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 1dgk_1_N DATA FIRST_RESID 16 DATA SEQUENCE DDQVKKIDKY LYAMRLSDET LIDIMTRFRK EMKNGLSRDF NPTATVKMLP DATA SEQUENCE TFVRSIPDGS EKGDFIALDL GGSSFRILRV QVNHEKNQNV HMESEVYDTP DATA SEQUENCE ENIVHGSGSQ LFDHVAECLG DFMEKRKIKD KKLPVGFTFS FPCQQSKIDE DATA SEQUENCE AILITWTKRF KASGVEGADV VKLLNKAIKK RGDYDANIVA VVNDTVGTMM DATA SEQUENCE TCGYDDQHCE VGLIIGTGTN ACYMEELRHI DLVEGDEGRM CINTEWGAFG DATA SEQUENCE DDGSLEDIRT EFDRAIDAYS LNPGKQLFEK MVSGMYLGEL VRLILVKMAK DATA SEQUENCE EGLLFEGRIT PELLTRGKFN TSDVSAIEKN KEGLHNAKEI LTRLGVEPSD DATA SEQUENCE DDCVSVQHVC TIVSFRSANL VAATLGAILN RLRDNKGTPR LRTTVGVDGS DATA SEQUENCE LYKTHPQYSR RFHKTLRRLV PDSDVRFLLS ESGSGKGAAM VTAVAYRLAE DATA SEQUENCE QHRQIEETLA HFHLTKDMLL EVKKRMRAEM ELGLRKQTHN NAVVKMLPSF DATA SEQUENCE VRRTPDGTEN GDFLALDLGG ANFRVLLVKI RSGKKRTVEM HNKIYAIPIE DATA SEQUENCE IMQGTGEELF DHIVSCISDF LDYMGIKGPR MPLGFTFSFP CQQTSLDAGI DATA SEQUENCE LITWTKGFKA TDCVGHDVVT LLRDAIKRRE EFDLDVVAVV NDTVGTMMTC DATA SEQUENCE AYEEPTCEVG LIVGTGSNAC YMEEMKNVEM VEGDQGQMCI NMEWGAFGDN DATA SEQUENCE GCLDDIRTHY DRLVDEYSLN AGKQRYEKMI SGMYLGEIVR NILIDFTKKG DATA SEQUENCE FLFRGQISET LKTRGIFETK FLSQIESDRL ALLQVRAILQ QLGLNSTCDD DATA SEQUENCE SILVKTVCGV VSRRAAQLCG AGMAAVVDKI RENRGLDRLN VTVGVDGTLY DATA SEQUENCE KLHPHFSRIM HQTVKELSPK CNVSFLLSED GSGKGAALIT AVGVRLRT 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 16 D HA 0.000 nan 4.640 nan 0.000 0.175 16 D C 0.000 176.270 176.300 -0.051 0.000 2.045 16 D CA 0.000 53.972 54.000 -0.046 0.000 0.868 16 D CB 0.000 40.783 40.800 -0.028 0.000 0.688 17 D N 1.317 121.693 120.400 -0.040 0.000 2.182 17 D HA -0.219 4.421 4.640 0.001 0.000 0.193 17 D C 1.811 178.083 176.300 -0.047 0.000 0.999 17 D CA 2.034 56.013 54.000 -0.035 0.000 0.850 17 D CB -0.009 40.774 40.800 -0.028 0.000 0.994 17 D HN -0.070 nan 8.370 nan 0.000 0.450 18 Q N -0.027 119.738 119.800 -0.058 0.000 2.047 18 Q HA -0.143 4.197 4.340 0.001 0.000 0.211 18 Q C 2.564 178.509 176.000 -0.092 0.000 1.005 18 Q CA 1.405 57.166 55.803 -0.069 0.000 0.866 18 Q CB -1.102 27.594 28.738 -0.071 0.000 0.938 18 Q HN 0.355 nan 8.270 nan 0.000 0.414 19 V N 1.166 120.979 119.914 -0.168 0.000 2.332 19 V HA -0.286 3.835 4.120 0.001 0.000 0.248 19 V C 2.321 178.320 176.094 -0.158 0.000 1.055 19 V CA 2.069 64.163 62.300 -0.343 0.000 1.038 19 V CB -0.477 31.021 31.823 -0.542 0.000 0.651 19 V HN 0.392 nan 8.190 nan 0.000 0.450 20 K N -0.193 120.157 120.400 -0.083 0.000 2.063 20 K HA -0.184 4.137 4.320 0.001 0.000 0.208 20 K C 2.279 178.898 176.600 0.032 0.000 1.048 20 K CA 1.252 57.533 56.287 -0.009 0.000 0.928 20 K CB -0.221 32.274 32.500 -0.009 0.000 0.713 20 K HN 0.330 nan 8.250 nan 0.000 0.442 21 K N 0.791 121.200 120.400 0.015 0.000 2.057 21 K HA -0.055 4.266 4.320 0.001 0.000 0.206 21 K C 2.090 178.743 176.600 0.089 0.000 1.050 21 K CA 0.948 57.260 56.287 0.042 0.000 0.935 21 K CB -0.290 32.214 32.500 0.007 0.000 0.715 21 K HN 0.166 nan 8.250 nan 0.000 0.439 22 I N 2.043 122.658 120.570 0.074 0.000 2.208 22 I HA -0.259 3.911 4.170 0.001 0.000 0.245 22 I C 1.541 177.794 176.117 0.227 0.000 1.097 22 I CA 1.457 62.845 61.300 0.145 0.000 1.363 22 I CB -0.957 37.169 38.000 0.209 0.000 1.051 22 I HN 0.128 nan 8.210 nan 0.000 0.413 23 D N 1.229 121.761 120.400 0.220 0.000 2.123 23 D HA -0.175 4.465 4.640 0.001 0.000 0.196 23 D C 2.222 178.662 176.300 0.234 0.000 0.992 23 D CA 1.294 55.423 54.000 0.215 0.000 0.833 23 D CB -0.089 40.824 40.800 0.187 0.000 0.954 23 D HN 0.389 nan 8.370 nan 0.000 0.455 24 K N -0.541 119.983 120.400 0.206 0.000 2.007 24 K HA -0.131 4.189 4.320 0.001 0.000 0.206 24 K C 2.218 178.949 176.600 0.220 0.000 1.047 24 K CA 0.612 57.012 56.287 0.188 0.000 0.937 24 K CB -0.372 32.190 32.500 0.103 0.000 0.718 24 K HN 0.107 nan 8.250 nan 0.000 0.438 25 Y N 1.439 121.792 120.300 0.089 0.000 2.151 25 Y HA -0.179 4.372 4.550 0.001 0.000 0.284 25 Y C 1.421 177.397 175.900 0.127 0.000 1.166 25 Y CA 1.515 59.668 58.100 0.088 0.000 1.163 25 Y CB 0.068 38.563 38.460 0.059 0.000 0.974 25 Y HN -0.047 nan 8.280 nan 0.000 0.511 26 L N -0.482 120.896 121.223 0.259 0.000 2.791 26 L HA 0.007 4.347 4.340 0.001 0.000 0.239 26 L C 1.286 178.232 176.870 0.127 0.000 1.203 26 L CA -0.184 54.755 54.840 0.166 0.000 1.002 26 L CB -0.559 41.571 42.059 0.117 0.000 1.295 26 L HN 0.232 nan 8.230 nan 0.000 0.504 27 Y N 1.846 122.166 120.300 0.033 0.000 2.132 27 Y HA -0.414 4.137 4.550 0.001 0.000 0.280 27 Y C 2.378 178.275 175.900 -0.004 0.000 1.193 27 Y CA 1.946 60.052 58.100 0.010 0.000 1.157 27 Y CB 0.101 38.562 38.460 0.003 0.000 0.966 27 Y HN 0.286 nan 8.280 nan 0.000 0.511 28 A N -0.709 122.160 122.820 0.083 0.000 2.209 28 A HA -0.075 4.246 4.320 0.001 0.000 0.212 28 A C 2.037 179.591 177.584 -0.049 0.000 1.158 28 A CA 1.292 53.328 52.037 -0.002 0.000 0.742 28 A CB -0.633 18.400 19.000 0.056 0.000 0.790 28 A HN 0.582 nan 8.150 nan 0.000 0.472 29 M N -1.268 118.308 119.600 -0.040 0.000 2.509 29 M HA 0.088 4.568 4.480 0.001 0.000 0.250 29 M C 1.200 177.434 176.300 -0.110 0.000 1.132 29 M CA 0.344 55.617 55.300 -0.045 0.000 1.080 29 M CB 0.174 32.767 32.600 -0.012 0.000 1.408 29 M HN 0.351 nan 8.290 nan 0.000 0.484 30 R N 2.144 122.537 120.500 -0.179 0.000 3.070 30 R HA 0.377 4.718 4.340 0.001 0.000 0.252 30 R C -0.824 175.311 176.300 -0.275 0.000 1.370 30 R CA -0.192 55.765 56.100 -0.238 0.000 1.482 30 R CB -0.056 30.103 30.300 -0.235 0.000 1.220 30 R HN 0.235 nan 8.270 nan 0.000 0.622 31 L N 2.074 123.172 121.223 -0.207 0.000 2.467 31 L HA 0.143 4.483 4.340 0.001 0.000 0.270 31 L C 0.957 177.725 176.870 -0.171 0.000 1.205 31 L CA -0.141 54.596 54.840 -0.173 0.000 0.828 31 L CB 0.890 42.886 42.059 -0.105 0.000 1.101 31 L HN 0.588 nan 8.230 nan 0.000 0.479 32 S N -0.248 115.373 115.700 -0.133 0.000 2.730 32 S HA 0.218 4.689 4.470 0.001 0.000 0.284 32 S C 0.406 174.969 174.600 -0.061 0.000 1.153 32 S CA -0.684 57.455 58.200 -0.102 0.000 0.995 32 S CB 1.692 64.844 63.200 -0.080 0.000 1.058 32 S HN 0.594 nan 8.310 nan 0.000 0.552 33 D N 0.448 120.822 120.400 -0.043 0.000 2.149 33 D HA -0.021 4.619 4.640 0.001 0.000 0.201 33 D C 1.768 178.063 176.300 -0.008 0.000 0.972 33 D CA 1.335 55.324 54.000 -0.019 0.000 0.835 33 D CB -0.285 40.509 40.800 -0.011 0.000 0.966 33 D HN 0.822 nan 8.370 nan 0.000 0.476 34 E N -0.024 120.169 120.200 -0.011 0.000 2.051 34 E HA -0.164 4.187 4.350 0.001 0.000 0.192 34 E C 1.593 178.194 176.600 0.000 0.000 