0.275 399 E C -0.329 176.369 176.600 0.163 0.000 0.945 399 E CA -0.464 56.049 56.400 0.189 0.000 0.792 399 E CB 2.062 31.884 29.700 0.204 0.000 1.125 399 E HN 0.780 nan 8.360 nan 0.000 0.397 400 A N 4.663 127.563 122.820 0.133 0.000 2.568 400 A HA 0.249 4.568 4.320 -0.001 0.000 0.287 400 A C -0.101 177.539 177.584 0.094 0.000 0.967 400 A CA -0.343 51.761 52.037 0.111 0.000 1.004 400 A CB 0.186 19.239 19.000 0.089 0.000 1.233 400 A HN 0.326 nan 8.150 nan 0.000 0.513 401 V N 0.431 120.404 119.914 0.097 0.000 3.237 401 V HA 0.069 4.188 4.120 -0.001 0.000 0.305 401 V C 1.191 177.328 176.094 0.070 0.000 1.096 401 V CA -0.292 62.056 62.300 0.080 0.000 1.130 401 V CB 1.011 32.883 31.823 0.081 0.000 1.048 401 V HN 0.269 nan 8.190 nan 0.000 0.484 402 V N 1.724 121.672 119.914 0.057 0.000 2.928 402 V HA -0.047 4.073 4.120 -0.001 0.000 0.307 402 V C 0.882 177.006 176.094 0.051 0.000 1.105 402 V CA -0.033 62.295 62.300 0.048 0.000 1.223 402 V CB -0.093 31.751 31.823 0.036 0.000 0.930 402 V HN 0.831 nan 8.190 nan 0.000 0.499 403 E N 4.463 124.693 120.200 0.049 0.000 2.037 403 E HA 0.038 4.387 4.350 -0.001 0.000 0.253 403 E C -0.107 176.520 176.600 0.045 0.000 1.265 403 E CA 0.361 56.793 56.400 0.054 0.000 0.972 403 E CB -0.302 29.438 29.700 0.066 0.000 1.054 403 E HN 0.604 nan 8.360 nan 0.000 0.432 404 N N 4.102 122.829 118.700 0.044 0.000 2.697 404 N HA 0.113 4.853 4.740 -0.001 0.000 0.271 404 N C -2.470 173.059 175.510 0.032 0.000 1.149 404 N CA -1.379 51.692 53.050 0.035 0.000 0.939 404 N CB 1.750 40.253 38.487 0.028 0.000 1.534 404 N HN -0.119 nan 8.380 nan 0.000 0.556 405 P HA -0.175 nan 4.420 nan 0.000 0.216 405 P C 1.176 178.481 177.300 0.009 0.000 1.157 405 P CA 1.574 64.686 63.100 0.020 0.000 0.880 405 P CB 0.524 32.233 31.700 0.014 0.000 0.791 406 K N -0.240 120.164 120.400 0.007 0.000 1.985 406 K HA -0.112 4.208 4.320 -0.001 0.000 0.210 406 K C 1.903 178.504 176.600 0.001 0.000 1.047 406 K CA 1.508 57.795 56.287 -0.001 0.000 0.932 406 K CB -1.286 31.215 32.500 0.001 0.000 0.716 406 K HN -0.156 nan 8.250 nan 0.000 0.439 407 V N 1.514 121.435 119.914 0.012 0.000 2.252 407 V HA -0.338 3.782 4.120 -0.001 0.000 0.249 407 V C 2.183 178.290 176.094 0.022 0.000 1.056 407 V CA 2.310 64.621 62.300 0.019 0.000 1.022 407 V CB -0.529 31.311 31.823 0.027 0.000 0.641 407 V HN 0.370 nan 8.190 nan 0.000 0.445 408 K N -0.450 119.967 120.400 0.029 0.000 2.113 408 K HA -0.266 4.054 4.320 -0.001 0.000 0.208 408 K C 2.300 178.901 176.600 0.001 0.000 1.047 408 K CA 1.851 58.160 56.287 0.038 0.000 0.928 408 K CB -0.255 32.280 32.500 0.058 0.000 0.716 408 K HN 0.570 nan 8.250 nan 0.000 0.446 409 Q N -0.093 119.692 119.800 -0.025 0.000 2.079 409 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 409 Q C 2.219 178.181 176.000 -0.062 0.000 0.974 409 Q CA 1.305 57.066 55.803 -0.069 0.000 0.840 409 Q CB -0.104 28.596 28.738 -0.064 0.000 0.898 409 Q HN 0.358 nan 8.270 nan 0.000 0.430 410 A N 0.287 123.087 122.820 -0.033 0.000 1.873 410 A HA -0.139 4.181 4.320 -0.001 0.000 0.215 410 A C 2.313 179.884 177.584 -0.022 0.000 1.186 410 A CA 1.398 53.417 52.037 -0.029 0.000 0.616 410 A CB -0.721 18.272 19.000 -0.011 0.000 0.823 410 A HN 0.207 nan 8.150 nan 0.000 0.442 411 V N 0.222 120.141 119.914 0.008 0.000 2.295 411 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 411 V C 2.579 178.688 176.094 0.026 0.000 1.049 411 V CA 1.974 64.301 62.300 0.044 0.000 1.024 411 V CB -0.954 30.917 31.823 0.081 0.000 0.648 411 V HN 0.550 nan 8.190 nan 0.000 0.447 412 L N 0.285 121.510 121.223 0.003 0.000 1.989 412 L HA -0.193 4.147 4.340 -0.001 0.000 0.211 412 L C 2.763 179.588 176.870 -0.075 0.000 1.071 412 L CA 1.810 56.637 54.840 -0.022 0.000 0.749 412 L CB -0.851 41.142 42.059 -0.109 0.000 0.890 412 L HN 0.369 nan 8.230 nan 0.000 0.431 413 A N -0.547 122.208 122.820 -0.108 0.000 1.972 413 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 413 A C 2.245 179.739 177.584 -0.151 0.000 1.169 413 A CA 1.868 53.829 52.037 -0.126 0.000 0.635 413 A CB -0.501 18.430 19.000 -0.116 0.000 0.810 413 A HN 0.523 nan 8.150 nan 0.000 0.446 414 E N -0.088 120.026 120.200 -0.144 0.000 2.028 414 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 414 E C 1.788 178.170 176.600 -0.362 0.000 0.988 414 E CA 1.614 57.880 56.400 -0.224 0.000 0.799 414 E CB -0.124 29.484 29.700 -0.153 0.000 0.755 414 E HN 0.330 nan 8.360 nan 0.000 0.447 415 V N 1.421 121.178 119.914 -0.262 0.000 2.594 415 V HA -0.208 3.911 4.120 -0.001 0.000 0.253 415 V C 2.317 178.335 176.094 -0.127 0.000 1.069 415 V CA 2.004 64.173 62.300 -0.219 0.000 1.082 415 V CB -0.653 31.230 31.823 0.101 0.000 0.680 415 V HN 0.356 nan 8.190 nan 0.000 0.469 416 E N 0.701 120.828 120.200 -0.122 0.000 2.333 416 E HA -0.196 4.154 4.350 -0.001 0.000 0.198 416 E C 1.271 177.772 176.600 -0.166 0.000 1.007 416 E CA 0.856 57.201 56.400 -0.092 0.000 0.845 416 E CB -0.003 29.645 29.700 -0.087 0.000 0.766 416 E HN 0.629 nan 8.360 nan 0.000 0.507 417 N N -0.257 118.236 118.700 -0.346 0.000 2.251 417 N HA 0.009 4.748 4.740 -0.001 0.000 0.217 417 N C -0.157 174.962 175.510 -0.652 0.000 1.124 417 N CA 0.246 53.012 53.050 -0.474 0.000 0.843 417 N CB 0.633 38.780 38.487 -0.567 0.000 1.024 417 N HN 0.248 nan 8.380 nan 0.000 0.501 418 H N -0.876 118.118 119.070 -0.128 0.000 3.182 418 H HA 0.208 4.764 4.556 -0.001 0.000 0.254 418 H C 0.285 175.657 175.328 0.074 0.000 1.197 418 H CA -0.153 55.851 56.048 -0.074 0.000 1.061 418 H CB 0.745 30.371 29.762 -0.226 0.000 1.722 418 H HN -0.050 nan 8.280 nan 0.000 0.662 419 V N -2.131 117.868 119.914 0.143 0.000 3.141 419 V HA 0.555 4.675 4.120 -0.001 0.000 0.312 419 V C 0.436 176.579 176.094 0.081 0.000 1.157 419 V CA -1.398 61.000 62.300 0.162 0.000 1.041 419 V CB 2.616 34.555 31.823 0.194 0.000 1.071 419 V HN -0.054 nan 8.190 nan 0.000 0.441 420 R N 0.838 121.380 120.500 0.070 0.000 2.811 420 R HA 0.100 4.440 4.340 -0.001 0.000 0.265 420 R C 1.486 177.803 176.300 0.027 0.000 1.026 420 R CA 0.680 56.803 56.100 0.039 0.000 1.142 420 R CB 0.515 30.833 30.300 0.030 0.000 1.027 420 R HN 1.019 nan 8.270 nan 0.000 0.465 421 E N 0.925 121.134 120.200 0.014 0.000 2.358 421 E HA -0.146 4.204 4.350 -0.001 0.000 0.195 421 E C 0.394 177.000 176.600 0.010 0.000 1.010 421 E CA 0.993 57.397 56.400 0.007 0.000 0.856 421 E CB 0.061 29.760 29.700 -0.001 0.000 0.795 421 E HN 0.625 nan 8.360 nan 0.000 0.504 422 D N 1.429 121.835 120.400 0.010 0.000 2.325 422 D HA 0.098 4.737 4.640 -0.001 0.000 0.225 422 D C 0.236 176.540 176.300 0.006 0.000 1.096 422 D CA -0.195 53.808 54.000 0.006 0.000 0.844 422 D CB 0.217 41.018 40.800 0.001 0.000 0.925 422 D HN 0.195 nan 8.370 nan 0.000 0.513 423 A N 0.473 123.303 122.820 0.016 0.000 2.340 423 A HA 0.487 4.806 4.320 -0.001 0.000 0.268 423 A C -0.173 177.426 177.584 0.026 0.000 1.100 423 A CA -0.508 51.540 52.037 0.018 0.000 0.803 423 A CB 0.378 19.401 19.000 0.039 0.000 1.043 423 A HN 0.167 nan 8.150 nan 0.000 0.488 424 I N 1.415 121.992 120.570 0.012 0.000 2.353 424 I HA 0.346 4.516 4.170 -0.001 0.000 0.293 424 I C -0.087 176.065 176.117 0.058 0.000 0.992 424 I CA 0.313 61.626 61.300 0.022 0.000 1.268 424 I CB 1.198 39.187 38.000 -0.018 0.000 1.387 424 I HN 0.465 nan 8.210 nan 0.000 0.478 425 L N 5.717 127.012 121.223 0.120 0.000 2.334 425 L HA 0.923 5.263 4.340 -0.001 0.000 0.276 425 L C -0.194 176.776 176.870 0.167 0.000 1.014 425 L CA -0.665 54.300 54.840 0.209 0.000 0.815 425 L CB 1.713 43.965 42.059 0.321 0.000 1.268 425 L HN 0.743 nan 8.230 nan 0.000 0.428 426 A N 1.644 124.557 122.820 0.155 0.000 2.520 426 A HA 0.652 4.972 4.320 -0.001 0.000 0.298 426 A C -0.994 176.673 177.584 0.138 0.000 1.051 426 A CA -0.418 51.613 52.037 -0.010 0.000 0.690 426 A CB 2.103 21.093 19.000 -0.015 0.000 1.281 426 A HN 0.520 nan 8.150 nan 0.000 0.402 427 S N 0.057 115.805 115.700 0.080 0.000 2.608 427 S HA 0.445 4.915 4.470 -0.001 0.000 0.291 427 S C 0.504 175.182 174.600 0.130 0.000 1.146 427 S CA -0.390 57.927 58.200 0.195 0.000 1.043 427 S CB 1.084 64.472 63.200 0.314 0.000 1.037 427 S HN 0.804 nan 8.310 nan 0.000 0.520 428 N N 1.740 120.543 118.700 0.171 0.000 2.203 428 N HA 0.116 4.856 4.740 -0.001 0.000 0.207 428 N C 0.403 175.986 175.510 0.122 0.000 1.130 428 N CA -0.009 53.160 53.050 0.198 0.000 0.861 428 N CB 0.341 38.989 38.487 0.268 0.000 1.005 428 N HN 0.593 nan 8.380 nan 0.000 0.507 429 T N -1.327 113.281 114.554 0.090 0.000 2.788 429 T HA 0.021 4.371 4.350 -0.001 0.000 0.333 429 T C 1.214 175.850 174.700 -0.107 0.000 1.090 429 T CA 0.896 63.021 62.100 0.042 0.000 1.094 429 T CB 0.412 69.333 68.868 0.088 0.000 0.999 429 T HN 0.376 nan 8.240 nan 0.000 0.549 430 S N -0.035 115.571 115.700 -0.157 0.000 2.631 430 S HA 0.114 4.584 4.470 -0.001 0.000 0.246 430 S C 1.388 175.753 174.600 -0.392 0.000 1.068 430 S CA 0.437 58.417 58.200 -0.366 0.000 0.995 430 S CB 0.094 63.200 63.200 -0.157 0.000 0.944 430 S HN 0.901 nan 8.310 nan 0.000 0.529 431 T N -0.008 114.413 114.554 -0.221 0.000 3.145 431 T HA 0.544 4.894 4.350 -0.001 0.000 0.281 431 T C 0.039 174.645 174.700 -0.157 0.000 1.003 431 T CA -0.410 61.550 62.100 -0.232 0.000 0.901 431 T CB -0.351 68.431 68.868 -0.144 0.000 1.112 431 T HN 0.350 nan 8.240 nan 0.000 0.535 432 I N 1.619 122.134 120.570 -0.092 0.000 2.509 432 I HA 0.441 4.611 4.170 -0.001 0.000 0.293 432 I C 0.196 176.351 176.117 0.062 0.000 1.020 432 I CA -1.234 60.062 61.300 -0.007 0.000 1.088 432 I CB 2.171 40.195 38.000 0.040 0.000 1.267 432 I HN 0.081 nan 8.210 nan 0.000 0.430 433 S N 4.160 119.898 115.700 0.064 0.000 2.525 433 S HA 0.132 4.601 4.470 -0.001 0.000 0.285 433 S C 1.058 175.765 174.600 0.179 0.000 1.283 433 S CA -0.289 57.985 58.200 0.123 0.000 1.072 433 S CB 0.283 63.526 63.200 0.072 0.000 0.867 433 S HN 0.438 nan 8.310 nan 0.000 0.492 434 I N 5.241 125.948 120.570 0.228 0.000 2.315 434 I HA -0.082 4.087 4.170 -0.001 0.000 0.248 434 I C 2.519 178.821 176.117 0.308 0.000 1.117 434 I CA 1.362 62.830 61.300 0.279 0.000 1.404 434 I CB -0.639 37.418 38.000 0.094 0.000 1.071 434 I HN 0.635 nan 8.210 nan 0.000 0.419 435 S N 0.068 115.876 115.700 0.180 0.000 2.474 435 S HA -0.041 4.429 4.470 -0.001 0.000 0.235 435 S C 1.918 176.576 174.600 0.097 0.000 0.997 435 S CA 0.728 59.008 58.200 0.134 0.000 0.949 435 S CB -0.298 62.953 63.200 0.086 0.000 0.766 435 S HN 0.443 nan 8.310 nan 0.000 0.517 436 L N 0.865 122.144 121.223 0.092 0.000 2.102 436 L HA 0.124 4.464 4.340 -0.001 0.000 0.202 436 L C 1.853 178.731 176.870 0.012 0.000 1.076 436 L CA 0.914 55.780 54.840 0.043 0.000 0.761 436 L CB -0.183 41.899 42.059 0.038 0.000 0.921 436 L HN 0.249 nan 8.230 nan 0.000 0.444 437 L N 0.078 121.322 121.223 0.035 0.000 2.083 437 L HA -0.181 4.159 4.340 -0.001 0.000 0.209 437 L C 2.828 179.509 176.870 -0.314 0.000 1.083 437 L CA 1.075 55.859 54.840 -0.094 0.000 0.752 437 L CB -0.964 41.089 42.059 -0.010 0.000 0.899 437 L HN 0.350 nan 8.230 nan 0.000 0.433 438 A N 0.282 122.956 122.820 -0.243 0.000 2.024 438 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 438 A C 2.286 179.770 177.584 -0.166 0.000 1.164 438 A CA 1.609 53.478 52.037 -0.279 0.000 0.643 438 A CB -0.382 18.696 19.000 0.129 0.000 0.806 438 A HN 0.369 nan 8.150 nan 0.000 0.451 439 K N -0.305 120.037 120.400 -0.097 0.000 2.209 439 K HA -0.079 4.241 4.320 -0.001 0.000 0.204 439 K C 2.213 178.758 176.600 -0.092 0.000 1.048 439 K CA 0.997 57.243 56.287 -0.069 0.000 0.940 439 K CB -0.293 32.182 32.500 -0.042 0.000 0.729 439 K HN 0.487 nan 8.250 nan 0.000 0.451 440 A N 1.617 124.358 122.820 -0.131 0.000 1.873 440 A HA -0.028 4.292 4.320 -0.001 0.000 0.215 440 A C 1.184 178.688 177.584 -0.134 0.000 1.186 440 A CA 0.634 52.597 52.037 -0.124 0.000 0.616 440 A CB -0.444 18.473 19.000 -0.138 0.000 0.823 440 A HN 0.111 nan 8.150 nan 0.000 0.442 441 L N -1.603 119.509 121.223 -0.184 0.000 2.479 441 L HA 0.247 4.586 4.340 -0.001 0.000 0.270 441 L C 1.830 178.641 176.870 -0.098 0.000 1.236 441 L CA 0.329 55.075 54.840 -0.156 0.000 0.823 441 L CB 0.291 42.228 42.059 -0.203 0.000 1.098 441 L HN 0.354 nan 8.230 nan 0.000 0.500 442 K N 0.709 121.064 120.400 -0.076 0.000 2.358 442 K HA 0.373 4.693 4.320 -0.001 0.000 0.200 442 K C 0.900 177.480 176.600 -0.034 0.000 1.030 442 K CA 0.638 56.893 56.287 -0.054 0.000 1.097 442 K CB 0.188 32.654 32.500 -0.056 0.000 0.862 442 K HN 0.688 nan 8.250 nan 0.000 0.534 443 R N 1.027 121.512 120.500 -0.026 0.000 2.655 443 R HA 0.456 4.796 4.340 -0.001 0.000 0.261 443 R C -2.339 173.982 176.300 0.035 0.000 1.624 443 R CA -0.572 55.529 56.100 0.002 0.000 1.655 443 R CB -0.287 30.016 30.300 0.005 0.000 1.356 443 R HN 0.191 nan 8.270 nan 0.000 0.684 444 P HA -0.176 nan 4.420 nan 0.000 0.219 444 P C 0.610 177.980 177.300 0.117 0.000 1.146 444 P CA 1.322 64.478 63.100 0.093 0.000 0.808 444 P CB 0.445 32.179 31.700 0.058 0.000 0.779 445 E N -0.566 119.672 120.200 0.063 0.000 2.160 445 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 445 E C 1.340 177.966 176.600 0.044 0.000 0.991 445 E CA 1.055 57.479 56.400 0.041 0.000 0.810 445 E CB -0.942 28.769 29.700 0.018 0.000 0.742 445 E HN 0.369 nan 8.360 nan 0.000 0.466 446 N N -0.289 118.452 118.700 0.069 0.000 2.336 446 N HA 0.016 4.756 4.740 -0.001 0.000 0.189 446 N C -0.514 175.066 175.510 0.115 0.000 1.113 446 N CA 0.065 53.154 53.050 0.065 0.000 0.858 446 N CB 0.213 38.735 38.487 0.059 0.000 0.970 446 N HN 0.107 nan 8.380 nan 0.000 0.471 447 F N 2.468 122.412 119.950 -0.010 0.000 2.410 447 F HA 0.391 4.917 4.527 -0.001 0.000 0.349 447 F C 0.324 176.117 175.800 -0.011 0.000 1.117 447 F CA -0.877 57.121 58.000 -0.003 0.000 1.104 447 F CB 0.736 39.737 39.000 0.001 0.000 1.122 447 F HN -0.217 nan 8.300 nan 0.000 0.483 448 V N 2.269 121.698 119.914 -0.809 0.000 3.069 448 V HA 0.966 5.085 4.120 -0.001 0.000 0.312 448 V C -0.472 175.127 176.094 -0.826 0.000 1.369 448 V CA -0.672 61.239 62.300 -0.647 0.000 1.047 448 V CB 1.150 32.784 31.823 -0.315 0.000 1.098 448 V HN 0.976 nan 8.190 nan 0.000 0.473 449 G N 0.408 108.924 108.800 -0.475 0.000 2.544 449 G HA2 0.642 4.601 3.960 -0.001 0.000 0.313 449 G HA3 0.642 4.601 3.960 -0.001 0.000 0.313 449 G C -1.048 173.692 174.900 -0.266 0.000 1.316 449 G CA -0.556 44.317 45.100 -0.378 0.000 0.944 449 G HN 0.936 nan 8.290 nan 0.000 0.489 450 M N 3.611 123.114 119.600 -0.161 0.000 2.027 450 M HA 0.323 4.803 4.480 -0.001 0.000 0.329 450 M C -0.961 175.277 176.300 -0.103 0.000 0.971 450 M CA -0.645 54.566 55.300 -0.147 0.000 0.933 450 M CB 0.501 33.096 32.600 -0.008 0.000 1.392 450 M HN 0.704 nan 8.290 nan 0.000 0.394 451 H N 4.300 123.176 119.070 -0.323 0.000 2.594 451 H HA 0.378 4.933 4.556 -0.001 0.000 0.304 451 H C -1.521 173.550 175.328 -0.429 0.000 1.068 451 H CA -0.448 55.435 56.048 -0.274 0.000 1.308 451 H CB 0.756 30.384 29.762 -0.223 0.000 1.409 451 H HN 0.567 nan 8.280 nan 0.000 0.460 452 F N 3.888 123.752 119.950 -0.143 0.000 2.509 452 F HA 0.356 4.883 4.527 -0.001 0.000 0.334 452 F C -0.585 174.909 175.800 -0.511 0.000 1.060 452 F CA -0.679 57.216 58.000 -0.175 0.000 0.997 452 F CB 1.083 40.077 39.000 -0.009 0.000 1.271 452 F HN 0.407 nan 8.300 nan 0.000 0.488 453 F N 0.713 120.718 119.950 0.090 0.000 2.507 453 F HA 0.270 4.796 4.527 -0.001 0.000 0.325 453 F C 0.164 175.987 175.800 0.039 0.000 1.116 453 F CA -1.187 56.819 58.000 0.010 0.000 0.930 453 F CB 1.051 40.014 39.000 -0.060 0.000 1.146 453 F HN 0.330 nan 8.300 nan 0.000 0.447 454 N N 3.978 122.782 118.700 0.174 0.000 2.468 454 N HA 0.150 4.889 4.740 -0.001 0.000 0.265 454 N C -2.731 172.803 175.510 0.040 0.000 1.199 454 N CA -0.798 52.303 53.050 0.084 0.000 0.928 454 N CB 0.807 39.338 38.487 0.074 0.000 1.059 454 N HN 0.256 nan 8.380 nan 0.000 0.467 455 P HA 0.135 nan 4.420 nan 0.000 0.284 455 P C 1.002 178.225 177.300 -0.129 0.000 1.253 455 P CA -0.612 62.397 63.100 -0.151 0.000 0.800 455 P CB 1.147 32.610 31.700 -0.394 0.000 0.961 456 V N 1.916 121.809 119.914 -0.035 0.000 2.453 456 V HA -0.272 3.847 4.120 -0.001 0.000 0.252 456 V C 1.892 178.033 176.094 0.079 0.000 1.068 456 V CA 2.467 64.792 62.300 0.042 0.000 1.070 456 V CB -1.787 30.019 31.823 -0.029 0.000 0.664 456 V HN 0.772 nan 8.190 nan 0.000 0.461 457 H N -3.111 116.013 119.070 0.089 0.000 2.551 457 H HA 0.191 4.746 4.556 -0.001 0.000 0.266 457 H C 1.839 177.225 175.328 0.098 0.000 0.964 457 H CA 0.560 56.681 56.048 0.122 0.000 1.180 457 H CB -0.101 29.750 29.762 0.149 0.000 1.408 457 H HN 0.218 nan 8.280 nan 0.000 0.563 458 M N 0.217 119.654 119.600 -0.272 0.000 2.556 458 M HA 0.211 4.690 4.480 -0.001 0.000 0.259 458 M C 0.265 176.556 176.300 -0.015 0.000 1.175 458 M CA 0.442 55.668 55.300 -0.124 0.000 1.202 458 M CB -0.072 32.397 32.600 -0.219 0.000 1.298 458 M HN 0.246 nan 8.290 nan 0.000 0.492 459 M N 1.412 121.013 119.600 0.001 0.000 2.219 459 M HA 0.161 4.641 4.480 -0.001 0.000 0.353 459 M C -1.616 174.734 176.300 0.082 0.000 1.304 459 M CA -2.231 53.095 55.300 0.043 0.000 1.115 459 M CB -0.734 31.914 32.600 0.080 0.000 1.664 459 M HN -0.134 nan 8.290 nan 0.000 0.459 460 P HA 0.012 nan 4.420 nan 0.000 0.214 460 P C 0.351 177.662 177.300 0.017 0.000 1.162 460 P CA 0.268 63.410 63.100 0.070 0.000 0.871 460 P CB 0.154 31.955 31.700 0.169 0.000 0.783 461 L N 0.290 121.517 121.223 0.007 0.000 2.485 461 L HA 0.102 4.441 4.340 -0.001 0.000 0.275 461 L C -0.527 176.376 176.870 0.056 0.000 1.207 461 L CA 0.443 55.261 54.840 -0.037 0.000 0.855 461 L CB 0.184 42.176 42.059 -0.112 0.000 1.114 461 L HN -0.246 nan 8.230 nan 0.000 0.485 462 V N 4.994 124.885 119.914 -0.038 0.000 2.509 462 V HA 0.275 4.394 4.120 -0.001 0.000 0.289 462 V C -0.486 175.527 176.094 -0.135 0.000 1.026 462 V CA -0.832 61.360 62.300 -0.179 0.000 0.872 462 V CB 1.370 32.934 31.823 -0.432 0.000 1.017 462 V HN 0.783 nan 8.190 nan 0.000 0.436 463 E N 2.990 123.169 120.200 -0.035 0.000 2.316 463 E HA 0.321 4.670 4.350 -0.001 0.000 0.275 463 E C -0.609 175.890 176.600 -0.168 0.000 1.029 463 E CA -0.362 56.011 56.400 -0.045 0.000 0.871 463 E CB 2.028 31.768 29.700 0.066 0.000 1.022 463 E HN 0.431 nan 8.360 nan 0.000 0.418 464 V N 5.247 125.062 119.914 -0.165 0.000 2.217 464 V HA 0.111 4.230 4.120 -0.001 0.000 0.264 464 V C -0.228 175.727 176.094 -0.232 0.000 1.107 464 V CA -0.531 61.657 62.300 -0.187 0.000 0.913 464 V CB -0.512 31.237 31.823 -0.123 0.000 1.153 464 V HN 0.537 nan 8.190 nan 0.000 0.469 465 I N 3.706 124.061 120.570 -0.360 0.000 2.574 465 I HA 0.128 4.298 4.170 -0.001 0.000 0.291 465 I C 0.970 176.923 176.117 -0.274 0.000 1.131 465 I CA 0.660 61.706 61.300 -0.423 0.000 1.352 465 I CB -0.208 37.337 38.000 -0.758 0.000 1.431 465 I HN 0.436 nan 8.210 nan 0.000 0.543 466 R N 5.064 125.456 120.500 -0.180 0.000 2.298 466 R HA 0.471 4.811 4.340 -0.001 0.000 0.310 466 R C 0.574 176.825 176.300 -0.081 0.000 1.068 466 R CA -0.231 55.792 56.100 -0.129 0.000 0.957 466 R CB 0.505 30.750 30.300 -0.091 0.000 1.003 466 R HN 0.798 nan 8.270 nan 0.000 0.454 467 G N 1.834 110.595 108.800 -0.065 0.000 2.621 467 G HA2 -0.029 3.930 3.960 -0.001 0.000 0.271 467 G HA3 -0.029 3.930 3.960 -0.001 0.000 0.271 467 G C 0.431 175.340 174.900 0.016 0.000 1.236 467 G CA -0.350 44.754 45.100 0.007 0.000 0.958 467 G HN 0.876 nan 8.290 nan 0.000 0.512 468 E N -1.617 118.605 120.200 0.038 0.000 2.208 468 E HA 0.083 4.433 4.350 -0.001 0.000 0.193 468 E C 1.538 178.152 176.600 0.024 0.000 0.988 468 E CA 1.232 57.648 56.400 0.028 0.000 0.828 468 E CB -0.086 29.633 29.700 0.032 0.000 0.763 468 E HN 0.400 nan 8.360 nan 0.000 0.478 469 K N 1.263 121.686 120.400 0.038 0.000 2.593 469 K HA 0.292 4.612 4.320 -0.001 0.000 0.208 469 K C 0.115 176.735 176.600 0.034 0.000 1.051 469 K CA -0.217 56.091 56.287 0.034 0.000 1.111 469 K CB 0.682 33.208 32.500 0.043 0.000 0.849 469 K HN 0.071 nan 8.250 nan 0.000 0.479 470 S N 1.786 117.495 115.700 0.015 0.000 2.499 470 S HA 0.386 4.856 4.470 -0.001 0.000 0.279 470 S C 0.527 175.110 174.600 -0.027 0.000 1.219 470 S CA -0.314 57.881 58.200 -0.007 0.000 1.062 470 S CB 1.227 64.399 63.200 -0.047 0.000 0.978 470 S HN 0.723 nan 8.310 nan 0.000 0.489 471 S N 2.216 117.899 115.700 -0.028 0.000 2.614 471 S HA 0.224 4.694 4.470 -0.001 0.000 0.265 471 S C 0.332 174.889 174.600 -0.071 0.000 1.303 471 S CA -0.563 57.614 58.200 -0.040 0.000 1.000 471 S CB 0.480 63.662 63.200 -0.029 0.000 0.935 471 S HN 0.565 nan 8.310 nan 0.000 0.551 472 D N 0.532 120.882 120.400 -0.083 0.000 2.144 472 D HA -0.055 4.585 4.640 -0.001 0.000 0.200 472 D C 1.764 177.976 176.300 -0.146 0.000 0.978 472 D CA 0.831 54.751 54.000 -0.133 0.000 0.833 472 D CB -0.369 40.355 40.800 -0.126 0.000 0.961 472 D HN 0.508 nan 8.370 nan 0.000 0.470 473 L N 0.458 121.623 121.223 -0.097 0.000 2.083 473 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 473 L C 2.229 179.051 176.870 -0.080 0.000 1.083 473 L CA 1.181 55.972 54.840 -0.081 0.000 0.752 473 L CB -0.171 41.858 42.059 -0.050 0.000 0.899 473 L HN -0.015 nan 8.230 nan 0.000 0.433 474 A N -0.752 122.023 122.820 -0.074 0.000 1.877 474 A HA -0.180 4.139 4.320 -0.001 0.000 0.216 474 A C 2.156 179.684 177.584 -0.093 0.000 1.186 474 A CA 1.981 53.977 52.037 -0.069 0.000 0.620 474 A CB -0.877 18.088 19.000 -0.058 0.000 0.822 474 A HN 0.281 nan 8.150 nan 0.000 0.443 475 V N -0.084 119.755 119.914 -0.126 0.000 2.358 475 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 475 V C 3.039 179.039 176.094 -0.156 0.000 1.047 475 V CA 1.821 64.031 62.300 -0.150 0.000 1.035 475 V CB -1.410 30.301 31.823 -0.187 0.000 0.658 475 V HN 0.618 nan 8.190 nan 0.000 0.452 476 A N 0.210 122.907 122.820 -0.205 0.000 1.883 476 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 476 A