0.991 34 E CA 1.485 57.884 56.400 -0.002 0.000 0.799 34 E CB 0.095 29.794 29.700 -0.002 0.000 0.748 34 E HN 0.093 nan 8.360 nan 0.000 0.449 35 T N 1.421 115.970 114.554 -0.009 0.000 2.746 35 T HA -0.134 4.216 4.350 0.001 0.000 0.267 35 T C 1.868 176.575 174.700 0.010 0.000 1.039 35 T CA 1.267 63.364 62.100 -0.005 0.000 1.142 35 T CB -0.182 68.670 68.868 -0.027 0.000 0.866 35 T HN 0.158 nan 8.240 nan 0.000 0.444 36 L N 0.318 121.545 121.223 0.008 0.000 2.046 36 L HA -0.024 4.317 4.340 0.001 0.000 0.208 36 L C 2.464 179.358 176.870 0.040 0.000 1.077 36 L CA 1.159 56.016 54.840 0.028 0.000 0.747 36 L CB -0.630 41.444 42.059 0.024 0.000 0.896 36 L HN 0.268 nan 8.230 nan 0.000 0.432 37 I N -0.036 120.552 120.570 0.029 0.000 2.286 37 I HA -0.298 3.872 4.170 0.001 0.000 0.248 37 I C 2.334 178.474 176.117 0.039 0.000 1.115 37 I CA 1.353 62.672 61.300 0.032 0.000 1.392 37 I CB -0.437 37.576 38.000 0.021 0.000 1.065 37 I HN 0.349 nan 8.210 nan 0.000 0.418 38 D N 1.649 122.072 120.400 0.037 0.000 2.097 38 D HA -0.182 4.459 4.640 0.001 0.000 0.195 38 D C 2.124 178.471 176.300 0.078 0.000 0.989 38 D CA 1.624 55.650 54.000 0.044 0.000 0.827 38 D CB -0.126 40.693 40.800 0.032 0.000 0.966 38 D HN 0.323 nan 8.370 nan 0.000 0.456 39 I N 0.248 120.874 120.570 0.094 0.000 2.226 39 I HA -0.235 3.935 4.170 0.001 0.000 0.245 39 I C 2.715 178.947 176.117 0.192 0.000 1.100 39 I CA 0.844 62.247 61.300 0.171 0.000 1.374 39 I CB -0.315 37.776 38.000 0.153 0.000 1.057 39 I HN 0.128 nan 8.210 nan 0.000 0.413 40 M N 0.404 120.069 119.600 0.108 0.000 2.080 40 M HA -0.237 4.244 4.480 0.001 0.000 0.260 40 M C 2.278 178.625 176.300 0.078 0.000 1.068 40 M CA 2.119 57.468 55.300 0.081 0.000 1.109 40 M CB -0.243 32.391 32.600 0.056 0.000 1.342 40 M HN 0.163 nan 8.290 nan 0.000 0.405 41 T N 0.461 115.051 114.554 0.060 0.000 2.821 41 T HA -0.105 4.245 4.350 0.001 0.000 0.267 41 T C 1.697 176.416 174.700 0.031 0.000 1.046 41 T CA 1.508 63.627 62.100 0.031 0.000 1.139 41 T CB -0.292 68.592 68.868 0.027 0.000 0.871 41 T HN 0.487 nan 8.240 nan 0.000 0.454 42 R N 0.117 120.674 120.500 0.095 0.000 2.081 42 R HA 0.016 4.357 4.340 0.001 0.000 0.235 42 R C 2.139 178.453 176.300 0.024 0.000 1.131 42 R CA 1.240 57.417 56.100 0.128 0.000 0.960 42 R CB -0.530 29.939 30.300 0.282 0.000 0.856 42 R HN 0.313 nan 8.270 nan 0.000 0.436 43 F N 2.019 121.819 119.950 -0.251 0.000 2.216 43 F HA -0.133 4.395 4.527 0.001 0.000 0.300 43 F C 2.554 178.149 175.800 -0.342 0.000 1.085 43 F CA 1.341 58.951 58.000 -0.649 0.000 1.326 43 F CB -0.085 38.380 39.000 -0.891 0.000 1.027 43 F HN -0.146 nan 8.300 nan 0.000 0.497 44 R N 0.749 121.129 120.500 -0.201 0.000 2.081 44 R HA -0.220 4.120 4.340 0.001 0.000 0.235 44 R C 2.396 178.548 176.300 -0.247 0.000 1.131 44 R CA 1.979 57.956 56.100 -0.206 0.000 0.960 44 R CB -0.457 29.788 30.300 -0.092 0.000 0.856 44 R HN 0.301 nan 8.270 nan 0.000 0.436 45 K N 0.162 120.446 120.400 -0.192 0.000 2.025 45 K HA -0.136 4.184 4.320 0.001 0.000 0.207 45 K C 1.831 178.301 176.600 -0.217 0.000 1.049 45 K CA 1.618 57.809 56.287 -0.159 0.000 0.933 45 K CB 0.069 32.509 32.500 -0.099 0.000 0.714 45 K HN 0.175 nan 8.250 nan 0.000 0.438 46 E N 0.583 120.597 120.200 -0.309 0.000 2.110 46 E HA -0.206 4.144 4.350 0.001 0.000 0.193 46 E C 2.014 178.386 176.600 -0.381 0.000 0.988 46 E CA 1.300 57.506 56.400 -0.323 0.000 0.804 46 E CB -0.210 29.269 29.700 -0.368 0.000 0.745 46 E HN 0.449 nan 8.360 nan 0.000 0.458 47 M N 0.573 119.828 119.600 -0.576 0.000 2.080 47 M HA -0.195 4.285 4.480 0.001 0.000 0.260 47 M C 2.417 178.606 176.300 -0.186 0.000 1.068 47 M CA 1.564 56.619 55.300 -0.409 0.000 1.109 47 M CB -0.213 32.133 32.600 -0.424 0.000 1.342 47 M HN -0.071 nan 8.290 nan 0.000 0.405 48 K N 0.140 120.440 120.400 -0.165 0.000 2.057 48 K HA -0.171 4.149 4.320 0.001 0.000 0.207 48 K C 1.604 178.205 176.600 0.002 0.000 1.049 48 K CA 1.506 57.748 56.287 -0.075 0.000 0.931 48 K CB 0.016 32.472 32.500 -0.073 0.000 0.714 48 K HN 0.263 nan 8.250 nan 0.000 0.440 49 N N 0.320 119.018 118.700 -0.003 0.000 2.120 49 N HA -0.114 4.627 4.740 0.001 0.000 0.188 49 N C 1.789 177.358 175.510 0.098 0.000 1.024 49 N CA 1.405 54.517 53.050 0.102 0.000 0.852 49 N CB -0.763 37.713 38.487 -0.018 0.000 1.003 49 N HN 0.387 nan 8.380 nan 0.000 0.424 50 G N 1.157 109.965 108.800 0.014 0.000 2.446 50 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 50 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 50 G C 1.540 176.458 174.900 0.031 0.000 1.168 50 G CA 0.425 45.535 45.100 0.017 0.000 0.771 50 G HN 0.266 nan 8.290 nan 0.000 0.551 51 L N 0.774 122.011 121.223 0.023 0.000 2.313 51 L HA 0.113 4.453 4.340 0.001 0.000 0.214 51 L C 1.777 178.663 176.870 0.027 0.000 1.119 51 L CA 0.026 54.882 54.840 0.027 0.000 0.809 51 L CB -0.138 41.940 42.059 0.030 0.000 0.933 51 L HN 0.254 nan 8.230 nan 0.000 0.449 52 S N 0.398 116.121 115.700 0.039 0.000 2.549 52 S HA 0.052 4.523 4.470 0.001 0.000 0.279 52 S C 1.480 176.066 174.600 -0.023 0.000 1.321 52 S CA -0.657 57.547 58.200 0.006 0.000 1.054 52 S CB 0.957 64.169 63.200 0.021 0.000 0.899 52 S HN 0.390 nan 8.310 nan 0.000 0.497 53 R N 3.110 123.576 120.500 -0.056 0.000 2.189 53 R HA -0.016 4.324 4.340 0.001 0.000 0.223 53 R C 0.646 176.885 176.300 -0.103 0.000 1.092 53 R CA 1.476 57.541 56.100 -0.058 0.000 0.989 53 R CB -0.374 29.894 30.300 -0.054 0.000 0.876 53 R HN 0.561 nan 8.270 nan 0.000 0.457 54 D N 0.425 120.692 120.400 -0.221 0.000 2.162 54 D HA -0.052 4.589 4.640 0.001 0.000 0.205 54 D C 1.257 177.385 176.300 -0.288 0.000 0.964 54 D CA 1.072 54.862 54.000 -0.351 0.000 0.847 54 D CB -0.022 40.404 40.800 -0.622 0.000 0.988 54 D HN 0.252 nan 8.370 nan 0.000 0.480 55 F N 1.125 121.072 119.950 -0.006 0.000 2.749 55 F HA 0.124 4.652 4.527 0.001 0.000 0.300 55 F C 1.903 177.702 175.800 -0.003 0.000 1.103 55 F CA -0.528 57.469 58.000 -0.006 0.000 1.342 55 F CB -0.721 38.272 39.000 -0.012 0.000 1.098 55 F HN -0.090 nan 8.300 nan 0.000 0.586 56 N N 1.825 120.605 118.700 0.132 0.000 2.061 56 N HA -0.178 4.563 4.740 0.001 0.000 0.193 56 N C -0.927 174.632 175.510 0.082 0.000 1.030 56 N CA 1.709 54.813 53.050 0.090 0.000 0.856 56 N CB -0.897 37.620 38.487 0.049 0.000 1.023 56 N HN 0.112 nan 8.380 nan 0.000 0.424 57 P HA -0.047 nan 4.420 nan 0.000 0.221 57 P C 0.534 177.875 177.300 0.068 0.000 1.145 57 P CA 1.497 64.632 63.100 0.060 0.000 0.795 57 P CB -0.227 31.501 31.700 0.047 0.000 0.775 58 T N -5.020 109.589 114.554 0.092 0.000 3.339 58 T HA 0.609 4.959 4.350 0.001 0.000 0.292 58 T C 0.371 175.111 174.700 0.067 0.000 1.012 58 T CA -0.604 61.542 62.100 0.077 0.000 0.937 58 T CB -0.296 68.620 68.868 0.080 0.000 1.164 58 T HN 0.006 nan 8.240 nan 0.000 0.509 59 A N 1.467 124.331 122.820 0.073 0.000 2.328 59 A HA 0.591 4.911 4.320 0.001 0.000 0.284 59 A C 1.531 179.150 177.584 0.057 0.000 1.160 59 A CA -0.208 51.861 52.037 0.054 0.000 0.818 59 A CB 0.630 19.667 19.000 0.062 0.000 1.087 59 A HN 0.481 nan 8.150 nan 0.000 0.504 60 T N -0.231 114.361 114.554 0.063 0.000 3.014 60 T HA 0.043 4.394 4.350 0.001 0.000 0.263 60 T C 0.464 175.236 174.700 0.120 0.000 1.078 60 T CA 0.840 62.999 62.100 0.097 0.000 1.135 60 T CB -0.265 68.679 68.868 0.126 0.000 0.895 60 T HN 0.256 nan 8.240 nan 0.000 0.480 61 V N 2.661 122.628 119.914 0.089 0.000 2.320 61 V HA 0.277 4.397 4.120 0.001 0.000 0.265 61 V C 1.041 177.169 176.094 0.057 0.000 1.048 61 V CA -0.649 61.706 62.300 0.091 0.000 0.865 61 V CB 0.915 32.731 31.823 -0.012 0.000 1.043 61 V HN 0.377 nan 8.190 nan 0.000 0.474 62 K N 3.839 124.288 120.400 0.082 0.000 2.362 62 K HA 0.055 4.375 4.320 0.001 0.000 0.200 62 K C 0.747 177.377 176.600 0.050 0.000 1.046 62 K CA 0.425 56.749 56.287 0.062 0.000 0.952 62 K CB -0.060 32.480 32.500 0.066 0.000 0.753 62 K HN 0.621 nan 8.250 nan 0.000 0.466 63 M N 0.931 120.565 119.600 0.056 0.000 2.259 63 M HA -0.216 4.265 4.480 0.001 0.000 0.188 63 M C -0.848 175.466 176.300 0.023 0.000 0.665 63 M CA 0.912 56.242 55.300 0.050 0.000 0.464 63 M CB -2.362 30.263 32.600 0.043 0.000 1.063 63 M HN 0.115 nan 8.290 nan 0.000 0.912 64 L N 1.971 123.206 121.223 0.020 0.000 2.410 64 L HA 0.246 4.587 4.340 0.001 0.000 0.273 64 L C -1.561 175.299 176.870 -0.018 0.000 1.144 64 L CA -1.663 53.186 54.840 0.014 0.000 0.863 64 L CB 0.161 42.236 42.059 0.027 0.000 1.140 64 L HN 0.117 nan 8.230 nan 0.000 0.463 65 P HA 0.051 nan 4.420 nan 0.000 0.271 65 P C 0.459 177.754 177.300 -0.008 0.000 1.216 65 P CA -0.221 62.815 63.100 -0.108 0.000 0.771 65 P CB 0.808 32.398 31.700 -0.184 0.000 0.864 66 T N -1.341 113.173 114.554 -0.066 0.000 3.001 66 T HA 0.187 4.538 4.350 0.001 0.000 0.251 66 T C 0.599 175.407 174.700 0.180 0.000 1.040 66 T CA -0.112 62.020 62.100 0.053 0.000 0.985 66 T CB -0.793 68.062 68.868 -0.022 0.000 1.011 66 T HN 0.212 nan 8.240 nan 0.000 0.509 67 F N 0.234 120.156 119.950 -0.046 0.000 2.988 67 F HA -0.158 4.370 4.527 0.001 0.000 0.287 67 F C -0.096 175.680 175.800 -0.039 0.000 0.781 67 F CA 0.010 57.987 58.000 -0.039 0.000 1.221 67 F CB -1.928 37.055 39.000 -0.029 0.000 1.392 67 F HN 0.124 nan 8.300 nan 0.000 0.425 68 V N 0.945 120.858 119.914 -0.001 0.000 2.311 68 V HA 0.300 4.421 4.120 0.001 0.000 0.275 68 V C 0.961 177.020 176.094 -0.060 0.000 1.022 68 V CA -0.298 61.994 62.300 -0.013 0.000 0.830 68 V CB 1.587 33.398 31.823 -0.021 0.000 1.012 68 V HN 0.197 nan 8.190 nan 0.000 0.452 69 R N 2.513 122.986 120.500 -0.045 0.000 2.393 69 R HA 0.348 4.688 4.340 0.001 0.000 0.244 69 R C 0.425 176.694 176.300 -0.052 0.000 0.920 69 R CA 0.119 56.179 56.100 -0.067 0.000 1.076 69 R CB 0.769 31.034 30.300 -0.058 0.000 1.119 69 R HN 0.585 nan 8.270 nan 0.000 0.524 70 S N 0.229 115.906 115.700 -0.038 0.000 2.552 70 S HA 0.359 4.830 4.470 0.001 0.000 0.272 70 S C -0.628 173.960 174.600 -0.019 0.000 1.150 70 S CA -1.119 57.063 58.200 -0.030 0.000 0.849 70 S CB 0.785 63.973 63.200 -0.020 0.000 1.113 70 S HN 0.262 nan 8.310 nan 0.000 0.458 71 I N 0.670 121.230 120.570 -0.016 0.000 2.945 71 I HA 0.600 4.770 4.170 0.001 0.000 0.292 71 I C -2.421 173.705 176.117 0.016 0.000 1.093 71 I CA -2.241 59.060 61.300 0.001 0.000 1.336 71 I CB -0.245 37.755 38.000 -0.001 0.000 1.435 71 I HN 0.354 nan 8.210 nan 0.000 0.593 72 P HA 0.011 nan 4.420 nan 0.000 0.266 72 P C -0.756 176.563 177.300 0.031 0.000 1.193 72 P CA 0.259 63.412 63.100 0.088 0.000 0.770 72 P CB 0.334 32.185 31.700 0.253 0.000 0.836 73 D N 0.217 120.635 120.400 0.030 0.000 2.433 73 D HA 0.161 4.801 4.640 0.001 0.000 0.211 73 D C 1.265 177.558 176.300 -0.012 0.000 1.114 73 D CA 0.270 54.266 54.000 -0.006 0.000 0.837 73 D CB -0.182 40.617 40.800 -0.001 0.000 0.984 73 D HN 0.563 nan 8.370 nan 0.000 0.505 74 G N 0.499 109.312 108.800 0.021 0.000 2.213 74 G HA2 -0.325 3.636 3.960 0.001 0.000 0.226 74 G HA3 -0.325 3.636 3.960 0.001 0.000 0.226 74 G C 1.118 176.064 174.900 0.077 0.000 0.992 74 G CA 0.528 45.638 45.100 0.017 0.000 0.632 74 G HN 0.719 nan 8.290 nan 0.000 0.511 75 S N 0.069 115.815 115.700 0.078 0.000 2.593 75 S HA 0.381 4.852 4.470 0.001 0.000 0.217 75 S C 0.528 175.197 174.600 0.115 0.000 0.966 75 S CA 0.796 59.046 58.200 0.084 0.000 0.914 75 S CB 0.330 63.567 63.200 0.062 0.000 0.776 75 S HN 0.496 nan 8.310 nan 0.000 0.523 76 E N 2.580 122.868 120.200 0.147 0.000 2.360 76 E HA 0.459 4.809 4.350 0.001 0.000 0.269 76 E C -0.122 176.596 176.600 0.196 0.000 1.022 76 E CA 0.031 56.527 56.400 0.161 0.000 0.887 76 E CB 0.616 30.400 29.700 0.140 0.000 0.990 76 E HN 0.614 nan 8.360 nan 0.000 0.426 77 K N 0.697 121.236 120.400 0.231 0.000 2.572 77 K HA 0.733 5.053 4.320 0.001 0.000 0.263 77 K C -0.587 176.138 176.600 0.208 0.000 0.932 77 K CA -0.640 55.776 56.287 0.215 0.000 0.838 77 K CB 1.697 34.296 32.500 0.165 0.000 1.366 77 K HN 0.628 nan 8.250 nan 0.000 0.425 78 G N 1.212 110.012 108.800 0.000 0.000 2.343 78 G HA2 0.228 4.188 3.960 0.001 0.000 0.289 78 G HA3 0.228 4.188 3.960 0.001 0.000 0.289 78 G C -2.203 172.061 174.900 -1.061 0.000 1.295 78 G CA -0.428 44.348 45.100 -0.541 0.000 0.869 78 G HN 0.653 nan 8.290 nan 0.000 0.522 79 D N -0.387 119.123 120.400 -1.484 0.000 2.476 79 D HA 0.677 5.317 4.640 0.001 0.000 0.251 79 D C -1.017 174.678 176.300 -1.009 0.000 1.291 79 D CA -0.333 53.028 54.000 -1.064 0.000 0.939 79 D CB 0.708 40.987 40.800 -0.868 0.000 1.221 79 D HN 0.256 nan 8.370 nan 0.000 0.567 80 F N 1.983 121.843 119.950 -0.151 0.000 2.575 80 F HA 0.602 5.129 4.527 0.001 0.000 0.330 80 F C 0.434 176.199 175.800 -0.057 0.000 1.056 80 F CA -1.084 56.851 58.000 -0.109 0.000 0.964 80 F CB 1.554 40.496 39.000 -0.097 0.000 1.258 80 F HN 0.073 nan 8.300 nan 0.000 0.484 81 I N 1.533 122.191 120.570 0.146 0.000 2.441 81 I HA 0.653 4.824 4.170 0.001 0.000 0.295 81 I C -0.697 175.432 176.117 0.019 0.000 0.994 81 I CA -0.794 60.531 61.300 0.041 0.000 1.144 81 I CB 1.768 39.758 38.000 -0.015 0.000 1.314 81 I HN 0.663 nan 