C 2.420 179.976 177.584 -0.046 0.000 1.186 476 A CA 2.732 54.661 52.037 -0.180 0.000 0.624 476 A CB -1.136 17.754 19.000 -0.182 0.000 0.822 476 A HN 0.502 nan 8.150 nan 0.000 0.444 477 T N -0.181 114.350 114.554 -0.039 0.000 2.746 477 T HA -0.121 4.229 4.350 -0.001 0.000 0.267 477 T C 2.004 176.733 174.700 0.048 0.000 1.039 477 T CA 1.947 64.047 62.100 0.001 0.000 1.142 477 T CB -0.595 68.257 68.868 -0.026 0.000 0.866 477 T HN 0.591 nan 8.240 nan 0.000 0.444 478 T N 1.916 116.484 114.554 0.023 0.000 2.708 478 T HA -0.071 4.279 4.350 -0.001 0.000 0.266 478 T C 2.213 176.959 174.700 0.077 0.000 1.037 478 T CA 0.937 63.078 62.100 0.067 0.000 1.146 478 T CB -0.580 68.281 68.868 -0.012 0.000 0.865 478 T HN 0.155 nan 8.240 nan 0.000 0.435 479 V N 1.839 121.774 119.914 0.034 0.000 2.287 479 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 479 V C 2.931 179.065 176.094 0.067 0.000 1.053 479 V CA 1.810 64.138 62.300 0.048 0.000 1.027 479 V CB -1.290 30.604 31.823 0.119 0.000 0.646 479 V HN 0.543 nan 8.190 nan 0.000 0.447 480 A N -0.871 122.005 122.820 0.093 0.000 1.877 480 A HA -0.287 4.032 4.320 -0.001 0.000 0.216 480 A C 2.199 179.858 177.584 0.125 0.000 1.186 480 A CA 2.144 54.238 52.037 0.096 0.000 0.620 480 A CB -0.874 18.182 19.000 0.094 0.000 0.822 480 A HN 0.625 nan 8.150 nan 0.000 0.443 481 Y N 0.809 121.119 120.300 0.016 0.000 2.256 481 Y HA -0.103 4.447 4.550 -0.001 0.000 0.288 481 Y C 2.536 178.465 175.900 0.048 0.000 1.155 481 Y CA 0.790 58.908 58.100 0.030 0.000 1.203 481 Y CB -0.564 37.919 38.460 0.038 0.000 0.980 481 Y HN 0.316 nan 8.280 nan 0.000 0.530 482 A N 0.314 123.121 122.820 -0.022 0.000 1.872 482 A HA -0.086 4.233 4.320 -0.001 0.000 0.214 482 A C 2.393 179.921 177.584 -0.094 0.000 1.187 482 A CA 2.331 54.306 52.037 -0.104 0.000 0.614 482 A CB -1.173 17.770 19.000 -0.096 0.000 0.826 482 A HN 0.397 nan 8.150 nan 0.000 0.442 483 K N -0.548 119.819 120.400 -0.056 0.000 2.097 483 K HA -0.106 4.214 4.320 -0.001 0.000 0.206 483 K C 2.346 178.916 176.600 -0.050 0.000 1.049 483 K CA 2.524 58.778 56.287 -0.055 0.000 0.933 483 K CB -1.583 30.898 32.500 -0.032 0.000 0.717 483 K HN 0.744 nan 8.250 nan 0.000 0.442 484 K N 0.593 120.970 120.400 -0.040 0.000 2.147 484 K HA 0.097 4.417 4.320 -0.001 0.000 0.205 484 K C 2.060 178.614 176.600 -0.077 0.000 1.049 484 K CA 1.645 57.912 56.287 -0.033 0.000 0.936 484 K CB -0.614 31.897 32.500 0.019 0.000 0.722 484 K HN 0.611 nan 8.250 nan 0.000 0.446 485 M N 0.113 119.632 119.600 -0.135 0.000 2.608 485 M HA 0.196 4.676 4.480 -0.001 0.000 0.224 485 M C 1.062 177.325 176.300 -0.062 0.000 1.204 485 M CA 0.467 55.689 55.300 -0.130 0.000 0.984 485 M CB -0.030 32.454 32.600 -0.193 0.000 1.691 485 M HN 0.514 nan 8.290 nan 0.000 0.469 486 G N 1.425 110.193 108.800 -0.054 0.000 2.273 486 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.280 486 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.280 486 G C 0.016 174.896 174.900 -0.032 0.000 1.047 486 G CA 0.240 45.318 45.100 -0.036 0.000 0.869 486 G HN 0.361 nan 8.290 nan 0.000 0.502 487 K N -0.520 119.847 120.400 -0.055 0.000 2.354 487 K HA 0.532 4.852 4.320 -0.001 0.000 0.238 487 K C 0.042 176.543 176.600 -0.164 0.000 1.068 487 K CA -1.034 55.208 56.287 -0.074 0.000 0.925 487 K CB 0.691 33.169 32.500 -0.038 0.000 1.286 487 K HN 0.117 nan 8.250 nan 0.000 0.500 488 N N 2.295 120.845 118.700 -0.249 0.000 2.716 488 N HA 0.244 4.984 4.740 -0.001 0.000 0.253 488 N C -2.636 172.697 175.510 -0.295 0.000 1.170 488 N CA -1.014 51.794 53.050 -0.403 0.000 0.807 488 N CB 1.782 39.706 38.487 -0.939 0.000 1.183 488 N HN 0.270 nan 8.380 nan 0.000 0.524 489 P HA 0.395 nan 4.420 nan 0.000 0.277 489 P C -0.380 176.857 177.300 -0.105 0.000 1.240 489 P CA -0.225 62.794 63.100 -0.135 0.000 0.798 489 P CB 1.660 33.303 31.700 -0.095 0.000 0.979 490 I N 1.345 121.870 120.570 -0.074 0.000 2.571 490 I HA 0.164 4.333 4.170 -0.001 0.000 0.289 490 I C -0.203 175.897 176.117 -0.028 0.000 1.115 490 I CA -1.307 59.968 61.300 -0.042 0.000 1.045 490 I CB 2.544 40.521 38.000 -0.039 0.000 1.238 490 I HN -0.005 nan 8.210 nan 0.000 0.424 491 V N 6.817 126.734 119.914 0.005 0.000 2.479 491 V HA 0.227 4.347 4.120 -0.001 0.000 0.281 491 V C 0.051 176.132 176.094 -0.023 0.000 1.031 491 V CA -0.142 62.153 62.300 -0.007 0.000 1.038 491 V CB 1.056 32.905 31.823 0.043 0.000 0.981 491 V HN 0.411 nan 8.190 nan 0.000 0.478 492 V N 5.025 124.903 119.914 -0.060 0.000 2.638 492 V HA 0.424 4.544 4.120 -0.001 0.000 0.306 492 V C -0.106 175.949 176.094 -0.066 0.000 1.052 492 V CA -1.102 61.171 62.300 -0.046 0.000 0.885 492 V CB 2.154 33.952 31.823 -0.041 0.000 0.999 492 V HN 0.831 nan 8.190 nan 0.000 0.424 493 N N 1.932 120.624 118.700 -0.012 0.000 2.508 493 N HA 0.122 4.861 4.740 -0.001 0.000 0.264 493 N C -0.380 175.153 175.510 0.038 0.000 1.216 493 N CA -0.292 52.759 53.050 0.001 0.000 0.943 493 N CB 0.892 39.395 38.487 0.028 0.000 1.113 493 N HN 0.841 nan 8.380 nan 0.000 0.447 494 D N 0.293 120.718 120.400 0.041 0.000 2.450 494 D HA 0.159 4.798 4.640 -0.001 0.000 0.247 494 D C -0.398 176.015 176.300 0.189 0.000 1.162 494 D CA 0.080 54.157 54.000 0.129 0.000 0.879 494 D CB 0.190 41.052 40.800 0.103 0.000 1.163 494 D HN 0.582 nan 8.370 nan 0.000 0.472 495 C N 2.247 121.729 119.300 0.304 0.000 3.302 495 C HA 0.507 4.967 4.460 -0.001 0.000 0.347 495 C C -2.914 172.178 174.990 0.169 0.000 1.218 495 C CA -1.793 57.359 59.018 0.224 0.000 1.234 495 C CB 0.908 28.797 27.740 0.248 0.000 1.551 495 C HN 0.434 nan 8.230 nan 0.000 0.501 496 P HA 0.336 nan 4.420 nan 0.000 0.254 496 P C 1.104 178.380 177.300 -0.040 0.000 1.186 496 P CA 2.626 65.691 63.100 -0.059 0.000 0.868 496 P CB -0.141 31.493 31.700 -0.110 0.000 0.856 497 G N 2.387 110.992 108.800 -0.325 0.000 2.195 497 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.224 497 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.224 497 G C 0.504 175.335 174.900 -0.115 0.000 0.990 497 G CA -0.167 44.765 45.100 -0.280 0.000 0.639 497 G HN 0.484 nan 8.290 nan 0.000 0.514 498 F N -2.428 117.576 119.950 0.091 0.000 2.182 498 F HA -0.330 4.196 4.527 -0.001 0.000 0.318 498 F C 1.721 177.578 175.800 0.095 0.000 0.142 498 F CA 0.721 58.779 58.000 0.097 0.000 0.912 498 F CB -1.464 37.615 39.000 0.131 0.000 4.133 498 F HN 0.306 nan 8.300 nan 0.000 0.138 499 L N 0.227 121.660 121.223 0.350 0.000 2.276 499 L HA 0.080 4.419 4.340 -0.001 0.000 0.194 499 L C 2.031 178.996 176.870 0.158 0.000 1.099 499 L CA 1.682 56.631 54.840 0.182 0.000 0.800 499 L CB -0.896 41.234 42.059 0.118 0.000 0.994 499 L HN 0.492 nan 8.230 nan 0.000 0.475 500 V N 1.841 121.873 119.914 0.197 0.000 2.219 500 V HA -0.343 3.777 4.120 -0.001 0.000 0.248 500 V C 2.364 178.559 176.094 0.167 0.000 1.053 500 V CA 2.516 64.897 62.300 0.135 0.000 1.009 500 V CB -1.395 30.494 31.823 0.110 0.000 0.636 500 V HN 0.498 nan 8.190 nan 0.000 0.445 501 N N 0.326 119.207 118.700 0.302 0.000 2.061 501 N HA -0.218 4.522 4.740 -0.001 0.000 0.193 501 N C 1.903 177.591 175.510 0.297 0.000 1.030 501 N CA 1.661 54.924 53.050 0.354 0.000 0.856 501 N CB -0.504 38.196 38.487 0.356 0.000 1.023 501 N HN 0.437 nan 8.380 nan 0.000 0.424 502 R N 0.640 121.237 120.500 0.162 0.000 2.159 502 R HA -0.061 4.279 4.340 -0.001 0.000 0.237 502 R C 0.862 177.199 176.300 0.062 0.000 1.131 502 R CA 0.995 57.141 56.100 0.076 0.000 0.982 502 R CB 0.024 30.348 30.300 0.040 0.000 0.868 502 R HN 0.145 nan 8.270 nan 0.000 0.453 503 V N 0.483 120.437 119.914 0.067 0.000 3.125 503 V HA -0.069 4.050 4.120 -0.001 0.000 0.249 503 V C 1.974 178.066 176.094 -0.003 0.000 1.113 503 V CA 0.591 62.901 62.300 0.017 0.000 1.106 503 V CB 0.150 31.967 31.823 -0.011 0.000 0.768 503 V HN 0.318 nan 8.190 nan 0.000 0.468 504 L N -0.949 120.264 121.223 -0.016 0.000 2.156 504 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 504 L C 2.187 178.798 176.870 -0.431 0.000 1.095 504 L CA 1.809 56.483 54.840 -0.276 0.000 0.770 504 L CB -0.157 41.695 42.059 -0.345 0.000 0.914 504 L HN 0.228 nan 8.230 nan 0.000 0.439 505 F N 0.113 119.962 119.950 -0.169 0.000 2.234 505 F HA 0.064 4.591 4.527 -0.001 0.000 0.296 505 F C -0.427 175.386 175.800 0.023 0.000 1.089 505 F CA 0.491 58.460 58.000 -0.053 0.000 1.343 505 F CB -1.938 37.073 39.000 0.018 0.000 1.040 505 F HN 0.110 nan 8.300 nan 0.000 0.498 506 P HA -0.223 nan 4.420 nan 0.000 0.216 506 P C 1.432 178.785 177.300 0.089 0.000 1.150 506 P CA 1.350 64.503 63.100 0.089 0.000 0.837 506 P CB -0.246 31.466 31.700 0.020 0.000 0.786 507 Y N -0.485 119.765 120.300 -0.083 0.000 2.165 507 Y HA -0.181 4.369 4.550 -0.001 0.000 0.286 507 Y C 1.933 177.873 175.900 0.067 0.000 1.155 507 Y CA 1.491 59.525 58.100 -0.111 0.000 1.164 507 Y CB -1.158 37.113 38.460 -0.316 0.000 0.978 507 Y HN -0.076 nan 8.280 nan 0.000 0.513 508 F N -0.629 119.237 119.950 -0.140 0.000 2.502 508 F HA -0.038 4.488 4.527 -0.001 0.000 0.298 508 F C 2.437 178.248 175.800 0.019 0.000 1.111 508 F CA 0.161 58.063 58.000 -0.162 0.000 1.445 508 F CB -0.350 38.553 39.000 -0.162 0.000 1.081 508 F HN 0.212 nan 8.300 nan 0.000 0.558 509 G N 0.186 109.123 108.800 0.227 0.000 2.408 509 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 509 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 509 G C 1.871 176.890 174.900 0.197 0.000 1.150 509 G CA 0.808 46.021 45.100 0.189 0.000 0.776 509 G HN 0.438 nan 8.290 nan 0.000 0.542 510 G N 0.192 109.096 108.800 0.173 0.000 2.422 510 G HA2 -0.117 3.843 3.960 -0.001 0.000 0.218 510 G HA3 -0.117 3.843 3.960 -0.001 0.000 0.218 510 G C 1.540 176.602 174.900 0.271 0.000 1.140 510 G CA 0.789 46.060 45.100 0.285 0.000 0.775 510 G HN 0.346 nan 8.290 nan 0.000 0.545 511 F N 2.442 122.379 119.950 -0.022 0.000 2.113 511 F HA 0.174 4.701 4.527 -0.001 0.000 0.297 511 F C 2.731 178.525 175.800 -0.011 0.000 1.103 511 F CA 1.099 59.040 58.000 -0.097 0.000 1.248 511 F CB -0.474 38.370 39.000 -0.262 0.000 0.999 511 F HN 0.202 nan 8.300 nan 0.000 0.475 512 A N 0.435 123.234 122.820 -0.035 0.000 1.986 512 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 512 A C 2.242 179.792 177.584 -0.056 0.000 1.171 512 A CA 2.045 54.029 52.037 -0.088 0.000 0.640 512 A CB -0.736 18.308 19.000 0.075 0.000 0.811 512 A HN 0.517 nan 8.150 nan 0.000 0.451 513 K N -0.590 119.863 120.400 0.089 0.000 2.103 513 K HA 0.077 4.397 4.320 -0.001 0.000 0.204 513 K C 1.828 178.486 176.600 0.097 0.000 1.052 513 K CA 1.002 57.417 56.287 0.215 0.000 0.945 513 K CB -0.295 32.486 32.500 0.468 0.000 0.722 513 K HN 0.467 nan 8.250 nan 0.000 0.443 514 L N 0.694 121.873 121.223 -0.074 0.000 2.017 514 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 514 L C 2.334 179.029 176.870 -0.293 0.000 1.073 514 L CA 1.024 55.673 54.840 -0.319 0.000 0.745 514 L CB -0.566 41.299 42.059 -0.325 0.000 0.894 514 L HN -0.031 nan 