8.210 nan 0.000 0.445 82 A N 7.470 130.267 122.820 -0.039 0.000 2.343 82 A HA 0.812 5.133 4.320 0.001 0.000 0.308 82 A C -0.849 176.722 177.584 -0.021 0.000 1.092 82 A CA -0.498 51.539 52.037 0.000 0.000 0.751 82 A CB 0.972 19.983 19.000 0.019 0.000 1.203 82 A HN 0.651 nan 8.150 nan 0.000 0.452 83 L N 1.284 122.555 121.223 0.079 0.000 2.360 83 L HA 0.617 4.958 4.340 0.001 0.000 0.271 83 L C -0.409 176.676 176.870 0.359 0.000 1.057 83 L CA -0.643 54.301 54.840 0.174 0.000 0.803 83 L CB 1.396 43.527 42.059 0.120 0.000 1.207 83 L HN 0.691 nan 8.230 nan 0.000 0.445 84 D N 2.388 123.052 120.400 0.440 0.000 2.336 84 D HA 0.420 5.061 4.640 0.001 0.000 0.248 84 D C -1.773 174.827 176.300 0.499 0.000 1.326 84 D CA -0.269 53.956 54.000 0.376 0.000 0.973 84 D CB 1.410 42.339 40.800 0.215 0.000 1.255 84 D HN 0.203 nan 8.370 nan 0.000 0.558 85 L N 3.151 124.640 121.223 0.444 0.000 2.385 85 L HA 0.840 5.181 4.340 0.001 0.000 0.273 85 L C 0.960 177.883 176.870 0.088 0.000 0.990 85 L CA 0.505 55.555 54.840 0.349 0.000 0.821 85 L CB 1.842 44.166 42.059 0.442 0.000 1.279 85 L HN 0.602 nan 8.230 nan 0.000 0.412 86 G N 2.400 111.192 108.800 -0.013 0.000 2.480 86 G HA2 -0.092 3.868 3.960 0.001 0.000 0.193 86 G HA3 -0.092 3.868 3.960 0.001 0.000 0.193 86 G C 0.383 175.158 174.900 -0.209 0.000 1.004 86 G CA -0.059 44.779 45.100 -0.437 0.000 0.696 86 G HN 1.111 nan 8.290 nan 0.000 0.478 87 G N 0.525 109.300 108.800 -0.040 0.000 2.531 87 G HA2 0.517 4.477 3.960 0.001 0.000 0.253 87 G HA3 0.517 4.477 3.960 0.001 0.000 0.253 87 G C 1.560 176.521 174.900 0.102 0.000 1.439 87 G CA 1.250 46.352 45.100 0.003 0.000 1.056 87 G HN 1.170 nan 8.290 nan 0.000 0.555 88 S N -1.564 114.180 115.700 0.073 0.000 2.423 88 S HA 0.111 4.582 4.470 0.001 0.000 0.231 88 S C 0.908 175.577 174.600 0.116 0.000 1.014 88 S CA 0.902 59.150 58.200 0.080 0.000 0.965 88 S CB -0.060 63.162 63.200 0.037 0.000 0.785 88 S HN 0.367 nan 8.310 nan 0.000 0.495 89 S N 0.418 116.203 115.700 0.143 0.000 2.536 89 S HA 0.511 4.981 4.470 0.001 0.000 0.287 89 S C -1.174 173.608 174.600 0.303 0.000 1.101 89 S CA -0.834 57.478 58.200 0.187 0.000 0.950 89 S CB 1.397 64.669 63.200 0.120 0.000 1.056 89 S HN 0.455 nan 8.310 nan 0.000 0.481 90 F N 3.876 123.937 119.950 0.184 0.000 2.438 90 F HA 0.445 4.972 4.527 0.001 0.000 0.360 90 F C 0.371 176.296 175.800 0.208 0.000 1.118 90 F CA -0.419 57.716 58.000 0.226 0.000 1.164 90 F CB 0.226 39.393 39.000 0.279 0.000 1.131 90 F HN 0.403 nan 8.300 nan 0.000 0.527 91 R N 6.824 127.428 120.500 0.172 0.000 2.778 91 R HA 0.659 4.999 4.340 0.001 0.000 0.277 91 R C -1.096 175.104 176.300 -0.168 0.000 0.977 91 R CA -1.074 54.999 56.100 -0.045 0.000 0.950 91 R CB 2.595 32.921 30.300 0.044 0.000 1.165 91 R HN 0.661 nan 8.270 nan 0.000 0.474 92 I N 3.674 124.107 120.570 -0.228 0.000 2.498 92 I HA 0.381 4.551 4.170 0.001 0.000 0.290 92 I C -1.166 174.671 176.117 -0.468 0.000 1.032 92 I CA -0.890 60.138 61.300 -0.452 0.000 1.073 92 I CB 1.795 39.331 38.000 -0.773 0.000 1.251 92 I HN 0.266 nan 8.210 nan 0.000 0.426 93 L N 5.594 126.576 121.223 -0.401 0.000 2.350 93 L HA 0.599 4.939 4.340 0.001 0.000 0.260 93 L C -0.302 176.539 176.870 -0.048 0.000 1.015 93 L CA -0.580 54.189 54.840 -0.119 0.000 0.821 93 L CB 1.853 43.904 42.059 -0.015 0.000 1.370 93 L HN 0.490 nan 8.230 nan 0.000 0.416 94 R N 0.980 121.607 120.500 0.211 0.000 2.393 94 R HA 0.818 5.158 4.340 0.001 0.000 0.315 94 R C -1.919 174.477 176.300 0.160 0.000 0.952 94 R CA -0.438 55.799 56.100 0.228 0.000 0.842 94 R CB 1.486 31.981 30.300 0.325 0.000 1.163 94 R HN 0.503 nan 8.270 nan 0.000 0.450 95 V N 5.210 125.205 119.914 0.134 0.000 2.443 95 V HA 0.292 4.413 4.120 0.001 0.000 0.293 95 V C -0.590 175.581 176.094 0.128 0.000 1.021 95 V CA -0.744 61.635 62.300 0.131 0.000 0.848 95 V CB 1.756 33.646 31.823 0.111 0.000 0.998 95 V HN 0.788 nan 8.190 nan 0.000 0.424 96 Q N 3.235 123.104 119.800 0.114 0.000 2.293 96 Q HA 0.706 5.047 4.340 0.001 0.000 0.261 96 Q C -0.731 175.323 176.000 0.091 0.000 0.960 96 Q CA -0.653 55.157 55.803 0.013 0.000 0.882 96 Q CB 2.841 31.613 28.738 0.057 0.000 1.275 96 Q HN 0.711 nan 8.270 nan 0.000 0.445 97 V N 1.001 120.967 119.914 0.088 0.000 2.483 97 V HA 0.366 4.487 4.120 0.001 0.000 0.297 97 V C -0.315 175.876 176.094 0.162 0.000 1.027 97 V CA -0.580 61.793 62.300 0.122 0.000 0.855 97 V CB 1.216 33.094 31.823 0.092 0.000 0.995 97 V HN 1.003 nan 8.190 nan 0.000 0.424 98 N N 2.622 121.427 118.700 0.174 0.000 2.708 98 N HA -0.259 4.481 4.740 0.001 0.000 0.251 98 N C 0.645 176.261 175.510 0.176 0.000 1.017 98 N CA 1.063 54.214 53.050 0.168 0.000 0.742 98 N CB -0.917 37.670 38.487 0.167 0.000 0.943 98 N HN 0.993 nan 8.380 nan 0.000 0.539 99 H N 0.312 119.402 119.070 0.035 0.000 2.551 99 H HA 0.218 4.774 4.556 0.001 0.000 0.266 99 H C 0.431 175.750 175.328 -0.015 0.000 0.964 99 H CA 1.161 57.205 56.048 -0.008 0.000 1.180 99 H CB 0.440 30.177 29.762 -0.043 0.000 1.408 99 H HN 0.617 nan 8.280 nan 0.000 0.563 100 E N -0.351 119.873 120.200 0.040 0.000 2.372 100 E HA 0.201 4.551 4.350 0.001 0.000 0.279 100 E C -1.094 175.523 176.600 0.029 0.000 0.946 100 E CA -1.031 55.361 56.400 -0.013 0.000 0.769 100 E CB 1.417 31.093 29.700 -0.040 0.000 1.230 100 E HN 0.070 nan 8.360 nan 0.000 0.442 101 K N 3.024 123.433 120.400 0.015 0.000 2.436 101 K HA -0.016 4.305 4.320 0.001 0.000 0.275 101 K C 0.082 176.703 176.600 0.035 0.000 0.999 101 K CA 0.778 57.082 56.287 0.028 0.000 0.980 101 K CB 0.162 32.672 32.500 0.017 0.000 0.919 101 K HN 0.794 nan 8.250 nan 0.000 0.484 102 N N 2.233 120.960 118.700 0.045 0.000 2.758 102 N HA -0.237 4.504 4.740 0.001 0.000 0.248 102 N C -1.458 174.090 175.510 0.062 0.000 1.076 102 N CA 0.830 53.909 53.050 0.049 0.000 0.696 102 N CB -0.421 38.087 38.487 0.036 0.000 0.979 102 N HN 0.742 nan 8.380 nan 0.000 0.550 103 Q N 0.335 120.184 119.800 0.081 0.000 2.759 103 Q HA 0.177 4.517 4.340 0.001 0.000 0.225 103 Q C -0.180 175.899 176.000 0.131 0.000 0.823 103 Q CA -0.728 55.137 55.803 0.103 0.000 0.828 103 Q CB 0.544 29.340 28.738 0.096 0.000 1.425 103 Q HN 0.161 nan 8.270 nan 0.000 0.449 104 N N 1.543 120.335 118.700 0.153 0.000 2.004 104 N HA -0.057 4.684 4.740 0.001 0.000 0.196 104 N C 0.541 176.156 175.510 0.174 0.000 1.064 104 N CA 1.374 54.557 53.050 0.221 0.000 0.855 104 N CB -0.104 38.574 38.487 0.318 0.000 1.056 104 N HN 0.355 nan 8.380 nan 0.000 0.423 105 V N 0.022 120.018 119.914 0.137 0.000 2.815 105 V HA 0.286 4.406 4.120 0.001 0.000 0.314 105 V C -0.317 175.866 176.094 0.148 0.000 1.064 105 V CA -0.847 61.506 62.300 0.089 0.000 0.952 105 V CB 2.216 34.027 31.823 -0.020 0.000 1.020 105 V HN 0.480 nan 8.190 nan 0.000 0.439 106 H N 4.525 123.620 119.070 0.041 0.000 2.782 106 H HA 0.658 5.214 4.556 0.001 0.000 0.347 106 H C -1.686 173.665 175.328 0.039 0.000 1.038 106 H CA -0.800 55.274 56.048 0.043 0.000 1.255 106 H CB 1.773 31.567 29.762 0.054 0.000 1.623 106 H HN 0.654 nan 8.280 nan 0.000 0.525 107 M N 3.845 123.286 119.600 -0.265 0.000 2.591 107 M HA 0.358 4.839 4.480 0.001 0.000 0.306 107 M C -0.858 175.328 176.300 -0.190 0.000 1.190 107 M CA -0.879 54.344 55.300 -0.129 0.000 0.889 107 M CB 3.214 35.776 32.600 -0.063 0.000 1.728 107 M HN 0.610 nan 8.290 nan 0.000 0.458 108 E N 0.948 121.138 120.200 -0.017 0.000 2.331 108 E HA 0.757 5.108 4.350 0.001 0.000 0.275 108 E C -1.492 175.182 176.600 0.124 0.000 0.895 108 E CA -0.863 55.552 56.400 0.025 0.000 0.753 108 E CB 2.346 32.081 29.700 0.058 0.000 1.216 108 E HN 0.716 nan 8.360 nan 0.000 0.434 109 S N 1.226 116.989 115.700 0.105 0.000 2.618 109 S HA 0.658 5.129 4.470 0.001 0.000 0.277 109 S C -0.980 173.689 174.600 0.115 0.000 1.138 109 S CA -0.895 57.383 58.200 0.129 0.000 0.844 109 S CB 2.282 65.504 63.200 0.038 0.000 1.127 109 S HN 0.695 nan 8.310 nan 0.000 0.474 110 E N 0.514 120.765 120.200 0.085 0.000 2.304 110 E HA 0.586 4.936 4.350 0.001 0.000 0.277 110 E C -1.804 174.666 176.600 -0.216 0.000 0.898 110 E CA -0.823 55.526 56.400 -0.085 0.000 0.764 110 E CB 2.092 31.753 29.700 -0.065 0.000 1.216 110 E HN 0.595 nan 8.360 nan 0.000 0.419 111 V N 4.343 124.099 119.914 -0.263 0.000 2.481 111 V HA 0.325 4.446 4.120 0.001 0.000 0.286 111 V C -0.887 174.995 176.094 -0.354 0.000 1.042 111 V CA -0.301 61.882 62.300 -0.194 0.000 0.928 111 V CB 0.759 32.537 31.823 -0.075 0.000 0.986 111 V HN 0.605 nan 8.190 nan 0.000 0.462 112 Y N 1.822 122.062 120.300 -0.099 0.000 2.335 112 Y HA 0.346 4.897 4.550 0.001 0.000 0.338 112 Y C 0.309 176.307 175.900 0.164 0.000 0.977 112 Y CA -0.840 57.253 58.100 -0.012 0.000 1.114 112 Y CB 1.383 39.750 38.460 -0.156 0.000 1.182 112 Y HN 0.730 nan 8.280 nan 0.000 0.463 113 D N 1.728 122.282 120.400 0.258 0.000 2.417 113 D HA 0.121 4.762 4.640 0.001 0.000 0.250 113 D C -0.602 175.871 176.300 0.288 0.000 1.166 113 D CA 0.610 54.732 54.000 0.204 0.000 0.881 113 D CB 0.629 41.495 40.800 0.112 0.000 1.164 113 D HN 0.483 nan 8.370 nan 0.000 0.467 114 T N 5.870 120.535 114.554 0.185 0.000 3.226 114 T HA 0.292 4.642 4.350 0.001 0.000 0.378 114 T C -2.362 172.252 174.700 -0.144 0.000 1.380 114 T CA -1.063 61.054 62.100 0.029 0.000 1.396 114 T CB 1.028 70.027 68.868 0.219 0.000 1.044 114 T HN 0.370 nan 8.240 nan 0.000 0.586 115 P HA 0.159 nan 4.420 nan 0.000 0.271 115 P C 1.016 178.143 177.300 -0.288 0.000 1.233 115 P CA -0.238 62.750 63.100 -0.186 0.000 0.789 115 P CB 1.134 32.749 31.700 -0.141 0.000 0.951 116 E N 1.233 121.257 120.200 -0.294 0.000 2.130 116 E HA -0.313 4.038 4.350 0.001 0.000 0.196 116 E C 1.475 177.835 176.600 -0.400 0.000 0.998 116 E CA 1.971 58.109 56.400 -0.436 0.000 0.806 116 E CB -0.219 29.283 29.700 -0.330 0.000 0.738 116 E HN 0.552 nan 8.360 nan 0.000 0.459 117 N N 0.429 118.986 118.700 -0.238 0.000 2.223 117 N HA -0.183 4.557 4.740 0.001 0.000 0.185 117 N C 1.607 176.995 175.510 -0.204 0.000 1.016 117 N CA 1.366 54.317 53.050 -0.165 0.000 0.863 117 N CB -0.282 38.140 38.487 -0.109 0.000 0.983 117 N HN 0.207 nan 8.380 nan 0.000 0.429 118 I N 0.134 120.535 120.570 -0.282 0.000 2.353 118 I HA -0.044 4.126 4.170 0.001 0.000 0.248 118 I C 1.926 177.816 176.117 -0.377 0.000 1.119 118 I CA 0.583 61.697 61.300 -0.310 0.000 1.417 118 I CB -0.859 36.883 38.000 -0.430 0.000 1.078 118 I HN 0.078 nan 8.210 nan 0.000 0.421 119 V N 0.173 119.765 119.914 -0.537 0.000 2.719 119 V HA -0.196 3.924 4.120 0.001 0.000 0.252 119 V C 2.002 177.789 176.094 -0.512 0.000 1.065 119 V CA 1.507 63.335 62.300 -0.787 0.000 1.086 119 V CB -0.812 30.334 31.823 -1.128 0.000 0.700 119 V HN 0.474 nan 8.190 nan 0.000 0.467 120 H N -1.380 117.466 119.070 -0.372 0.000 2.586 120 H HA 0.282 4.838 4.556 0.001 0.000 0.273 120 H C 1.571 176.782 175.328 -0.194 0.000 0.997 120 H CA 0.031 55.916 56.048 -0.272 0.000 1.177 120 H CB 0.545 30.191 29.762 -0.193 0.000 1.471 120 H HN 0.504 nan 8.280 nan 0.000 0.538 121 G N 0.604 109.357 108.800 -0.078 0.000 2.783 121 G HA2 0.106 4.066 3.960 0.001 0.000 0.182 121 G HA3 0.106 4.066 3.960 0.001 0.000 0.182 121 G C 0.128 175.011 174.900 -0.029 0.000 1.516 121 G CA -0.153 44.917 45.100 -0.050 0.000 1.079 121 G HN 0.303 nan 8.290 nan 0.000 0.573 122 S N -1.112 114.587 115.700 -0.000 0.000 2.632 122 S HA 0.481 4.951 4.470 0.001 0.000 0.271 122 S C 1.547 176.196 174.600 0.081 0.000 1.260 122 S CA 0.300 58.530 58.200 0.050 0.000 1.010 122 S CB 1.290 64.524 63.200 0.056 0.000 0.965 122 S HN 0.958 nan 8.310 nan 0.000 0.534 123 G N 1.438 110.340 108.800 0.169 0.000 2.440 123 G HA2 -0.181 3.779 3.960 0.001 0.000 0.218 123 G HA3 -0.181 3.779 3.960 0.001 0.000 0.218 123 G C 1.505 176.593 174.900 0.313 0.000 1.154 123 G CA 0.949 46.229 45.100 0.299 0.000 0.767 123 G HN 0.709 nan 8.290 nan 0.000 0.552 124 S N -0.063 115.765 115.700 0.213 0.000 2.370 124 S HA -0.194 4.276 4.470 0.001 0.000 0.226 124 S C 2.318 177.008 174.600 0.150 0.000 1.033 124 S CA 1.809 60.117 58.200 0.181 0.000 1.011 124 S CB -0.277 62.989 63.200 0.109 0.000 0.852 124 S HN 0.668 nan 8.310 nan 0.000 0.457 125 Q N 0.187 120.042 119.800 0.092 0.000 2.079 125 Q HA -0.126 4.215 4.340 0.001 0.000 0.200 125 Q C 2.166 178.185 176.000 0.032 0.000 0.974 125 Q CA 1.257 57.090 55.803 0.050 0.000 0.840 125 Q CB -0.274 28.470 28.738 0.010 0.000 0.898 125 Q HN 0.423 nan 8.270 nan 0.000 0.430 126 L N 0.172 121.385 121.223 -0.017 0.000 1.976 126 L HA -0.104 4.236 4.340 0.001 0.000 0.209 126 L C 1.884 178.655 176.870 -0.165 0.000 1.071 126 L CA 1.872 56.620 54.840 -0.154 0.000 0.746 126 L CB -0.861 41.013 42.059 -0.309 0.000 0.890 126 L HN 0.331 nan 8.230 nan 0.000 0.432 127 F N -0.209 119.805 119.950 0.106 0.000 2.407 127 F HA -0.138 4.390 4.527 0.001 0.000 0.299 127 F C 2.211 178.044 175.800 0.055 0.000 1.097 127 F CA 0.892 58.935 58.000 0.071 0.000 1.422 127 F CB -0.417 38.615 39.000 0.053 0.000 1.067 127 F HN 0.192 nan 8.300 nan 0.000 0.539 128 D N -0.934 119.584 120.400 0.198 0.000 2.117 128 