8.230 nan 0.000 0.432 515 V N -1.002 118.696 119.914 -0.361 0.000 2.392 515 V HA -0.264 3.856 4.120 -0.001 0.000 0.249 515 V C 2.480 178.453 176.094 -0.201 0.000 1.059 515 V CA 1.990 64.124 62.300 -0.275 0.000 1.051 515 V CB -0.517 31.111 31.823 -0.325 0.000 0.658 515 V HN 0.375 nan 8.190 nan 0.000 0.455 516 S N 0.185 115.777 115.700 -0.181 0.000 2.447 516 S HA 0.023 4.493 4.470 -0.001 0.000 0.233 516 S C 1.730 176.257 174.600 -0.122 0.000 1.006 516 S CA 1.003 59.086 58.200 -0.196 0.000 0.957 516 S CB -0.237 62.913 63.200 -0.085 0.000 0.773 516 S HN 0.639 nan 8.310 nan 0.000 0.507 517 A N 0.441 123.205 122.820 -0.093 0.000 2.411 517 A HA 0.558 4.877 4.320 -0.001 0.000 0.251 517 A C 1.448 178.967 177.584 -0.107 0.000 1.317 517 A CA 0.322 52.317 52.037 -0.069 0.000 0.904 517 A CB -0.950 17.986 19.000 -0.106 0.000 0.993 517 A HN 0.666 nan 8.150 nan 0.000 0.504 518 G N -1.076 107.654 108.800 -0.117 0.000 2.168 518 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.257 518 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.257 518 G C 0.223 175.053 174.900 -0.116 0.000 0.997 518 G CA 0.373 45.411 45.100 -0.104 0.000 0.708 518 G HN 0.844 nan 8.290 nan 0.000 0.520 519 V N 1.049 120.873 119.914 -0.151 0.000 2.488 519 V HA 0.343 4.463 4.120 -0.001 0.000 0.277 519 V C 0.689 176.715 176.094 -0.113 0.000 1.046 519 V CA -0.433 61.773 62.300 -0.156 0.000 0.986 519 V CB 1.597 33.283 31.823 -0.229 0.000 0.989 519 V HN 0.398 nan 8.190 nan 0.000 0.475 520 D N 4.031 124.358 120.400 -0.122 0.000 2.382 520 D HA -0.007 4.632 4.640 -0.001 0.000 0.259 520 D C 0.968 177.188 176.300 -0.133 0.000 1.224 520 D CA -0.276 53.616 54.000 -0.180 0.000 0.894 520 D CB 0.596 41.262 40.800 -0.222 0.000 1.127 520 D HN 0.451 nan 8.370 nan 0.000 0.487 521 F N 2.748 122.714 119.950 0.027 0.000 2.269 521 F HA -0.106 4.421 4.527 -0.001 0.000 0.301 521 F C 1.607 177.475 175.800 0.113 0.000 1.082 521 F CA 0.216 58.306 58.000 0.150 0.000 1.360 521 F CB -0.910 38.278 39.000 0.313 0.000 1.041 521 F HN 0.205 nan 8.300 nan 0.000 0.512 522 V N 1.084 120.698 119.914 -0.499 0.000 2.358 522 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 522 V C 2.780 178.847 176.094 -0.045 0.000 1.047 522 V CA 2.224 64.394 62.300 -0.216 0.000 1.035 522 V CB -0.866 30.733 31.823 -0.373 0.000 0.658 522 V HN 0.419 nan 8.190 nan 0.000 0.452 523 R N -0.053 120.394 120.500 -0.088 0.000 2.092 523 R HA -0.063 4.277 4.340 -0.001 0.000 0.231 523 R C 2.200 178.510 176.300 0.017 0.000 1.119 523 R CA 1.310 57.389 56.100 -0.035 0.000 0.970 523 R CB -0.251 30.013 30.300 -0.061 0.000 0.864 523 R HN 0.477 nan 8.270 nan 0.000 0.440 524 I N 1.640 122.240 120.570 0.050 0.000 2.076 524 I HA -0.314 3.855 4.170 -0.001 0.000 0.237 524 I C 1.784 177.954 176.117 0.088 0.000 1.059 524 I CA 1.991 63.344 61.300 0.089 0.000 1.317 524 I CB -0.622 37.503 38.000 0.208 0.000 1.037 524 I HN 0.322 nan 8.210 nan 0.000 0.398 525 D N 1.505 121.970 120.400 0.109 0.000 2.218 525 D HA -0.161 4.479 4.640 -0.001 0.000 0.204 525 D C 2.031 178.388 176.300 0.095 0.000 0.976 525 D CA 1.575 55.623 54.000 0.081 0.000 0.853 525 D CB -0.484 40.377 40.800 0.100 0.000 0.939 525 D HN 0.297 nan 8.370 nan 0.000 0.481 526 K N 0.955 121.406 120.400 0.086 0.000 2.148 526 K HA 0.050 4.370 4.320 -0.001 0.000 0.204 526 K C 2.254 178.907 176.600 0.087 0.000 1.050 526 K CA 1.292 57.621 56.287 0.070 0.000 0.942 526 K CB -1.099 31.429 32.500 0.046 0.000 0.724 526 K HN 0.222 nan 8.250 nan 0.000 0.446 527 V N 0.769 120.738 119.914 0.091 0.000 2.488 527 V HA -0.157 3.963 4.120 -0.001 0.000 0.246 527 V C 2.536 178.736 176.094 0.176 0.000 1.046 527 V CA 1.370 63.737 62.300 0.112 0.000 1.053 527 V CB -0.259 31.611 31.823 0.079 0.000 0.679 527 V HN 0.489 nan 8.190 nan 0.000 0.458 528 M N -0.393 119.310 119.600 0.171 0.000 2.319 528 M HA -0.075 4.404 4.480 -0.001 0.000 0.265 528 M C 1.991 178.522 176.300 0.384 0.000 1.068 528 M CA 1.278 56.748 55.300 0.283 0.000 1.118 528 M CB -1.107 31.585 32.600 0.153 0.000 1.395 528 M HN 0.433 nan 8.290 nan 0.000 0.435 529 E N -0.129 120.215 120.200 0.240 0.000 2.216 529 E HA -0.123 4.226 4.350 -0.001 0.000 0.192 529 E C 1.943 178.644 176.600 0.169 0.000 0.988 529 E CA 0.536 57.053 56.400 0.195 0.000 0.834 529 E CB 0.028 29.798 29.700 0.116 0.000 0.772 529 E HN 0.434 nan 8.360 nan 0.000 0.479 530 K N 0.239 120.744 120.400 0.175 0.000 2.366 530 K HA -0.097 4.222 4.320 -0.001 0.000 0.198 530 K C 1.668 178.390 176.600 0.203 0.000 1.044 530 K CA 0.407 56.783 56.287 0.149 0.000 0.973 530 K CB 0.064 32.643 32.500 0.131 0.000 0.767 530 K HN 0.028 nan 8.250 nan 0.000 0.475 531 F N -0.252 119.756 119.950 0.096 0.000 2.149 531 F HA 0.102 4.629 4.527 -0.001 0.000 0.294 531 F C 1.370 177.165 175.800 -0.010 0.000 1.095 531 F CA 1.851 59.888 58.000 0.062 0.000 1.276 531 F CB 0.459 39.513 39.000 0.090 0.000 1.023 531 F HN 0.144 nan 8.300 nan 0.000 0.480 532 G N -2.168 106.603 108.800 -0.048 0.000 3.272 532 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.219 532 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.219 532 G C -0.574 174.144 174.900 -0.302 0.000 0.952 532 G CA -0.535 44.401 45.100 -0.273 0.000 0.833 532 G HN 0.147 nan 8.290 nan 0.000 0.608 533 W N 1.277 122.532 121.300 -0.076 0.000 2.210 533 W HA 0.468 5.127 4.660 -0.001 0.000 0.330 533 W C -1.089 175.402 176.519 -0.046 0.000 1.334 533 W CA -1.151 56.139 57.345 -0.091 0.000 1.227 533 W CB 0.878 30.328 29.460 -0.018 0.000 1.178 533 W HN -0.031 nan 8.180 nan 0.000 0.560 534 P HA -0.179 nan 4.420 nan 0.000 0.213 534 P C 0.137 177.537 177.300 0.167 0.000 1.170 534 P CA 1.902 65.072 63.100 0.116 0.000 0.898 534 P CB 0.184 31.930 31.700 0.078 0.000 0.787 535 M N -1.575 118.153 119.600 0.213 0.000 2.598 535 M HA 0.477 4.956 4.480 -0.001 0.000 0.317 535 M C 0.586 177.006 176.300 0.200 0.000 1.179 535 M CA -0.920 54.535 55.300 0.258 0.000 0.936 535 M CB 2.021 34.762 32.600 0.234 0.000 1.713 535 M HN -0.192 nan 8.290 nan 0.000 0.460 536 G N 0.811 109.724 108.800 0.189 0.000 2.537 536 G HA2 0.381 4.341 3.960 -0.001 0.000 0.273 536 G HA3 0.381 4.341 3.960 -0.001 0.000 0.273 536 G C -2.399 172.426 174.900 -0.124 0.000 1.189 536 G CA -1.320 43.812 45.100 0.052 0.000 0.881 536 G HN 0.405 nan 8.290 nan 0.000 0.535 537 P HA -0.178 nan 4.420 nan 0.000 0.214 537 P C 2.179 178.735 177.300 -1.239 0.000 1.163 537 P CA 2.461 65.053 63.100 -0.847 0.000 0.889 537 P CB 0.195 31.130 31.700 -1.276 0.000 0.790 538 A N -1.530 120.561 122.820 -1.214 0.000 1.877 538 A HA -0.241 4.078 4.320 -0.001 0.000 0.216 538 A C 2.338 179.674 177.584 -0.413 0.000 1.186 538 A CA 1.632 52.975 52.037 -1.156 0.000 0.620 538 A CB -2.016 16.568 19.000 -0.694 0.000 0.822 538 A HN 0.160 nan 8.150 nan 0.000 0.443 539 Y N 0.124 120.334 120.300 -0.150 0.000 2.224 539 Y HA -0.136 4.413 4.550 -0.001 0.000 0.289 539 Y C 1.984 177.821 175.900 -0.105 0.000 1.146 539 Y CA 1.532 59.598 58.100 -0.056 0.000 1.182 539 Y CB -0.354 38.031 38.460 -0.126 0.000 0.983 539 Y HN 0.262 nan 8.280 nan 0.000 0.524 540 L N -0.940 120.137 121.223 -0.244 0.000 2.017 540 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 540 L C 2.312 179.032 176.870 -0.250 0.000 1.073 540 L CA 1.340 56.032 54.840 -0.246 0.000 0.745 540 L CB -0.336 41.702 42.059 -0.035 0.000 0.894 540 L HN 0.236 nan 8.230 nan 0.000 0.432 541 M N -0.443 118.918 119.600 -0.398 0.000 2.202 541 M HA -0.238 4.242 4.480 -0.001 0.000 0.262 541 M C 1.771 178.002 176.300 -0.115 0.000 1.063 541 M CA 1.587 56.687 55.300 -0.334 0.000 1.097 541 M CB -1.101 31.187 32.600 -0.521 0.000 1.382 541 M HN 0.341 nan 8.290 nan 0.000 0.413 542 D N -0.440 119.905 120.400 -0.091 0.000 2.149 542 D HA -0.079 4.561 4.640 -0.001 0.000 0.201 542 D C 2.159 178.355 176.300 -0.174 0.000 0.972 542 D CA 1.002 54.996 54.000 -0.009 0.000 0.835 542 D CB -0.089 40.815 40.800 0.174 0.000 0.966 542 D HN 0.201 nan 8.370 nan 0.000 0.476 543 V N 1.221 120.957 119.914 -0.297 0.000 2.261 543 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 543 V C 2.746 178.756 176.094 -0.141 0.000 1.047 543 V CA 1.087 63.210 62.300 -0.295 0.000 1.015 543 V CB -0.544 31.061 31.823 -0.363 0.000 0.642 543 V HN 0.034 nan 8.190 nan 0.000 0.446 544 V N -0.161 119.704 119.914 -0.082 0.000 2.427 544 V HA 0.192 4.311 4.120 -0.001 0.000 0.248 544 V C 1.116 177.230 176.094 0.034 0.000 1.051 544 V CA 1.313 63.618 62.300 0.008 0.000 1.048 544 V CB -1.205 30.654 31.823 0.061 0.000 0.666 544 V HN 0.852 nan 8.190 nan 0.000 0.456 545 G N -0.776 108.037 108.800 0.021 0.000 3.069 545 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.686 545 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.686 545 G C -0.251 174.713 174.900 0.106 0.000 1.161 545 G CA -0.377 44.759 45.100 0.059 0.000 0.804 545 G HN -0.007 nan 8.290 nan 0.000 0.608 546 I N 1.589 122.239 120.570 0.133 0.000 2.286 546 I HA -0.033 4.137 4.170 -0.001 0.000 0.248 546 I C 2.508 178.728 176.117 0.171 0.000 1.115 546 I CA 2.313 63.717 61.300 0.173 0.000 1.392 546 I CB -0.334 37.787 38.000 0.202 0.000 1.065 546 I HN 0.774 nan 8.210 nan 0.000 0.418 547 D N -1.293 119.224 120.400 0.194 0.000 2.178 547 D HA -0.138 4.501 4.640 -0.001 0.000 0.202 547 D C 1.887 178.245 176.300 0.096 0.000 0.974 547 D CA 1.510 55.604 54.000 0.156 0.000 0.841 547 D CB -0.854 40.106 40.800 0.267 0.000 0.953 547 D HN 0.197 nan 8.370 nan 0.000 0.478 548 T N -0.333 114.309 114.554 0.147 0.000 2.770 548 T HA 0.046 4.396 4.350 -0.001 0.000 0.258 548 T C 2.144 176.998 174.700 0.256 0.000 1.039 548 T CA 1.311 63.528 62.100 0.196 0.000 1.143 548 T CB -0.875 68.100 68.868 0.179 0.000 0.866 548 T HN 0.394 nan 8.240 nan 0.000 0.428 549 G N 1.144 110.091 108.800 0.244 0.000 2.450 549 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.220 549 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.220 549 G C 1.447 176.523 174.900 0.293 0.000 1.130 549 G CA 0.906 46.202 45.100 0.328 0.000 0.760 549 G HN 0.525 nan 8.290 nan 0.000 0.557 550 H N -0.020 119.077 119.070 0.045 0.000 2.389 550 H HA -0.107 4.448 4.556 -0.001 0.000 0.299 550 H C 2.272 177.577 175.328 -0.038 0.000 1.081 550 H CA 1.842 57.834 56.048 -0.093 0.000 1.345 550 H CB -0.201 29.260 29.762 -0.502 0.000 1.393 550 H HN 0.499 nan 8.280 nan 0.000 0.520 551 H N -0.126 119.010 119.070 0.111 0.000 2.363 551 H HA 0.013 4.568 4.556 -0.001 0.000 0.301 551 H C 2.361 177.688 175.328 -0.002 0.000 1.074 551 H CA 1.805 57.896 56.048 0.071 0.000 1.354 551 H CB -0.607 29.187 29.762 0.054 0.000 1.397 551 H HN 0.424 nan 8.280 nan 0.000 0.516 552 G N 0.426 109.184 108.800 -0.070 0.000 2.432 552 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.219 552 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.219 552 G C 1.849 176.472 174.900 -0.462 0.000 1.135 552 G CA 0.546 45.447 45.100 -0.332 0.000 0.767 552 G HN 0.418 nan 8.290 