D HA -0.210 4.431 4.640 0.001 0.000 0.198 128 D C 1.954 178.336 176.300 0.137 0.000 0.982 128 D CA 1.429 55.512 54.000 0.139 0.000 0.828 128 D CB -0.517 40.348 40.800 0.109 0.000 0.967 128 D HN 0.341 nan 8.370 nan 0.000 0.464 129 H N 0.609 119.699 119.070 0.034 0.000 2.353 129 H HA -0.055 4.502 4.556 0.001 0.000 0.300 129 H C 1.888 177.260 175.328 0.074 0.000 1.090 129 H CA 1.348 57.417 56.048 0.035 0.000 1.327 129 H CB -0.143 29.618 29.762 -0.002 0.000 1.383 129 H HN -0.100 nan 8.280 nan 0.000 0.508 130 V N 0.638 120.559 119.914 0.012 0.000 2.358 130 V HA -0.212 3.908 4.120 0.001 0.000 0.246 130 V C 2.746 178.866 176.094 0.044 0.000 1.047 130 V CA 1.553 63.859 62.300 0.011 0.000 1.035 130 V CB -1.264 30.544 31.823 -0.024 0.000 0.658 130 V HN 0.681 nan 8.190 nan 0.000 0.452 131 A N -0.231 122.638 122.820 0.080 0.000 1.933 131 A HA -0.263 4.058 4.320 0.001 0.000 0.218 131 A C 2.288 179.955 177.584 0.138 0.000 1.175 131 A CA 1.963 54.079 52.037 0.132 0.000 0.628 131 A CB -0.454 18.607 19.000 0.102 0.000 0.814 131 A HN 0.638 nan 8.150 nan 0.000 0.444 132 E N -0.567 119.661 120.200 0.047 0.000 2.051 132 E HA -0.196 4.155 4.350 0.001 0.000 0.192 132 E C 1.939 178.483 176.600 -0.094 0.000 0.991 132 E CA 1.651 58.063 56.400 0.021 0.000 0.799 132 E CB -0.277 29.430 29.700 0.013 0.000 0.748 132 E HN 0.615 nan 8.360 nan 0.000 0.449 133 C N 0.604 119.732 119.300 -0.287 0.000 2.440 133 C HA -0.080 4.381 4.460 0.001 0.000 0.278 133 C C 2.558 177.223 174.990 -0.540 0.000 1.295 133 C CA 0.269 58.876 59.018 -0.685 0.000 1.738 133 C CB -0.979 25.931 27.740 -1.383 0.000 1.987 133 C HN 0.532 nan 8.230 nan 0.000 0.492 134 L N 2.166 123.216 121.223 -0.288 0.000 2.093 134 L HA 0.076 4.417 4.340 0.001 0.000 0.208 134 L C 2.364 179.078 176.870 -0.260 0.000 1.085 134 L CA 2.380 57.094 54.840 -0.209 0.000 0.755 134 L CB -1.415 40.582 42.059 -0.105 0.000 0.904 134 L HN 0.307 nan 8.230 nan 0.000 0.435 135 G N -0.838 107.839 108.800 -0.206 0.000 2.433 135 G HA2 -0.387 3.574 3.960 0.001 0.000 0.216 135 G HA3 -0.387 3.574 3.960 0.001 0.000 0.216 135 G C 1.300 176.132 174.900 -0.115 0.000 1.186 135 G CA 0.924 45.877 45.100 -0.244 0.000 0.779 135 G HN 0.539 nan 8.290 nan 0.000 0.543 136 D N -0.646 119.736 120.400 -0.031 0.000 2.116 136 D HA -0.195 4.445 4.640 0.001 0.000 0.193 136 D C 2.046 178.390 176.300 0.073 0.000 0.998 136 D CA 1.066 55.088 54.000 0.038 0.000 0.836 136 D CB -0.298 40.565 40.800 0.105 0.000 0.951 136 D HN 0.236 nan 8.370 nan 0.000 0.449 137 F N 0.411 120.338 119.950 -0.039 0.000 2.095 137 F HA -0.140 4.387 4.527 0.001 0.000 0.298 137 F C 2.221 177.976 175.800 -0.076 0.000 1.104 137 F CA 1.533 59.532 58.000 -0.002 0.000 1.232 137 F CB -0.185 38.796 39.000 -0.031 0.000 0.987 137 F HN 0.013 nan 8.300 nan 0.000 0.475 138 M N -0.466 119.148 119.600 0.024 0.000 2.200 138 M HA -0.166 4.314 4.480 0.001 0.000 0.265 138 M C 2.135 178.356 176.300 -0.131 0.000 1.066 138 M CA 1.582 56.829 55.300 -0.088 0.000 1.127 138 M CB -0.568 31.920 32.600 -0.186 0.000 1.379 138 M HN 0.184 nan 8.290 nan 0.000 0.420 139 E N 0.913 121.048 120.200 -0.108 0.000 2.013 139 E HA -0.230 4.120 4.350 0.001 0.000 0.202 139 E C 1.911 178.457 176.600 -0.090 0.000 1.018 139 E CA 1.654 58.010 56.400 -0.073 0.000 0.834 139 E CB 0.065 29.742 29.700 -0.038 0.000 0.770 139 E HN 0.310 nan 8.360 nan 0.000 0.459 140 K N -0.157 120.179 120.400 -0.107 0.000 2.089 140 K HA -0.205 4.115 4.320 0.001 0.000 0.210 140 K C 2.022 178.520 176.600 -0.169 0.000 1.048 140 K CA 1.636 57.845 56.287 -0.130 0.000 0.926 140 K CB -0.081 32.328 32.500 -0.152 0.000 0.714 140 K HN 0.018 nan 8.250 nan 0.000 0.448 141 R N 0.295 120.653 120.500 -0.238 0.000 2.334 141 R HA 0.074 4.414 4.340 0.001 0.000 0.216 141 R C -0.344 175.876 176.300 -0.133 0.000 0.905 141 R CA -0.057 55.913 56.100 -0.216 0.000 1.064 141 R CB 0.375 30.470 30.300 -0.342 0.000 1.046 141 R HN -0.042 nan 8.270 nan 0.000 0.508 142 K N 0.725 121.061 120.400 -0.107 0.000 3.257 142 K HA -0.154 4.167 4.320 0.001 0.000 0.270 142 K C 0.170 176.734 176.600 -0.060 0.000 0.984 142 K CA 0.778 57.024 56.287 -0.069 0.000 0.739 142 K CB -1.461 31.007 32.500 -0.053 0.000 1.351 142 K HN 0.488 nan 8.250 nan 0.000 0.463 143 I N -3.881 116.650 120.570 -0.066 0.000 4.009 143 I HA 0.129 4.300 4.170 0.001 0.000 0.331 143 I C 1.127 177.224 176.117 -0.034 0.000 1.462 143 I CA -0.721 60.553 61.300 -0.044 0.000 1.117 143 I CB 0.479 38.459 38.000 -0.034 0.000 1.091 143 I HN 0.016 nan 8.210 nan 0.000 0.410 144 K N 1.506 121.885 120.400 -0.036 0.000 2.281 144 K HA -0.105 4.215 4.320 0.001 0.000 0.203 144 K C 0.433 177.043 176.600 0.017 0.000 1.046 144 K CA 1.416 57.694 56.287 -0.014 0.000 0.938 144 K CB -0.045 32.458 32.500 0.004 0.000 0.737 144 K HN 0.490 nan 8.250 nan 0.000 0.458 145 D N -0.189 120.215 120.400 0.006 0.000 2.395 145 D HA 0.014 4.654 4.640 0.001 0.000 0.213 145 D C 0.969 177.270 176.300 0.001 0.000 1.110 145 D CA 0.162 54.168 54.000 0.011 0.000 0.835 145 D CB 0.538 41.342 40.800 0.008 0.000 0.965 145 D HN 0.035 nan 8.370 nan 0.000 0.505 146 K N 0.944 121.337 120.400 -0.011 0.000 2.366 146 K HA 0.019 4.340 4.320 0.001 0.000 0.198 146 K C 0.587 177.165 176.600 -0.037 0.000 1.044 146 K CA 0.060 56.331 56.287 -0.027 0.000 0.973 146 K CB 0.444 32.919 32.500 -0.042 0.000 0.767 146 K HN 0.073 nan 8.250 nan 0.000 0.475 147 K N 0.994 121.380 120.400 -0.022 0.000 3.125 147 K HA -0.132 4.189 4.320 0.001 0.000 0.268 147 K C -0.718 175.830 176.600 -0.088 0.000 1.078 147 K CA 0.164 56.436 56.287 -0.025 0.000 0.775 147 K CB -1.799 30.696 32.500 -0.008 0.000 1.253 147 K HN 0.178 nan 8.250 nan 0.000 0.486 148 L N 1.453 122.621 121.223 -0.092 0.000 2.369 148 L HA 0.185 4.526 4.340 0.001 0.000 0.279 148 L C -1.772 175.041 176.870 -0.094 0.000 1.108 148 L CA -1.930 52.820 54.840 -0.150 0.000 0.852 148 L CB -0.010 41.986 42.059 -0.105 0.000 1.169 148 L HN -0.134 nan 8.230 nan 0.000 0.452 149 P HA -0.011 nan 4.420 nan 0.000 0.264 149 P C -0.630 176.728 177.300 0.097 0.000 1.183 149 P CA 0.004 63.093 63.100 -0.017 0.000 0.763 149 P CB 0.632 32.316 31.700 -0.026 0.000 0.807 150 V N 3.521 123.480 119.914 0.075 0.000 2.472 150 V HA 0.640 4.760 4.120 0.001 0.000 0.290 150 V C 0.876 177.013 176.094 0.072 0.000 1.037 150 V CA -0.303 62.035 62.300 0.063 0.000 0.908 150 V CB 1.545 33.385 31.823 0.028 0.000 0.985 150 V HN 0.706 nan 8.190 nan 0.000 0.454 151 G N 2.837 111.679 108.800 0.069 0.000 2.388 