nan 0.000 0.550 553 R N 0.565 120.964 120.500 -0.169 0.000 2.083 553 R HA -0.119 4.221 4.340 -0.001 0.000 0.237 553 R C 1.990 178.180 176.300 -0.183 0.000 1.137 553 R CA 2.046 58.069 56.100 -0.128 0.000 0.951 553 R CB -0.371 29.879 30.300 -0.084 0.000 0.851 553 R HN 0.275 nan 8.270 nan 0.000 0.434 554 D N -0.330 119.956 120.400 -0.189 0.000 2.178 554 D HA -0.111 4.528 4.640 -0.001 0.000 0.202 554 D C 1.859 178.049 176.300 -0.184 0.000 0.974 554 D CA 1.069 54.982 54.000 -0.145 0.000 0.841 554 D CB 0.103 40.858 40.800 -0.075 0.000 0.953 554 D HN 0.074 nan 8.370 nan 0.000 0.478 555 V N 0.535 120.271 119.914 -0.298 0.000 2.427 555 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 555 V C 2.072 178.023 176.094 -0.238 0.000 1.051 555 V CA 1.151 63.270 62.300 -0.302 0.000 1.048 555 V CB -0.267 31.306 31.823 -0.416 0.000 0.666 555 V HN 0.263 nan 8.190 nan 0.000 0.456 556 M N -0.342 119.103 119.600 -0.258 0.000 2.334 556 M HA 0.137 4.617 4.480 -0.001 0.000 0.266 556 M C 2.367 178.655 176.300 -0.021 0.000 1.082 556 M CA 1.541 56.761 55.300 -0.134 0.000 1.141 556 M CB -1.367 31.103 32.600 -0.216 0.000 1.380 556 M HN 0.364 nan 8.290 nan 0.000 0.440 557 A N 0.620 123.404 122.820 -0.060 0.000 1.902 557 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 557 A C 2.097 179.665 177.584 -0.026 0.000 1.181 557 A CA 1.674 53.700 52.037 -0.018 0.000 0.623 557 A CB -0.635 18.344 19.000 -0.034 0.000 0.818 557 A HN 0.556 nan 8.150 nan 0.000 0.443 558 E N -0.623 119.537 120.200 -0.067 0.000 2.150 558 E HA -0.063 4.287 4.350 -0.001 0.000 0.193 558 E C 2.123 178.639 176.600 -0.140 0.000 0.985 558 E CA 0.603 56.952 56.400 -0.085 0.000 0.814 558 E CB -0.331 29.314 29.700 -0.092 0.000 0.752 558 E HN 0.607 nan 8.360 nan 0.000 0.466 559 G N 1.015 109.714 108.800 -0.168 0.000 2.453 559 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.215 559 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.215 559 G C 0.414 174.915 174.900 -0.664 0.000 1.201 559 G CA 0.488 45.352 45.100 -0.394 0.000 0.784 559 G HN 0.130 nan 8.290 nan 0.000 0.545 560 F N 0.616 120.542 119.950 -0.041 0.000 2.550 560 F HA 0.403 4.930 4.527 -0.001 0.000 0.348 560 F C -1.883 173.907 175.800 -0.017 0.000 1.219 560 F CA -2.175 55.812 58.000 -0.021 0.000 1.203 560 F CB 2.144 41.136 39.000 -0.014 0.000 1.436 560 F HN -0.028 nan 8.300 nan 0.000 0.541 561 P HA -0.204 nan 4.420 nan 0.000 0.218 561 P C 1.538 178.879 177.300 0.069 0.000 1.148 561 P CA 1.532 64.663 63.100 0.051 0.000 0.822 561 P CB 0.163 31.870 31.700 0.013 0.000 0.784 562 D N 0.193 120.646 120.400 0.088 0.000 2.311 562 D HA -0.202 4.438 4.640 -0.001 0.000 0.212 562 D C 1.334 177.680 176.300 0.077 0.000 0.972 562 D CA 1.191 55.241 54.000 0.083 0.000 0.887 562 D CB -0.140 40.718 40.800 0.098 0.000 0.915 562 D HN 0.349 nan 8.370 nan 0.000 0.497 563 R N -1.717 118.833 120.500 0.084 0.000 2.580 563 R HA 0.257 4.596 4.340 -0.001 0.000 0.285 563 R C 1.301 177.626 176.300 0.043 0.000 0.947 563 R CA -0.284 55.843 56.100 0.045 0.000 1.102 563 R CB -0.157 30.156 30.300 0.022 0.000 1.696 563 R HN 0.040 nan 8.270 nan 0.000 0.506 564 M N 1.914 121.558 119.600 0.072 0.000 2.685 564 M HA 0.280 4.760 4.480 -0.001 0.000 0.355 564 M C 0.050 176.382 176.300 0.054 0.000 1.197 564 M CA 0.121 55.460 55.300 0.065 0.000 0.947 564 M CB 1.762 34.410 32.600 0.079 0.000 1.346 564 M HN 0.209 nan 8.290 nan 0.000 0.516 565 K N 1.687 122.116 120.400 0.048 0.000 2.533 565 K HA 0.277 4.596 4.320 -0.001 0.000 0.207 565 K C -0.174 176.447 176.600 0.036 0.000 1.052 565 K CA -0.651 55.656 56.287 0.033 0.000 1.030 565 K CB -0.364 32.153 32.500 0.027 0.000 1.522 565 K HN 0.405 nan 8.250 nan 0.000 0.543 566 D N -0.159 120.266 120.400 0.042 0.000 1.825 566 D HA 0.060 4.700 4.640 -0.001 0.000 0.312 566 D C -0.533 175.792 176.300 0.043 0.000 1.066 566 D CA 0.636 54.666 54.000 0.050 0.000 0.826 566 D CB -0.119 40.722 40.800 0.069 0.000 1.144 566 D HN 0.413 nan 8.370 nan 0.000 0.392 567 D N -1.923 118.508 120.400 0.052 0.000 3.672 567 D HA 0.310 4.950 4.640 -0.001 0.000 0.216 567 D C -0.842 175.490 176.300 0.053 0.000 1.119 567 D CA 0.995 55.025 54.000 0.050 0.000 0.914 567 D CB -1.160 39.662 40.800 0.036 0.000 0.685 567 D HN 0.772 nan 8.370 nan 0.000 0.326 568 R N 1.869 122.420 120.500 0.085 0.000 2.725 568 R HA 0.587 4.926 4.340 -0.001 0.000 0.276 568 R C -0.072 176.339 176.300 0.185 0.000 1.189 568 R CA -0.797 55.368 56.100 0.108 0.000 1.083 568 R CB 0.768 31.123 30.300 0.092 0.000 1.262 568 R HN 0.290 nan 8.270 nan 0.000 0.415 569 R N 1.538 122.151 120.500 0.188 0.000 2.538 569 R HA 0.207 4.547 4.340 -0.001 0.000 0.273 569 R C 0.688 177.072 176.300 0.140 0.000 0.967 569 R CA 1.423 57.618 56.100 0.159 0.000 1.101 569 R CB 0.405 30.791 30.300 0.143 0.000 0.908 569 R HN 0.927 nan 8.270 nan 0.000 0.411 570 S N 1.175 116.925 115.700 0.082 0.000 2.806 570 S HA 0.518 4.987 4.470 -0.001 0.000 0.315 570 S C 0.958 175.559 174.600 0.002 0.000 1.127 570 S CA -0.434 57.784 58.200 0.030 0.000 0.918 570 S CB 1.736 64.968 63.200 0.054 0.000 1.240 570 S HN 0.581 nan 8.310 nan 0.000 0.552 571 A N 0.290 123.091 122.820 -0.031 0.000 2.024 571 A HA 0.026 4.346 4.320 -0.001 0.000 0.220 571 A C 1.860 179.439 177.584 -0.009 0.000 1.164 571 A CA 1.374 53.371 52.037 -0.068 0.000 0.643 571 A CB -1.229 17.747 19.000 -0.039 0.000 0.806 571 A HN 0.764 nan 8.150 nan 0.000 0.451 572 I N -0.271 120.354 120.570 0.091 0.000 2.163 572 I HA -0.214 3.955 4.170 -0.001 0.000 0.240 572 I C 1.825 178.058 176.117 0.194 0.000 1.081 572 I CA 1.529 62.916 61.300 0.144 0.000 1.353 572 I CB -0.497 37.579 38.000 0.126 0.000 1.054 572 I HN 0.271 nan 8.210 nan 0.000 0.407 573 D N 1.230 121.740 120.400 0.183 0.000 2.144 573 D HA -0.109 4.531 4.640 -0.001 0.000 0.200 573 D C 2.252 178.663 176.300 0.185 0.000 0.978 573 D CA 1.432 55.592 54.000 0.267 0.000 0.833 573 D CB -0.056 40.864 40.800 0.202 0.000 0.961 573 D HN 0.341 nan 8.370 nan 0.000 0.470 574 A N 1.517 124.383 122.820 0.076 0.000 1.851 574 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 574 A C 2.428 180.006 177.584 -0.009 0.000 1.195 574 A CA 1.112 53.153 52.037 0.005 0.000 0.622 574 A CB -0.978 17.980 19.000 -0.070 0.000 0.831 574 A HN 0.171 nan 8.150 nan 0.000 0.444 575 L N -2.311 118.886 121.223 -0.043 0.000 2.083 575 L HA -0.199 4.141 4.340 -0.001 0.000 0.209 575 L C 2.638 179.540 176.870 0.054 0.000 1.083 575 L CA 1.762 56.570 54.840 -0.053 0.000 0.752 575 L CB -0.661 41.319 42.059 -0.132 0.000 0.899 575 L HN 0.582 nan 8.230 nan 0.000 0.433 576 Y N 1.326 121.623 120.300 -0.005 0.000 2.145 576 Y HA -0.249 4.301 4.550 -0.001 0.000 0.286 576 Y C 2.409 178.288 175.900 -0.035 0.000 1.145 576 Y CA 1.659 59.753 58.100 -0.011 0.000 1.148 576 Y CB -0.157 38.308 38.460 0.010 0.000 0.981 576 Y HN 0.198 nan 8.280 nan 0.000 0.507 577 E N -0.727 119.471 120.200 -0.003 0.000 2.418 577 E HA 0.020 4.370 4.350 -0.001 0.000 0.197 577 E C 1.330 177.875 176.600 -0.093 0.000 1.026 577 E CA 0.483 56.831 56.400 -0.087 0.000 0.862 577 E CB -0.059 29.649 29.700 0.014 0.000 0.799 577 E HN 0.449 nan 8.360 nan 0.000 0.518 578 A N 0.398 123.174 122.820 -0.073 0.000 2.500 578 A HA 0.367 4.687 4.320 -0.001 0.000 0.267 578 A C 1.261 178.800 177.584 -0.074 0.000 1.290 578 A CA 0.582 52.579 52.037 -0.067 0.000 0.928 578 A CB -0.440 18.526 19.000 -0.057 0.000 1.066 578 A HN 0.119 nan 8.150 nan 0.000 0.516 579 K N -0.039 120.296 120.400 -0.109 0.000 3.426 579 K HA -0.241 4.079 4.320 -0.001 0.000 0.315 579 K C 0.364 176.938 176.600 -0.044 0.000 1.293 579 K CA 2.036 58.266 56.287 -0.095 0.000 0.955 579 K CB -2.626 29.830 32.500 -0.074 0.000 1.238 579 K HN 0.703 nan 8.250 nan 0.000 0.441 580 R N 0.320 120.803 120.500 -0.028 0.000 2.870 580 R HA 0.437 4.777 4.340 -0.001 0.000 0.254 580 R C 1.018 177.346 176.300 0.047 0.000 1.392 580 R CA -0.240 55.862 56.100 0.004 0.000 1.322 580 R CB -0.175 30.107 30.300 -0.030 0.000 1.205 580 R HN 0.495 nan 8.270 nan 0.000 0.597 581 L N 1.150 122.410 121.223 0.061 0.000 2.650 581 L HA 0.109 4.448 4.340 -0.001 0.000 0.235 581 L C 1.197 178.131 176.870 0.107 0.000 1.149 581 L CA 0.300 55.202 54.840 0.104 0.000 0.887 581 L CB -0.429 41.680 42.059 0.082 0.000 1.021 581 L HN 0.845 nan 8.230 nan 0.000 0.441 582 G N -0.188 108.681 108.800 0.114 0.000 2.416 582 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.203 582 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.203 582 G C 0.118 175.069 174.900 0.085 0.000 1.227 582 G CA 0.164 45.336 45.100 0.120 0.000 1.041 582 G HN 0.115 nan 8.290 nan 0.000 0.546 583 Q N -0.243 119.502 119.800 -0.093 0.000 2.119 583 Q HA 0.024 4.363 4.340 -0.001 0.000 0.201 583 Q C 2.951 178.859 176.000 -0.153 0.000 0.972 583 Q CA 2.850 58.434 55.803 -0.364 0.000 0.847 583 Q CB -0.419 27.930 28.738 -0.648 0.000 0.903 583 Q HN 1.012 nan 8.270 nan 0.000 0.433 584 K N 0.581 120.935 120.400 -0.077 0.000 2.148 584 K HA -0.142 4.178 4.320 -0.001 0.000 0.204 584 K C 1.371 177.977 176.600 0.011 0.000 1.050 584 K CA 1.569 57.839 56.287 -0.028 0.000 0.942 584 K CB -0.895 31.599 32.500 -0.010 0.000 0.724 584 K HN 0.405 nan 8.250 nan 0.000 0.446 585 N N -1.377 117.342 118.700 0.033 0.000 2.376 585 N HA 0.058 4.798 4.740 -0.001 0.000 0.177 585 N C 1.302 176.858 175.510 0.077 0.000 1.024 585 N CA 1.751 54.831 53.050 0.050 0.000 0.893 585 N CB 0.431 38.950 38.487 0.053 0.000 0.980 585 N HN 0.567 nan 8.380 nan 0.000 0.439 586 G N -2.379 106.494 108.800 0.122 0.000 2.184 586 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.206 586 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.206 586 G C 0.023 175.076 174.900 0.254 0.000 0.995 586 G CA 0.409 45.627 45.100 0.196 0.000 0.651 586 G HN 0.713 nan 8.290 nan 0.000 0.511 587 K N -0.458 120.071 120.400 0.215 0.000 2.581 587 K HA 0.900 5.219 4.320 -0.001 0.000 0.249 587 K C 0.364 177.067 176.600 0.170 0.000 0.966 587 K CA 0.556 56.953 56.287 0.184 0.000 0.811 587 K CB 1.370 33.924 32.500 0.090 0.000 1.223 587 K HN 1.769 nan 8.250 nan 0.000 0.438 588 G N -0.423 108.509 108.800 0.220 0.000 3.354 588 G HA2 0.498 4.458 3.960 -0.001 0.000 0.174 588 G HA3 0.498 4.458 3.960 -0.001 0.000 0.174 588 G C 0.093 175.015 174.900 0.037 0.000 1.140 588 G CA 0.019 45.219 45.100 0.168 0.000 0.897 588 G HN 0.409 nan 8.290 nan 0.000 0.685 589 F N 0.131 120.046 119.950 -0.059 0.000 2.325 589 F HA 0.305 4.832 4.527 -0.001 0.000 0.299 589 F C 0.717 176.323 175.800 -0.322 0.000 1.090 589 F CA 0.680 58.398 58.000 -0.469 0.000 1.392 589 F CB -0.086 38.358 39.000 -0.927 0.000 1.053 589 F HN 0.063 nan 8.300 nan 0.000 0.521 590 Y N -1.644 118.773 120.300 0.195 0.000 2.686 590 Y HA 0.693 5.243 4.550 -0.001 0.000 0.330 590 Y C 0.032 175.846 175.900 -0.143 0.000 1.082 590 Y CA -2.087 56.023 58.100 0.016 0.000 1.158 590 Y CB 0.565 38.937 38.460 -0.147 0.000 1.333 590 Y HN -0.286 