151 G HA2 0.651 4.611 3.960 0.001 0.000 0.330 151 G HA3 0.651 4.611 3.960 0.001 0.000 0.330 151 G C -1.341 173.673 174.900 0.191 0.000 1.142 151 G CA -0.446 44.707 45.100 0.088 0.000 0.908 151 G HN 0.611 nan 8.290 nan 0.000 0.473 152 F N 2.099 122.073 119.950 0.040 0.000 2.445 152 F HA 0.387 4.915 4.527 0.001 0.000 0.348 152 F C -0.083 175.785 175.800 0.114 0.000 1.125 152 F CA -0.830 57.220 58.000 0.083 0.000 0.983 152 F CB 1.812 40.855 39.000 0.072 0.000 1.198 152 F HN 0.317 nan 8.300 nan 0.000 0.436 153 T N 7.097 121.852 114.554 0.336 0.000 2.727 153 T HA 0.220 4.570 4.350 0.001 0.000 0.298 153 T C -0.996 173.744 174.700 0.068 0.000 0.942 153 T CA 0.040 62.212 62.100 0.120 0.000 0.997 153 T CB 0.245 69.175 68.868 0.103 0.000 0.917 153 T HN 0.483 nan 8.240 nan 0.000 0.487 154 F N 4.006 123.750 119.950 -0.342 0.000 2.532 154 F HA 0.318 4.845 4.527 0.001 0.000 0.365 154 F C 0.621 176.270 175.800 -0.251 0.000 1.112 154 F CA -0.933 56.825 58.000 -0.402 0.000 1.082 154 F CB 0.877 39.389 39.000 -0.813 0.000 1.319 154 F HN 0.489 nan 8.300 nan 0.000 0.457 155 S N 4.868 120.177 115.700 -0.652 0.000 4.175 155 S HA 0.403 4.873 4.470 0.001 0.000 0.193 155 S C -0.798 173.014 174.600 -1.314 0.000 1.373 155 S CA -0.168 57.553 58.200 -0.797 0.000 0.908 155 S CB -1.118 61.690 63.200 -0.654 0.000 1.547 155 S HN 0.455 nan 8.310 nan 0.000 0.440 156 F N 0.569 120.194 119.950 -0.543 0.000 2.631 156 F HA 0.515 5.043 4.527 0.001 0.000 0.308 156 F C -2.610 173.038 175.800 -0.254 0.000 1.097 156 F CA -2.604 55.138 58.000 -0.430 0.000 0.952 156 F CB 1.701 40.280 39.000 -0.702 0.000 1.307 156 F HN 0.030 nan 8.300 nan 0.000 0.450 157 P HA 0.124 nan 4.420 nan 0.000 0.266 157 P C -0.873 176.446 177.300 0.031 0.000 1.215 157 P CA 0.116 63.233 63.100 0.029 0.000 0.763 157 P CB 0.518 32.248 31.700 0.050 0.000 0.806 158 C N 3.157 122.480 119.300 0.038 0.000 2.634 158 C HA 0.401 4.862 4.460 0.001 0.000 0.313 158 C C 0.208 175.219 174.990 0.035 0.000 1.198 158 C CA -0.418 58.628 59.018 0.046 0.000 1.605 158 C CB 1.986 29.780 27.740 0.089 0.000 2.196 158 C HN 0.554 nan 8.230 nan 0.000 0.486 159 Q N 2.102 121.914 119.800 0.021 0.000 2.322 159 Q HA 0.377 4.717 4.340 0.001 0.000 0.256 159 Q C -0.981 175.029 176.000 0.018 0.000 0.960 159 Q CA 0.253 56.070 55.803 0.023 0.000 0.934 159 Q CB 0.580 29.323 28.738 0.008 0.000 1.200 159 Q HN 0.724 nan 8.270 nan 0.000 0.435 160 Q N 2.075 121.905 119.800 0.049 0.000 2.310 160 Q HA 0.216 4.557 4.340 0.001 0.000 0.270 160 Q C -0.029 175.968 176.000 -0.004 0.000 1.025 160 Q CA -0.304 55.512 55.803 0.021 0.000 0.772 160 Q CB 2.102 30.889 28.738 0.081 0.000 1.253 160 Q HN 0.889 nan 8.270 nan 0.000 0.450 161 S N 1.697 117.279 115.700 -0.197 0.000 2.511 161 S HA 0.112 4.582 4.470 0.001 0.000 0.214 161 S C 0.261 174.245 174.600 -1.026 0.000 0.997 161 S CA -0.018 57.964 58.200 -0.363 0.000 0.908 161 S CB 0.194 63.277 63.200 -0.196 0.000 0.803 161 S HN 0.592 nan 8.310 nan 0.000 0.504 162 K N -0.674 119.234 120.400 -0.820 0.000 2.555 162 K HA 0.495 4.816 4.320 0.001 0.000 0.279 162 K C -0.025 176.353 176.600 -0.371 0.000 0.986 162 K CA -0.892 54.934 56.287 -0.768 0.000 0.880 162 K CB 0.617 32.872 32.500 -0.408 0.000 1.474 162 K HN -0.083 nan 8.250 nan 0.000 0.433 163 I N 1.322 121.779 120.570 -0.187 0.000 2.423 163 I HA -0.235 3.935 4.170 0.001 0.000 0.254 163 I C 0.816 176.914 176.117 -0.032 0.000 1.151 163 I CA 1.838 63.119 61.300 -0.031 0.000 1.421 163 I CB -0.108 37.908 38.000 0.027 0.000 1.079 163 I HN 0.786 nan 8.210 nan 0.000 0.431 164 D N -0.366 119.998 120.400 -0.059 0.000 2.388 164 D HA 0.034 4.674 4.640 0.001 0.000 0.221 164 D C 0.380 176.649 176.300 -0.051 0.000 1.133 164 D CA -0.099 53.881 54.000 -0.033 0.000 0.831 164 D CB -0.291 40.496 40.800 -0.022 0.000 0.962 164 D HN 0.516 nan 8.370 nan 0.000 0.502 165 E N 0.138 120.292 120.200 -0.075 0.000 2.266 165 E HA 0.602 4.952 4.350 0.001 0.000 0.268 165 E C -1.693 174.871 176.600 -0.061 0.000 0.879 165 E CA -1.113 55.239 56.400 -0.080 0.000 0.762 165 E CB 1.880 31.517 29.700 -0.105 0.000 1.199 165 E HN 0.033 nan 8.360 nan 0.000 0.422 166 A N 5.727 128.508 122.820 -0.065 0.000 2.768 166 A HA 0.364 4.685 4.320 0.001 0.000 0.299 166 A C -0.974 176.575 177.584 -0.057 0.000 1.171 166 A CA -0.561 51.450 52.037 -0.044 0.000 0.759 166 A CB 0.042 19.014 19.000 -0.048 0.000 1.267 166 A HN 0.628 nan 8.150 nan 0.000 0.421 167 I N 2.600 123.146 120.570 -0.041 0.000 2.363 167 I HA 0.108 4.278 4.170 0.001 0.000 0.292 167 I C 0.244 176.339 176.117 -0.037 0.000 1.075 167 I CA -0.588 60.681 61.300 -0.051 0.000 1.333 167 I CB 1.041 39.013 38.000 -0.046 0.000 1.415 167 I HN 0.599 nan 8.210 nan 0.000 0.502 168 L N 8.280 129.465 121.223 -0.064 0.000 2.584 168 L HA 0.044 4.384 4.340 0.001 0.000 0.272 168 L C 0.737 177.534 176.870 -0.122 0.000 1.195 168 L CA 0.992 55.770 54.840 -0.104 0.000 0.920 168 L CB 0.111 41.989 42.059 -0.303 0.000 1.173 168 L HN 0.566 nan 8.230 nan 0.000 0.489 169 I N 2.638 123.159 120.570 -0.081 0.000 2.270 169 I HA -0.012 4.158 4.170 0.001 0.000 0.239 169 I C 0.370 176.438 176.117 -0.082 0.000 1.080 169 I CA 0.801 62.068 61.300 -0.054 0.000 1.383 169 I CB -0.090 37.906 38.000 -0.007 0.000 1.097 169 I HN 0.641 nan 8.210 nan 0.000 0.420 170 T N -1.151 113.347 114.554 -0.094 0.000 2.982 170 T HA 0.248 4.598 4.350 0.001 0.000 0.321 170 T C -1.419 173.252 174.700 -0.049 0.000 1.229 170 T CA -0.577 61.488 62.100 -0.057 0.000 1.044 170 T CB 1.313 70.212 68.868 0.052 0.000 1.184 170 T HN 0.034 nan 8.240 nan 0.000 0.477 171 W N 2.218 123.532 121.300 0.023 0.000 2.150 171 W HA 0.473 5.133 4.660 0.001 0.000 0.341 171 W C 1.118 177.712 176.519 0.125 0.000 1.276 171 W CA -0.029 57.299 57.345 -0.029 0.000 1.238 171 W CB 0.860 30.300 29.460 -0.033 0.000 1.128 171 W HN 0.824 nan 8.180 nan 0.000 0.581 172 T N -1.252 113.641 114.554 0.564 0.000 2.778 172 T HA 0.581 4.931 4.350 0.001 0.000 0.293 172 T C -0.150 174.853 174.700 0.504 0.000 1.144 172 T CA -0.970 61.402 62.100 0.454 0.000 1.010 172 T CB 2.035 71.122 68.868 0.365 0.000 1.325 172 T HN 0.596 nan 8.240 nan 0.000 0.515 173 K N -0.208 120.432 120.400 0.401 0.000 1.939 173 K HA -0.274 4.047 4.320 0.001 0.000 0.165 173 K C 1.382 178.188 176.600 0.344 0.000 1.508 173 K CA 1.427 57.924 56.287 0.350 0.000 0.525 173 K CB -0.883 31.786 32.500 0.282 0.000 0.615 173 K HN 0.703 nan 8.250 nan 0.000 0.888 174 R N 0.148 120.862 120.500 0.357 0.000 2.276 174 R HA 