nan 8.280 nan 0.000 0.519 591 A N 0.135 122.877 122.820 -0.131 0.000 2.340 591 A HA 0.835 5.154 4.320 -0.001 0.000 0.331 591 A C -1.893 175.458 177.584 -0.388 0.000 1.140 591 A CA -0.461 51.506 52.037 -0.116 0.000 0.801 591 A CB 0.469 19.460 19.000 -0.015 0.000 1.234 591 A HN 0.653 nan 8.150 nan 0.000 0.469 603 L N 2.781 123.919 121.223 -0.141 0.000 2.286 603 L HA 0.741 5.080 4.340 -0.001 0.000 0.265 603 L C -0.358 176.570 176.870 0.098 0.000 1.012 603 L CA -1.429 53.406 54.840 -0.009 0.000 0.818 603 L CB 2.006 44.054 42.059 -0.020 0.000 1.337 603 L HN 0.233 nan 8.230 nan 0.000 0.438 604 V N -0.247 119.717 119.914 0.083 0.000 2.769 604 V HA 0.598 4.717 4.120 -0.001 0.000 0.312 604 V C -1.315 174.796 176.094 0.029 0.000 1.061 604 V CA -0.602 61.745 62.300 0.077 0.000 0.931 604 V CB 2.051 33.908 31.823 0.056 0.000 1.010 604 V HN 0.883 nan 8.190 nan 0.000 0.433 605 D N 1.094 121.505 120.400 0.019 0.000 2.931 605 D HA 0.102 4.742 4.640 -0.001 0.000 0.215 605 D C 0.454 176.755 176.300 0.000 0.000 1.297 605 D CA -0.126 53.878 54.000 0.007 0.000 0.892 605 D CB 1.663 42.470 40.800 0.010 0.000 1.642 605 D HN 0.502 nan 8.370 nan 0.000 0.560 606 S N 0.771 116.464 115.700 -0.011 0.000 2.584 606 S HA -0.197 4.273 4.470 -0.001 0.000 0.240 606 S C 1.596 176.188 174.600 -0.014 0.000 0.975 606 S CA 1.008 59.198 58.200 -0.018 0.000 0.949 606 S CB -0.511 62.675 63.200 -0.023 0.000 0.761 606 S HN 0.554 nan 8.310 nan 0.000 0.536 607 S N 1.030 116.724 115.700 -0.010 0.000 2.453 607 S HA 0.014 4.484 4.470 -0.001 0.000 0.231 607 S C 1.628 176.215 174.600 -0.022 0.000 1.005 607 S CA 0.662 58.853 58.200 -0.014 0.000 0.949 607 S CB -0.722 62.472 63.200 -0.011 0.000 0.774 607 S HN 0.404 nan 8.310 nan 0.000 0.510 608 V N 2.097 122.002 119.914 -0.015 0.000 2.667 608 V HA -0.029 4.091 4.120 -0.001 0.000 0.252 608 V C 2.424 178.499 176.094 -0.032 0.000 1.065 608 V CA 1.231 63.510 62.300 -0.035 0.000 1.083 608 V CB -0.967 30.849 31.823 -0.012 0.000 0.692 608 V HN 0.467 nan 8.190 nan 0.000 0.468 609 L N -0.050 121.167 121.223 -0.010 0.000 2.079 609 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 609 L C 2.599 179.447 176.870 -0.036 0.000 1.081 609 L CA 1.759 56.588 54.840 -0.018 0.000 0.752 609 L CB -0.725 41.320 42.059 -0.024 0.000 0.896 609 L HN 0.395 nan 8.230 nan 0.000 0.433 610 E N -0.159 120.020 120.200 -0.036 0.000 2.058 610 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 610 E C 2.240 178.811 176.600 -0.047 0.000 0.997 610 E CA 1.557 57.935 56.400 -0.036 0.000 0.801 610 E CB -0.227 29.455 29.700 -0.030 0.000 0.746 610 E HN 0.304 nan 8.360 nan 0.000 0.450 611 V N 1.407 121.285 119.914 -0.060 0.000 2.515 611 V HA -0.208 3.912 4.120 -0.001 0.000 0.250 611 V C 2.158 178.196 176.094 -0.092 0.000 1.058 611 V CA 1.356 63.610 62.300 -0.076 0.000 1.064 611 V CB -0.407 31.357 31.823 -0.099 0.000 0.675 611 V HN 0.254 nan 8.190 nan 0.000 0.461 612 L N -0.285 120.877 121.223 -0.102 0.000 2.492 612 L HA 0.002 4.341 4.340 -0.001 0.000 0.223 612 L C 2.408 179.213 176.870 -0.108 0.000 1.132 612 L CA 0.482 55.253 54.840 -0.116 0.000 0.850 612 L CB -0.480 41.520 42.059 -0.098 0.000 0.966 612 L HN 0.255 nan 8.230 nan 0.000 0.454 613 K N 1.770 122.122 120.400 -0.080 0.000 2.044 613 K HA -0.149 4.171 4.320 -0.001 0.000 0.210 613 K C -0.637 175.912 176.600 -0.086 0.000 1.049 613 K CA 1.755 57.998 56.287 -0.073 0.000 0.927 613 K CB -1.286 31.187 32.500 -0.045 0.000 0.713 613 K HN 0.080 nan 8.250 nan 0.000 0.443 614 P HA -0.103 nan 4.420 nan 0.000 0.226 614 P C 0.609 177.831 177.300 -0.131 0.000 1.146 614 P CA 0.864 63.941 63.100 -0.039 0.000 0.773 614 P CB 0.068 31.765 31.700 -0.006 0.000 0.772 615 I N -2.205 118.208 120.570 -0.261 0.000 3.035 615 I HA -0.009 4.161 4.170 -0.001 0.000 0.271 615 I C 0.708 176.293 176.117 -0.888 0.000 1.190 615 I CA 0.399 61.379 61.300 -0.533 0.000 1.472 615 I CB -0.895 36.920 38.000 -0.308 0.000 1.116 615 I HN -0.262 nan 8.210 nan 0.000 0.443 616 V N 2.223 121.854 119.914 -0.472 0.000 2.425 616 V HA -0.111 4.009 4.120 -0.001 0.000 0.276 616 V C 0.896 176.833 176.094 -0.260 0.000 1.017 616 V CA 0.542 62.643 62.300 -0.331 0.000 1.062 616 V CB -0.724 31.009 31.823 -0.150 0.000 0.997 616 V HN 0.286 nan 8.190 nan 0.000 0.476 617 Y N 2.107 122.407 120.300 0.001 0.000 2.442 617 Y HA 0.475 5.025 4.550 -0.001 0.000 0.250 617 Y C 1.130 177.035 175.900 0.009 0.000 1.113 617 Y CA 0.353 58.458 58.100 0.008 0.000 1.273 617 Y CB 0.835 39.306 38.460 0.017 0.000 1.138 617 Y HN 0.718 nan 8.280 nan 0.000 0.522 618 E N -0.089 120.180 120.200 0.114 0.000 2.378 618 E HA 0.534 4.883 4.350 -0.001 0.000 0.283 618 E C -0.770 175.841 176.600 0.019 0.000 0.979 618 E CA -0.147 56.295 56.400 0.071 0.000 0.795 618 E CB 0.674 30.428 29.700 0.089 0.000 1.221 618 E HN 0.097 nan 8.360 nan 0.000 0.428 619 Q N 1.115 120.920 119.800 0.008 0.000 2.399 619 Q HA 0.386 4.725 4.340 -0.001 0.000 0.307 619 Q C 0.797 176.787 176.000 -0.017 0.000 0.933 619 Q CA 0.208 56.001 55.803 -0.016 0.000 0.995 619 Q CB -0.564 28.165 28.738 -0.014 0.000 1.191 619 Q HN 0.570 nan 8.270 nan 0.000 0.426 620 R N 1.572 122.066 120.500 -0.010 0.000 2.583 620 R HA 0.034 4.374 4.340 -0.001 0.000 0.274 620 R C -0.921 175.357 176.300 -0.037 0.000 0.998 620 R CA 0.208 56.305 56.100 -0.005 0.000 1.081 620 R CB 0.418 30.733 30.300 0.025 0.000 0.940 620 R HN 0.496 nan 8.270 nan 0.000 0.413 621 D N 2.289 122.678 120.400 -0.019 0.000 2.225 621 D HA 0.340 4.980 4.640 -0.001 0.000 0.249 621 D C -0.986 175.296 176.300 -0.030 0.000 1.052 621 D CA -0.099 53.883 54.000 -0.029 0.000 0.909 621 D CB 1.973 42.767 40.800 -0.010 0.000 1.186 621 D HN 0.195 nan 8.370 nan 0.000 0.431 622 V N 1.198 121.081 119.914 -0.052 0.000 2.969 622 V HA 0.367 4.486 4.120 -0.001 0.000 0.304 622 V C -0.389 175.689 176.094 -0.026 0.000 1.192 622 V CA -0.535 61.736 62.300 -0.048 0.000 0.962 622 V CB 2.177 33.891 31.823 -0.182 0.000 1.045 622 V HN 0.751 nan 8.190 nan 0.000 0.428 623 T N 1.216 115.785 114.554 0.024 0.000 2.874 623 T HA 0.346 4.695 4.350 -0.001 0.000 0.281 623 T C 0.629 175.350 174.700 0.036 0.000 0.994 623 T CA -0.125 61.997 62.100 0.037 0.000 1.015 623 T CB 1.119 70.028 68.868 0.069 0.000 1.028 623 T HN 0.687 nan 8.240 nan 0.000 0.523 624 D N 0.831 121.255 120.400 0.040 0.000 2.263 624 D HA -0.026 4.614 4.640 -0.001 0.000 0.208 624 D C 2.304 178.652 176.300 0.079 0.000 0.971 624 D CA 1.528 55.556 54.000 0.047 0.000 0.867 624 D CB -0.346 40.487 40.800 0.055 0.000 0.929 624 D HN 0.920 nan 8.370 nan 0.000 0.492 625 E N 1.600 121.863 120.200 0.105 0.000 2.107 625 E HA -0.154 4.195 4.350 -0.001 0.000 0.191 625 E C 1.688 178.393 176.600 0.176 0.000 0.982 625 E CA 1.064 57.549 56.400 0.142 0.000 0.809 625 E CB -0.463 29.326 29.700 0.148 0.000 0.756 625 E HN 0.233 nan 8.360 nan 0.000 0.459 626 D N 0.197 120.720 120.400 0.205 0.000 2.123 626 D HA -0.024 4.616 4.640 -0.001 0.000 0.200 626 D C 2.123 178.598 176.300 0.291 0.000 0.976 626 D CA 0.966 55.178 54.000 0.352 0.000 0.831 626 D CB -0.144 40.909 40.800 0.422 0.000 0.974 626 D HN 0.484 nan 8.370 nan 0.000 0.469 627 I N 1.284 121.898 120.570 0.074 0.000 2.248 627 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 627 I C 2.367 178.523 176.117 0.066 0.000 1.107 627 I CA 0.919 62.203 61.300 -0.027 0.000 1.373 627 I CB -0.268 37.698 38.000 -0.056 0.000 1.055 627 I HN -0.028 nan 8.210 nan 0.000 0.418 628 I N 0.580 121.183 120.570 0.054 0.000 2.493 628 I HA -0.225 3.945 4.170 -0.001 0.000 0.254 628 I C 2.082 178.211 176.117 0.019 0.000 1.160 628 I CA 1.005 62.279 61.300 -0.044 0.000 1.445 628 I CB -0.506 37.434 38.000 -0.099 0.000 1.086 628 I HN 0.326 nan 8.210 nan 0.000 0.433 629 N N 0.158 118.917 118.700 0.099 0.000 2.207 629 N HA -0.133 4.607 4.740 -0.001 0.000 0.182 629 N C 1.547 177.087 175.510 0.050 0.000 1.020 629 N CA 1.098 54.147 53.050 -0.002 0.000 0.858 629 N CB -0.258 38.056 38.487 -0.289 0.000 0.991 629 N HN 0.354 nan 8.380 nan 0.000 0.427 630 W N 1.419 122.675 121.300 -0.073 0.000 2.387 630 W HA 0.043 4.703 4.660 -0.001 0.000 0.272 630 W C 2.156 178.728 176.519 0.089 0.000 1.224 630 W CA 0.660 58.092 57.345 0.144 0.000 1.210 630 W CB -0.179 29.360 29.460 0.131 0.000 1.125 630 W HN 0.069 nan 8.180 nan 0.000 0.572 631 M N -1.906 117.826 119.600 0.221 0.000 2.553 631 M HA -0.003 4.477 4.480 -0.001 0.000 0.255 631 M C 1.940 178.372 176.300 0.220 0.000 1.181 631 M CA 1.026 56.383 55.300 0.095 0.000 1.210 631 M CB -1.466 31.117 32.600 -0.029 0.000 1.280 631 M HN -0.127 nan 8.290 nan 0.000 0.495 632 M N 0.755 120.464 119.600 0.181 0.000 2.117 632 M HA -0.074 4.406 4.480 -0.001 0.000 0.262 632 M C 2.311 178.758 176.300 0.246 0.000 1.065 632 M CA 1.580 57.007 55.300 0.212 0.000 1.114 632 M CB -1.378 31.285 32.600 0.105 0.000 1.361 632 M HN 0.204 nan 8.290 nan 0.000 0.408 633 I N 0.096 120.776 120.570 0.183 0.000 2.118 633 I HA -0.262 3.908 4.170 -0.001 0.000 0.241 633 I C -0.493 175.624 176.117 -0.001 0.000 1.070 633 I CA 1.676 63.062 61.300 0.145 0.000 1.327 633 I CB -2.079 35.904 38.000 -0.029 0.000 1.034 633 I HN 0.167 nan 8.210 nan 0.000 0.405 634 P HA -0.171 nan 4.420 nan 0.000 0.218 634 P C 1.947 179.219 177.300 -0.045 0.000 1.148 634 P CA 1.354 64.295 63.100 -0.265 0.000 0.822 634 P CB 0.063 31.545 31.700 -0.364 0.000 0.784 635 L N -1.338 119.928 121.223 0.071 0.000 2.072 635 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 635 L C 1.985 178.901 176.870 0.076 0.000 1.079 635 L CA 1.641 56.539 54.840 0.097 0.000 0.752 635 L CB -0.735 41.422 42.059 0.163 0.000 0.906 635 L HN 0.003 nan 8.230 nan 0.000 0.436 636 C N -0.066 119.319 119.300 0.140 0.000 2.432 636 C HA -0.139 4.320 4.460 -0.001 0.000 0.277 636 C C 2.647 177.688 174.990 0.085 0.000 1.249 636 C CA 0.612 59.693 59.018 0.104 0.000 1.725 636 C CB -1.009 26.864 27.740 0.222 0.000 2.028 636 C HN 0.530 nan 8.230 nan 0.000 0.477 637 L N 0.773 122.092 121.223 0.159 0.000 2.042 637 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 637 L C 2.682 179.579 176.870 0.044 0.000 1.076 637 L CA 1.783 56.703 54.840 0.134 0.000 0.749 637 L CB -0.788 41.325 42.059 0.091 0.000 0.893 637 L HN 0.304 nan 8.230 nan 0.000 0.432 638 E N 0.003 120.199 120.200 -0.006 0.000 2.153 638 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 638 E C 2.005 178.574 176.600 -0.052 0.000 0.988 638 E CA 1.699 58.066 56.400 -0.054 0.000 0.811 638 E CB -0.110 29.549 29.700 -0.068 0.000 0.746 638 E HN 0.318 nan 8.360 nan 0.000 0.466 639 T N -0.457 114.069 114.554 -0.047 0.000 2.821 639 T HA -0.091 4.259 4.350 -0.001 0.000 0.267 639 T C 1.837 176.503 174.700 -0.056 0.000 1.046 639 T CA 1.252 63.304 62.100 -0.079 0.000 1.139 639 T CB -0.215 68.565 68.868 -0.146 0.000 0.871 639 T HN 0.026 nan 8.240 nan 0.000 0.454 640 V N 1.734 121.639 119.914 -0.016 0.000 2.490 640 V HA -0.162 3.958 4.120 -0.001 0.000 0.250 640 V C 2.519 178.669 176.094 0.094 0.000 1.061 640 V CA 1.524 63.883 62.300 0.098 0.000 1.064 640 V CB -0.623 31.338 31.823 0.229 0.000 0.670 640 V HN 0.426 nan 8.190 nan 0.000 0.461 641 R N -0.803 119.719 120.500 0.037 0.000 2.115 641 R HA -0.079 4.260 4.340 -0.001 0.000 0.226 641 R C 2.279 178.578 176.300 -0.001 0.000 1.100 641 R CA 1.543 57.649 56.100 0.010 0.000 0.980 641 R CB -0.695 29.575 30.300 -0.051 0.000 0.875 641 R HN 0.449 nan 8.270 nan 0.000 0.445 642 C N 0.787 120.076 119.300 -0.018 0.000 2.432 642 C HA 0.028 4.488 4.460 -0.001 0.000 0.280 642 C C 2.487 177.489 174.990 0.020 0.000 1.353 642 C CA 0.354 59.369 59.018 -0.005 0.000 1.766 642 C CB -0.770 26.961 27.740 -0.015 0.000 1.924 642 C HN 0.445 nan 8.230 nan 0.000 0.509 643 L N 0.140 121.380 121.223 0.029 0.000 2.202 643 L HA -0.029 4.311 4.340 -0.001 0.000 0.205 643 L C 2.570 179.475 176.870 0.058 0.000 1.083 643 L CA 1.251 56.118 54.840 0.045 0.000 0.790 643 L CB -0.328 41.775 42.059 0.072 0.000 0.942 643 L HN 0.394 nan 8.230 nan 0.000 0.452 644 E N -0.262 119.979 120.200 0.068 0.000 2.072 644 E HA -0.189 4.160 4.350 -0.001 0.000 0.190 644 E C 1.289 177.921 176.600 0.054 0.000 0.982 644 E CA 0.979 57.416 56.400 0.063 0.000 0.803 644 E CB 0.148 29.890 29.700 0.070 0.000 0.755 644 E HN 0.423 nan 8.360 nan 0.000 0.453 645 D N -0.433 120.001 120.400 0.057 0.000 2.348 645 D HA -0.024 4.615 4.640 -0.001 0.000 0.216 645 D C 0.821 177.159 176.300 0.063 0.000 0.970 645 D CA 0.975 55.016 54.000 0.069 0.000 0.889 645 D CB 0.442 41.297 40.800 0.092 0.000 0.912 645 D HN 0.308 nan 8.370 nan 0.000 0.524 646 G N 1.078 109.909 108.800 0.052 0.000 2.248 646 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.252 646 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.252 646 G C 0.716 175.645 174.900 0.048 0.000 1.085 646 G CA -0.109 45.017 45.100 0.044 0.000 0.845 646 G HN 0.231 nan 8.290 nan 0.000 0.494 647 I N -0.768 119.833 120.570 0.052 0.000 3.035 647 I HA 0.238 4.407 4.170 -0.001 0.000 0.271 647 I C 1.154 177.295 176.117 0.039 0.000 1.190 647 I CA 0.653 61.990 61.300 0.061 0.000 1.472 647 I CB 0.719 38.766 38.000 0.078 0.000 1.116 647 I HN 0.157 nan 8.210 nan 0.000 0.443 648 V N 0.105 120.034 119.914 0.025 0.000 2.656 648 V HA 0.229 4.349 4.120 -0.001 0.000 0.307 648 V C 1.055 177.153 176.094 0.006 0.000 1.051 648 V CA -0.813 61.493 62.300 0.010 0.000 0.893 648 V CB 2.195 34.016 31.823 -0.004 0.000 0.999 648 V HN 0.153 nan 8.190 nan 0.000 0.426 649 E N 2.433 122.634 120.200 0.003 0.000 2.046 649 E HA -0.077 4.273 4.350 -0.001 0.000 0.190 649 E C 0.744 177.335 176.600 -0.015 0.000 0.982 649 E CA 1.538 57.938 56.400 0.001 0.000 0.800 649 E CB 0.319 30.024 29.700 0.008 0.000 0.756 649 E HN 0.885 nan 8.360 nan 0.000 0.449 650 T N -3.562 110.972 114.554 -0.033 0.000 2.924 650 T HA 0.640 4.989 4.350 -0.001 0.000 0.291 650 T C 0.822 175.469 174.700 -0.088 0.000 1.045 650 T CA -0.369 61.691 62.100 -0.065 0.000 1.015 650 T CB 1.705 70.523 68.868 -0.084 0.000 1.103 650 T HN 0.054 nan 8.240 nan 0.000 0.496 651 A N 1.047 123.784 122.820 -0.137 0.000 1.978 651 A HA 0.188 4.508 4.320 -0.001 0.000 0.220 651 A C 2.523 180.014 177.584 -0.155 0.000 1.170 651 A CA 1.934 53.873 52.037 -0.163 0.000 0.636 651 A CB -1.478 17.360 19.000 -0.270 0.000 0.810 651 A HN 1.288 nan 8.150 nan 0.000 0.448 652 A N 0.001 122.715 122.820 -0.176 0.000 1.865 652 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 652 A C 1.928 179.480 177.584 -0.052 0.000 1.191 652 A CA 1.742 53.731 52.037 -0.079 0.000 0.623 652 A CB -0.583 18.371 19.000 -0.077 0.000 0.826 652 A HN 0.641 nan 8.150 nan 0.000 0.444 653 E N -0.410 119.754 120.200 -0.061 0.000 2.150 653 E HA -0.032 4.318 4.350 -0.001 0.000 0.193 653 E C 2.186 178.754 176.600 -0.053 0.000 0.985 653 E CA 0.708 57.081 56.400 -0.046 0.000 0.814 653 E CB -0.263 29.415 29.700 -0.036 0.000 0.752 653 E HN 0.623 nan 8.360 nan 0.000 0.466 654 A N 1.433 124.211 122.820 -0.071 0.000 2.019 654 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 654 A C 1.557 179.057 177.584 -0.140 0.000 1.164 654 A CA 1.507 53.489 52.037 -0.091 0.000 0.644 654 A CB -0.050 18.889 19.000 -0.101 0.000 0.805 654 A HN 0.105 nan 8.150 nan 0.000 0.449 655 D N -1.171 119.139 120.400 -0.149 0.000 2.338 655 D HA 0.018 4.658 4.640 -0.001 0.000 0.224 655 D C 1.816 177.997 176.300 -0.197 0.000 0.967 655 D CA 0.568 54.424 54.000 -0.239 0.000 0.896 655 D CB -0.212 40.448 40.800 -0.234 0.000 1.028 655 D HN 0.222 nan 8.370 nan 0.000 0.493 656 M N 0.867 120.413 119.600 -0.090 0.000 2.374 656 M HA 0.008 4.487 4.480 -0.001 0.000 0.264 656 M C 2.136 178.470 176.300 0.058 0.000 1.067 656 M CA 0.699 56.001 55.300 0.003 0.000 1.103 656 M CB -1.283 31.374 32.600 0.094 0.000 1.402 656 M HN -0.032 nan 8.290 nan 0.000 0.444 657 G N -0.303 108.490 108.800 -0.012 0.000 2.471 657 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.219 657 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.219 657 G C 1.651 176.524 174.900 -0.045 0.000 1.125 657 G CA 0.334 45.429 45.100 -0.009 0.000 0.775 657 G HN 0.427 nan 8.290 nan 0.000 0.548 658 L N -0.015 121.151 121.223 -0.095 0.000 2.298 658 L HA 0.092 4.431 4.340 -0.001 0.000 0.209 658 L C 2.745 179.567 176.870 -0.079 0.000 1.084 658 L CA -0.013 54.772 54.840 -0.092 0.000 0.816 658 L CB 0.014 41.962 42.059 -0.186 0.000 0.967 658 L HN 0.033 nan 8.230 nan 0.000 0.460 659 V N -1.144 118.676 119.914 -0.157 0.000 2.427 659 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 659 V C 1.874 177.728 176.094 -0.400 0.000 1.051 659 V CA 1.811 63.937 62.300 -0.290 0.000 1.048 659 V CB -0.628 30.941 31.823 -0.423 0.000 0.666 659 V HN 0.367 nan 8.190 nan 0.000 0.456 660 Y N 0.306 120.524 120.300 -0.136 0.000 2.503 660 Y HA 0.314 4.864 4.550 -0.001 0.000 0.277 660 Y C 2.281 178.057 175.900 -0.207 0.000 1.102 660 Y CA 0.703 58.715 58.100 -0.146 0.000 1.261 660 Y CB -0.211 38.172 38.460 -0.130 0.000 1.096 660 Y HN 0.227 nan 8.280 nan 0.000 0.546 661 G N 0.052 108.778 108.800 -0.123 0.000 2.670 661 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.219 661 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.219 661 G C 1.454 176.183 174.900 -0.286 0.000 1.342 661 G CA 0.316 45.197 45.100 -0.365 0.000 0.902 661 G HN 0.307 nan 8.290 nan 0.000 0.553 662 I N 0.857 121.327 120.570 -0.167 0.000 2.567 662 I HA 0.122 4.292 4.170 -0.001 0.000 0.257 662 I C 1.473 177.644 176.117 0.090 0.000 1.184 662 I CA 1.264 62.527 61.300 -0.062 0.000 1.451 662 I CB -0.129 37.863 38.000 -0.014 0.000 1.089 662 I HN 0.472 nan 8.210 nan 0.000 0.441 663 G N 0.922 109.735 108.800 0.020 0.000 2.325 663 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.248 663 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.248 663 G C -0.034 174.738 174.900 -0.214 0.000 1.108 663 G CA -0.234 44.843 45.100 -0.039 0.000 0.881 663 G HN 0.302 nan 8.290 nan 0.000 0.494 664 F N 1.169 120.831 119.950 -0.481 0.000 2.538 664 F HA 0.477 5.004 4.527 -0.001 0.000 0.371 664 F C -1.321 173.948 175.800 -0.885 0.000 1.087 664 F CA -1.701 55.740 58.000 -0.930 0.000 1.250 664 F CB 0.804 39.451 39.000 -0.588 0.000 1.110 664 F HN 0.067 nan 8.300 nan 0.000 0.570 665 P HA -0.110 nan 4.420 nan 0.000 0.253 665 P C 0.414 177.216 177.300 -0.830 0.000 1.159 665 P CA 0.482 62.874 63.100 -1.179 0.000 0.779 665 P CB 0.321 31.030 31.700 -1.652 0.000 0.745 666 L N 4.887 125.751 121.223 -0.597 0.000 1.971 666 L HA -0.202 4.138 4.340 -0.001 0.000 0.215 666 L C 2.104 178.762 176.870 -0.354 0.000 1.072 666 L CA 2.070 56.673 54.840 -0.395 0.000 0.758 666 L CB -1.424 40.473 42.059 -0.271 0.000 0.889 666 L HN 0.445 nan 8.230 nan 0.000 0.433 667 F N -1.096 118.708 119.950 -0.243 0.000 2.529 667 F HA -0.102 4.425 4.527 -0.001 0.000 0.297 667 F C 1.976 177.665 175.800 -0.186 0.000 1.114 667 F CA 0.684 58.562 58.000 -0.204 0.000 1.467 667 F CB -0.863 38.016 39.000 -0.203 0.000 1.096 667 F HN -0.071 nan 8.300 nan 0.000 0.586 668 R N 0.338 120.494 120.500 -0.573 0.000 2.362 668 R HA 0.321 4.661 4.340 -0.001 0.000 0.227 668 R C 1.853 178.087 176.300 -0.110 0.000 0.905 668 R CA 0.370 56.272 56.100 -0.329 0.000 1.067 668 R CB 0.200 30.142 30.300 -0.597 0.000 1.078 668 R HN 0.554 nan 8.270 nan 0.000 0.516 669 G N 0.479 109.186 108.800 -0.155 0.000 5.452 669 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.310 669 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.310 669 G C 0.394 175.173 174.900 -0.202 0.000 1.392 669 G CA -0.059 44.949 45.100 -0.153 0.000 0.942 669 G HN 0.699 nan 8.290 nan 0.000 0.776 670 G N -2.554 106.080 108.800 -0.278 0.000 2.342 670 G HA2 0.653 4.613 3.960 -0.001 0.000 0.297 670 G HA3 0.653 4.613 3.960 -0.001 0.000 0.297 670 G C 0.606 174.898 174.900 -1.013 0.000 1.313 670 G CA 1.150 45.740 45.100 -0.850 0.000 0.830 670 G HN 1.681 nan 8.290 nan 0.000 0.506 671 A N -0.715 121.355 122.820 -1.250 0.000 1.902 671 A HA 0.119 4.438 4.320 -0.001 0.000 0.217 671 A C 2.388 179.763 177.584 -0.349 0.000 1.181 671 A CA 2.017 53.683 52.037 -0.619 0.000 0.623 671 A CB -0.614 18.112 19.000 -0.455 0.000 0.818 671 A HN 0.618 nan 8.150 nan 0.000 0.443 672 L N -1.548 119.422 121.223 -0.422 0.000 2.109 672 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 672 L C 2.699 179.393 176.870 -0.295 0.000 1.086 672 L CA 1.411 55.942 54.840 -0.515 0.000 0.760 672 L CB -0.420 41.325 42.059 -0.522 0.000 0.910 672 L HN 0.331 nan 8.230 nan 0.000 0.437 673 R N -0.110 120.275 120.500 -0.191 0.000 2.092 673 R HA -0.230 4.110 4.340 -0.001 0.000 0.231 673 R C 2.274 178.499 176.300 -0.125 0.000 1.119 673 R CA 1.447 57.423 56.100 -0.206 0.000 0.970 673 R CB -0.853 29.288 30.300 -0.266 0.000 0.864 673 R HN 0.316 nan 8.270 nan 0.000 0.440 674 Y N 0.421 120.612 120.300 -0.183 0.000 2.274 674 Y HA -0.102 4.448 4.550 -0.001 0.000 0.290 674 Y C 1.656 177.459 175.900 -0.162 0.000 1.145 674 Y CA 1.652 59.705 58.100 -0.078 0.000 1.203 674 Y CB -0.150 38.364 38.460 0.090 0.000 0.984 674 Y HN 0.066 nan 8.280 nan 0.000 0.533 675 I N -0.046 120.300 120.570 -0.372 0.000 2.226 675 I HA -0.300 3.869 4.170 -0.001 0.000 0.245 675 I C 1.732 177.654 176.117 -0.326 0.000 1.100 675 I CA 1.834 62.742 61.300 -0.653 0.000 1.374 675 I CB -0.464 37.127 38.000 -0.682 0.000 1.057 675 I HN 0.124 nan 8.210 nan 0.000 0.413 676 D N 0.523 120.825 120.400 -0.163 0.000 2.144 676 D HA -0.129 4.511 4.640 -0.001 0.000 0.200 676 D C 2.238 178.474 176.300 -0.106 0.000 0.978 676 D CA 1.028 54.988 54.000 -0.067 0.000 0.833 676 D CB -0.100 40.672 40.800 -0.047 0.000 0.961 676 D HN 0.096 nan 8.370 nan 0.000 0.470 677 S N -0.443 115.161 115.700 -0.160 0.000 2.500 677 S HA -0.023 4.447 4.470 -0.001 0.000 0.239 677 S C 1.732 176.251 174.600 -0.135 0.000 0.989 677 S CA 0.553 58.674 58.200 -0.131 0.000 0.951 677 S CB -0.018 63.117 63.200 -0.108 0.000 0.759 677 S HN 0.326 nan 8.310 nan 0.000 0.523 678 I N -0.452 120.013 120.570 -0.175 0.000 3.883 678 I HA 0.301 4.471 4.170 -0.001 0.000 0.305 678 I C 0.906 177.024 176.117 0.001 0.000 1.247 678 I CA 0.236 61.482 61.300 -0.090 0.000 1.350 678 I CB 0.326 38.265 38.000 -0.101 0.000 1.194 678 I HN 0.303 nan 8.210 nan 0.000 0.441 679 G N 1.151 109.951 108.800 0.000 0.000 3.367 679 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.686 679 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.686 679 G C 0.089 175.064 174.900 0.125 0.000 1.146 679 G CA -0.426 44.706 45.100 0.053 0.000 0.913 679 G HN -0.146 nan 8.290 nan 0.000 0.554 680 V N 1.950 121.939 119.914 0.126 0.000 2.324 680 V HA -0.192 3.927 4.120 -0.001 0.000 0.250 680 V C 3.269 179.480 176.094 0.195 0.000 1.060 680 V CA 3.496 65.912 62.300 0.193 0.000 1.042 680 V CB -1.096 30.790 31.823 0.106 0.000 0.650 680 V HN 1.642 nan 8.190 nan 0.000 0.450 681 A N -0.157 122.734 122.820 0.119 0.000 1.930 681 A HA -0.180 4.140 4.320 -0.001 0.000 0.217 681 A C 2.054 179.702 177.584 0.107 0.000 1.175 681 A CA 1.724 53.817 52.037 0.093 0.000 0.627 681 A CB -0.388 18.647 19.000 0.059 0.000 0.815 681 A HN 0.567 nan 8.150 nan 0.000 0.443 682 E N -1.563 118.710 120.200 0.123 0.000 2.481 682 E HA 0.092 4.441 4.350 -0.001 0.000 0.195 682 E C 1.245 177.950 176.600 0.176 0.000 1.047 682 E CA 0.185 56.657 56.400 0.120 0.000 0.867 682 E CB -0.163 29.596 29.700 0.099 0.000 0.858 682 E HN 0.668 nan 8.360 nan 0.000 0.513 683 F N -0.088 119.893 119.950 0.052 0.000 2.219 683 F HA -0.035 4.492 4.527 -0.001 0.000 0.294 683 F C 1.706 177.559 175.800 0.088 0.000 1.086 683 F CA 0.626 58.666 58.000 0.065 0.000 1.330 683 F CB -0.059 38.986 39.000 0.075 0.000 1.047 683 F HN -0.153 nan 8.300 nan 0.000 0.495 684 V N 0.561 120.500 119.914 0.042 0.000 2.515 684 V HA -0.220 3.899 4.120 -0.001 0.000 0.250 684 V C 2.712 178.777 176.094 -0.049 0.000 1.058 684 V CA 1.546 63.818 62.300 -0.047 0.000 1.064 684 V CB -1.600 30.252 31.823 0.049 0.000 0.675 684 V HN 0.421 nan 8.190 nan 0.000 0.461 685 A N -0.337 122.483 122.820 0.000 0.000 1.930 685 A HA -0.148 4.172 4.320 -0.001 0.000 0.217 685 A C 2.257 179.849 177.584 0.013 0.000 1.175 685 A CA 1.780 53.825 52.037 0.013 0.000 0.627 685 A CB -0.466 18.554 19.000 0.035 0.000 0.815 685 A HN 0.487 nan 8.150 nan 0.000 0.443 686 L N -0.853 120.371 121.223 0.002 0.000 2.093 686 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 686 L C 2.856 179.764 176.870 0.064 0.000 1.085 686 L CA 1.210 56.081 54.840 0.051 0.000 0.755 686 L CB -0.329 41.755 42.059 0.043 0.000 0.904 686 L HN 0.413 nan 8.230 nan 0.000 0.435 687 A N -0.427 122.324 122.820 -0.115 0.000 1.902 687 A HA -0.239 4.080 4.320 -0.001 0.000 0.217 687 A C 1.868 179.500 177.584 0.081 0.000 1.181 687 A CA 1.835 53.837 52.037 -0.059 0.000 0.623 687 A CB -0.600 18.271 19.000 -0.214 0.000 0.818 687 A HN 0.475 nan 8.150 nan 0.000 0.443 688 D N -0.175 120.243 120.400 0.030 0.000 2.149 688 D HA -0.182 4.458 4.640 -0.001 0.000 0.198 688 D C 2.046 178.348 176.300 0.003 0.000 0.990 688 D CA 1.517 55.529 54.000 0.020 0.000 0.839 688 D CB -0.379 40.417 40.800 -0.007 0.000 0.948 688 D HN 0.654 nan 8.370 nan 0.000 0.460 689 Q N -0.666 119.137 119.800 0.004 0.000 2.226 689 Q HA -0.141 4.199 4.340 -0.001 0.000 0.204 689 Q C 0.863 176.691 176.000 -0.287 0.000 0.975 689 Q CA 0.884 56.610 55.803 -0.128 0.000 0.866 689 Q CB -0.026 28.623 28.738 -0.149 0.000 0.915 689 Q HN 0.463 nan 8.270 nan 0.000 0.440 690 Y N -1.221 118.991 120.300 -0.146 0.000 2.571 690 Y HA 0.333 4.882 4.550 -0.001 0.000 0.275 690 Y C 1.498 177.205 175.900 -0.323 0.000 1.179 690 Y CA -0.130 57.766 58.100 -0.339 0.000 1.242 690 Y CB 0.164 38.373 38.460 -0.419 0.000 1.126 690 Y HN 0.065 nan 8.280 nan 0.000 0.524 691 A N 0.357 123.175 122.820 -0.004 0.000 2.121 691 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 691 A C 1.830 179.455 177.584 0.069 0.000 1.154 691 A CA 1.415 53.527 52.037 0.125 0.000 0.679 691 A CB -0.361 18.687 19.000 0.080 0.000 0.795 691 A HN 0.521 nan 8.150 nan 0.000 0.458 692 E N -0.003 120.145 120.200 -0.086 0.000 2.512 692 E HA 0.073 4.423 4.350 -0.001 0.000 0.195 692 E C 1.044 177.554 176.600 -0.151 0.000 1.083 692 E CA 0.481 56.828 56.400 -0.089 0.000 0.873 692 E CB -0.469 29.165 29.700 -0.110 0.000 0.897 692 E HN 0.581 nan 8.360 nan 0.000 0.514 693 L N -0.343 120.709 121.223 -0.284 0.000 2.590 693 L HA 0.422 4.762 4.340 -0.001 0.000 0.227 693 L C 0.896 177.687 176.870 -0.131 0.000 1.099 693 L CA 0.170 54.790 54.840 -0.367 0.000 0.872 693 L CB 0.263 41.727 42.059 -0.992 0.000 1.088 693 L HN 0.394 nan 8.230 nan 0.000 0.479 694 G N -1.192 107.565 108.800 -0.070 0.000 2.347 694 G HA2 0.072 4.032 3.960 -0.001 0.000 0.341 694 G HA3 0.072 4.032 3.960 -0.001 0.000 0.341 694 G C 0.131 174.711 174.900 -0.532 0.000 1.287 694 G CA -0.340 44.698 45.100 -0.102 0.000 0.984 694 G HN -0.129 nan 8.290 nan 0.000 0.526 695 A N -0.670 121.859 122.820 -0.485 0.000 2.172 695 A HA 0.277 4.596 4.320 -0.001 0.000 0.216 695 A C 2.362 179.727 177.584 -0.366 0.000 1.154 695 A CA 1.826 53.484 52.037 -0.631 0.000 0.701 695 A CB -0.399 18.526 19.000 -0.126 0.000 0.789 695 A HN 0.875 nan 8.150 nan 0.000 0.465 696 L N -2.236 118.865 121.223 -0.203 0.000 2.376 696 L HA -0.082 4.258 4.340 -0.001 0.000 0.219 696 L C 0.988 177.664 176.870 -0.324 0.000 1.133 696 L CA 0.744 55.460 54.840 -0.206 0.000 0.816 696 L CB -0.223 41.712 42.059 -0.206 0.000 0.933 696 L HN 0.515 nan 8.230 nan 0.000 0.449 697 Y N -2.269 117.915 120.300 -0.194 0.000 2.681 697 Y HA 0.219 4.769 4.550 -0.001 0.000 0.267 697 Y C 0.182 176.137 175.900 0.092 0.000 1.166 697 Y CA -0.738 57.322 58.100 -0.067 0.000 1.209 697 Y CB -0.375 38.046 38.460 -0.065 0.000 1.161 697 Y HN 0.116 nan 8.280 nan 0.000 0.534 698 H N 0.859 119.983 119.070 0.089 0.000 2.597 698 H HA 0.259 4.815 4.556 -0.001 0.000 0.303 698 H C -2.212 173.141 175.328 0.041 0.000 1.057 698 H CA -2.312 53.770 56.048 0.057 0.000 1.261 698 H CB 0.906 30.700 29.762 0.054 0.000 1.397 698 H HN 0.043 nan 8.280 nan 0.000 0.461 699 P HA -0.079 nan 4.420 nan 0.000 0.267 699 P C 0.230 177.596 177.300 0.111 0.000 1.200 699 P CA -0.031 63.137 63.100 0.113 0.000 0.772 699 P CB 0.637 32.382 31.700 0.075 0.000 0.855 700 T N -0.958 113.666 114.554 0.116 0.000 2.828 700 T HA 0.360 4.709 4.350 -0.001 0.000 0.290 700 T C 1.376 176.118 174.700 0.070 0.000 1.019 700 T CA -0.103 62.053 62.100 0.093 0.000 1.031 700 T CB 0.642 69.568 68.868 0.098 0.000 1.001 700 T HN 0.327 nan 8.240 nan 0.000 0.531 701 A N 1.237 124.089 122.820 0.053 0.000 1.902 701 A HA 0.112 4.432 4.320 -0.001 0.000 0.217 701 A C 2.636 180.236 177.584 0.027 0.000 1.181 701 A CA 2.077 54.135 52.037 0.035 0.000 0.623 701 A CB -1.656 17.362 19.000 0.030 0.000 0.818 701 A HN 1.132 nan 8.150 nan 0.000 0.443 702 K N -0.201 120.217 120.400 0.029 0.000 2.148 702 K HA 0.159 4.479 4.320 -0.001 0.000 0.204 702 K C 1.985 178.580 176.600 -0.008 0.000 1.050 702 K CA 1.352 57.644 56.287 0.008 0.000 0.942 702 K CB -0.968 31.540 32.500 0.012 0.000 0.724 702 K HN 0.516 nan 8.250 nan 0.000 0.446 703 L N -0.247 120.995 121.223 0.031 0.000 2.072 703 L HA -0.098 4.242 4.340 -0.001 0.000 0.205 703 L C 2.854 179.744 176.870 0.034 0.000 1.079 703 L CA 1.041 55.906 54.840 0.042 0.000 0.752 703 L CB -0.053 42.098 42.059 0.154 0.000 0.906 703 L HN 0.360 nan 8.230 nan 0.000 0.436 704 R N -0.435 120.089 120.500 0.040 0.000 2.096 704 R HA -0.220 4.120 4.340 -0.001 0.000 0.235 704 R C 2.114 178.420 176.300 0.010 0.000 1.127 704 R CA 1.579 57.696 56.100 0.029 0.000 0.968 704 R CB -0.263 30.051 30.300 0.023 0.000 0.861 704 R HN 0.458 nan 8.270 nan 0.000 0.440 705 E N 1.403 121.603 120.200 -0.000 0.000 2.051 705 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 705 E C 1.914 178.500 176.600 -0.024 0.000 0.991 705 E CA 1.512 57.906 56.400 -0.011 0.000 0.799 705 E CB 0.018 29.710 29.700 -0.014 0.000 0.748 705 E HN 0.337 nan 8.360 nan 0.000 0.449 706 M N -1.487 118.085 119.600 -0.047 0.000 2.618 706 M HA 0.272 4.752 4.480 -0.001 0.000 0.240 706 M C 1.775 178.046 176.300 -0.048 0.000 1.123 706 M CA 0.872 56.129 55.300 -0.072 0.000 1.060 706 M CB 0.449 32.958 32.600 -0.152 0.000 1.535 706 M HN 0.029 nan 8.290 nan 0.000 0.507 707 A N 2.214 125.026 122.820 -0.014 0.000 1.874 707 A HA -0.015 4.305 4.320 -0.001 0.000 0.214 707 A C 2.203 179.795 177.584 0.013 0.000 1.189 707 A CA 1.199 53.246 52.037 0.017 0.000 0.615 707 A CB -0.276 18.747 19.000 0.039 0.000 0.830 707 A HN 0.573 nan 8.150 nan 0.000 0.443 708 K N 0.147 120.551 120.400 0.006 0.000 2.155 708 K HA -0.036 4.283 4.320 -0.001 0.000 0.203 708 K C 1.001 177.602 176.600 0.001 0.000 1.052 708 K CA 1.110 57.401 56.287 0.006 0.000 0.948 708 K CB -0.171 32.331 32.500 0.003 0.000 0.728 708 K HN 0.345 nan 8.250 nan 0.000 0.448 709 N N 0.556 119.251 118.700 -0.007 0.000 2.571 709 N HA -0.047 4.693 4.740 -0.001 0.000 0.189 709 N C 0.799 176.303 175.510 -0.009 0.000 1.154 709 N CA 1.056 54.099 53.050 -0.011 0.000 0.907 709 N CB 0.362 38.837 38.487 -0.020 0.000 0.977 709 N HN 0.377 nan 8.380 nan 0.000 0.449 710 G N 1.114 109.911 108.800 -0.004 0.000 2.249 710 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.273 710 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.273 710 G C -0.208 174.688 174.900 -0.006 0.000 1.036 710 G CA 0.079 45.181 45.100 0.002 0.000 0.824 710 G HN 0.406 nan 8.290 nan 0.000 0.504 711 Q N 0.067 119.851 119.800 -0.027 0.000 2.235 711 Q HA 0.608 4.948 4.340 -0.001 0.000 0.250 711 Q C 0.442 176.400 176.000 -0.069 0.000 0.909 711 Q CA 0.133 55.906 55.803 -0.050 0.000 0.910 711 Q CB 1.560 30.248 28.738 -0.084 0.000 1.223 711 Q HN 0.616 nan 8.270 nan 0.000 0.432 712 S N 0.372 116.049 115.700 -0.038 0.000 2.600 712 S HA 0.420 4.890 4.470 -0.001 0.000 0.300 712 S C 0.136 174.746 174.600 0.017 0.000 1.087 712 S CA -0.739 57.470 58.200 0.015 0.000 0.965 712 S CB 0.548 63.812 63.200 0.105 0.000 1.089 712 S HN 0.557 nan 8.310 nan 0.000 0.496 713 F N 0.184 120.192 119.950 0.096 0.000 2.250 713 F HA 0.091 4.618 4.527 -0.001 0.000 0.301 713 F C 1.217 177.061 175.800 0.073 0.000 1.077 713 F CA 1.218 59.269 58.000 0.085 0.000 1.348 713 F CB -0.438 38.625 39.000 0.106 0.000 1.040 713 F HN 0.511 nan 8.300 nan 0.000 0.509 714 F N -1.099 118.935 119.950 0.141 0.000 2.464 714 F HA 0.570 5.097 4.527 -0.001 0.000 0.223 714 F C 1.358 177.180 175.800 0.037 0.000 1.089 714 F CA 0.526 58.569 58.000 0.072 0.000 0.972 714 F CB -0.816 38.214 39.000 0.051 0.000 1.155 714 F HN -0.247 nan 8.300 nan 0.000 0.665 715 G N 0.000 108.977 108.800 0.296 0.000 5.446 715 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 715 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 715 G CA 0.000 45.188 45.100 0.147 0.000 0.502 715 G HN 0.000 nan 8.290 nan 0.000 0.925