0.134 4.474 4.340 0.001 0.000 0.196 174 R C 0.290 176.751 176.300 0.268 0.000 0.961 174 R CA 0.171 56.438 56.100 0.277 0.000 1.024 174 R CB -0.036 30.348 30.300 0.141 0.000 0.940 174 R HN 0.096 nan 8.270 nan 0.000 0.480 175 F N 1.268 121.235 119.950 0.028 0.000 2.389 175 F HA 0.233 4.761 4.527 0.001 0.000 0.337 175 F C 0.652 176.142 175.800 -0.517 0.000 1.112 175 F CA -0.417 57.363 58.000 -0.367 0.000 1.192 175 F CB 0.869 39.387 39.000 -0.803 0.000 1.185 175 F HN -0.275 nan 8.300 nan 0.000 0.552 176 K N 1.829 121.858 120.400 -0.619 0.000 3.009 176 K HA 0.573 4.893 4.320 0.001 0.000 0.228 176 K C -1.624 174.684 176.600 -0.486 0.000 1.307 176 K CA -0.061 55.884 56.287 -0.569 0.000 0.882 176 K CB 0.302 32.690 32.500 -0.187 0.000 1.275 176 K HN 0.678 nan 8.250 nan 0.000 0.551 177 A N 1.601 123.981 122.820 -0.735 0.000 2.292 177 A HA 0.558 4.878 4.320 0.001 0.000 0.319 177 A C 0.173 177.894 177.584 0.227 0.000 1.206 177 A CA -0.433 51.512 52.037 -0.152 0.000 0.835 177 A CB 0.738 19.663 19.000 -0.126 0.000 1.164 177 A HN 0.624 nan 8.150 nan 0.000 0.505 178 S N 1.853 117.643 115.700 0.150 0.000 2.584 178 S HA 0.450 4.920 4.470 0.001 0.000 0.270 178 S C 1.151 175.885 174.600 0.223 0.000 1.346 178 S CA 0.343 58.655 58.200 0.187 0.000 1.018 178 S CB 0.605 63.868 63.200 0.105 0.000 0.899 178 S HN 2.551 nan 8.310 nan 0.000 0.542 179 G N 0.239 109.151 108.800 0.187 0.000 2.179 179 G HA2 -0.223 3.737 3.960 0.001 0.000 0.257 179 G HA3 -0.223 3.737 3.960 0.001 0.000 0.257 179 G C 0.374 175.378 174.900 0.174 0.000 1.010 179 G CA 0.267 45.458 45.100 0.151 0.000 0.736 179 G HN 1.084 nan 8.290 nan 0.000 0.513 180 V N -0.673 119.385 119.914 0.241 0.000 3.013 180 V HA 0.189 4.310 4.120 0.001 0.000 0.238 180 V C 1.383 177.452 176.094 -0.040 0.000 1.161 180 V CA 0.903 63.310 62.300 0.179 0.000 1.170 180 V CB -0.003 32.085 31.823 0.442 0.000 0.917 180 V HN 0.474 nan 8.190 nan 0.000 0.478 181 E N 1.038 121.181 120.200 -0.095 0.000 2.529 181 E HA 0.270 4.620 4.350 0.001 0.000 0.259 181 E C 1.259 177.818 176.600 -0.068 0.000 0.966 181 E CA 0.952 57.260 56.400 -0.154 0.000 0.937 181 E CB 0.225 29.865 29.700 -0.100 0.000 0.923 181 E HN 0.540 nan 8.360 nan 0.000 0.468 182 G N 1.907 110.662 108.800 -0.075 0.000 2.179 182 G HA2 -0.292 3.668 3.960 0.001 0.000 0.260 182 G HA3 -0.292 3.668 3.960 0.001 0.000 0.260 182 G C 0.165 175.036 174.900 -0.048 0.000 0.977 182 G CA 0.062 45.134 45.100 -0.046 0.000 0.641 182 G HN 0.781 nan 8.290 nan 0.000 0.533 183 A N -0.247 122.536 122.820 -0.062 0.000 2.340 183 A HA 0.637 4.958 4.320 0.001 0.000 0.331 183 A C -0.212 177.310 177.584 -0.103 0.000 1.140 183 A CA 0.082 52.077 52.037 -0.071 0.000 0.801 183 A CB 1.068 20.035 19.000 -0.056 0.000 1.234 183 A HN 0.318 nan 8.150 nan 0.000 0.469 184 D N 1.786 122.119 120.400 -0.112 0.000 2.358 184 D HA 0.144 4.785 4.640 0.001 0.000 0.258 184 D C 1.430 177.606 176.300 -0.208 0.000 1.223 184 D CA 0.302 54.223 54.000 -0.133 0.000 0.886 184 D CB 1.150 41.883 40.800 -0.112 0.000 1.120 184 D HN 0.442 nan 8.370 nan 0.000 0.482 185 V N 2.618 122.377 119.914 -0.259 0.000 2.970 185 V HA -0.129 3.991 4.120 0.001 0.000 0.260 185 V C 1.856 177.736 176.094 -0.357 0.000 1.100 185 V CA 0.863 62.902 62.300 -0.434 0.000 1.122 185 V CB -0.491 30.996 31.823 -0.559 0.000 0.721 185 V HN 0.408 nan 8.190 nan 0.000 0.483 186 V N 0.696 120.497 119.914 -0.187 0.000 2.307 186 V HA -0.202 3.918 4.120 0.001 0.000 0.245 186 V C 2.816 178.811 176.094 -0.164 0.000 1.045 186 V CA 2.523 64.758 62.300 -0.109 0.000 1.024 186 V CB -0.827 30.965 31.823 -0.053 0.000 0.651 186 V HN 0.542 nan 8.190 nan 0.000 0.449 187 K N -0.003 120.294 120.400 -0.172 0.000 2.026 187 K HA -0.103 4.217 4.320 0.001 0.000 0.208 187 K C 2.158 178.629 176.600 -0.215 0.000 1.048 187 K CA 1.364 57.555 56.287 -0.159 0.000 0.929 187 K CB -0.403 32.020 32.500 -0.128 0.000 0.713 187 K HN 0.349 nan 8.250 nan 0.000 0.439 188 L N 0.807 121.829 121.223 -0.334 0.000 2.042 188 L HA -0.209 4.131 4.340 0.001 0.000 0.210 188 L C 2.518 179.129 176.870 -0.432 0.000 1.076 188 L CA 0.625 55.211 54.840 -0.423 0.000 0.749 188 L CB -0.463 41.169 42.059 -0.712 0.000 0.893 188 L HN 0.154 nan 8.230 nan 0.000 0.432 189 L N 0.105 121.012 121.223 -0.527 0.000 2.056 189 L HA -0.165 4.175 4.340 0.001 0.000 0.207 189 L C 2.273 179.060 176.870 -0.139 0.000 1.078 189 L CA 1.714 56.398 54.840 -0.259 0.000 0.749 189 L CB -0.798 41.141 42.059 -0.199 0.000 0.901 189 L HN 0.212 nan 8.230 nan 0.000 0.433 190 N N 0.257 118.872 118.700 -0.142 0.000 2.104 190 N HA -0.258 4.482 4.740 0.001 0.000 0.190 190 N C 1.831 177.282 175.510 -0.098 0.000 1.024 190 N CA 1.651 54.639 53.050 -0.103 0.000 0.853 190 N CB -0.303 38.130 38.487 -0.091 0.000 1.008 190 N HN 0.464 nan 8.380 nan 0.000 0.424 191 K N 0.789 121.128 120.400 -0.102 0.000 2.032 191 K HA -0.058 4.263 4.320 0.001 0.000 0.209 191 K C 1.894 178.461 176.600 -0.056 0.000 1.048 191 K CA 1.472 57.714 56.287 -0.076 0.000 0.927 191 K CB -0.131 32.325 32.500 -0.072 0.000 0.712 191 K HN 0.102 nan 8.250 nan 0.000 0.441 192 A N 1.084 123.882 122.820 -0.037 0.000 1.930 192 A HA -0.081 4.240 4.320 0.001 0.000 0.217 192 A C 2.088 179.645 177.584 -0.045 0.000 1.175 192 A CA 1.332 53.372 52.037 0.004 0.000 0.627 192 A CB -0.486 18.569 19.000 0.092 0.000 0.815 192 A HN 0.372 nan 8.150 nan 0.000 0.443 193 I N -0.599 119.915 120.570 -0.093 0.000 2.202 193 I HA -0.254 3.917 4.170 0.001 0.000 0.242 193 I C 2.556 178.521 176.117 -0.252 0.000 1.091 193 I CA 1.702 62.867 61.300 -0.225 0.000 1.368 193 I CB -0.244 37.612 38.000 -0.241 0.000 1.058 193 I HN 0.350 nan 8.210 nan 0.000 0.410 194 K N 1.526 121.826 120.400 -0.166 0.000 2.020 194 K HA -0.296 4.025 4.320 0.001 0.000 0.212 194 K C 2.247 178.784 176.600 -0.104 0.000 1.050 194 K CA 1.923 58.132 56.287 -0.130 0.000 0.929 194 K CB -0.166 32.281 32.500 -0.089 0.000 0.714 194 K HN 0.127 nan 8.250 nan 0.000 0.443 195 K N 0.303 120.658 120.400 -0.076 0.000 2.089 195 K HA -0.205 4.116 4.320 0.001 0.000 0.210 195 K C 2.130 178.698 176.600 -0.054 0.000 1.048 195 K CA 1.353 57.611 56.287 -0.048 0.000 0.926 195 K CB 0.002 32.487 32.500 -0.024 0.000 0.714 195 K HN 0.064 nan 8.250 nan 0.000 0.448 196 R N -0.723 119.728 120.500 -0.082 0.000 2.080 196 R HA -0.100 4.240 4.340 0.001 0.000 0.236 196 R C 1.885 178.141 176.300 -0.074 0.000 1.137 196 R CA 1.513 57.569 56.100 -0.073 0.000 0.943 196 R CB -1.131 29.091 30.300 -0.128 0.000 0.846 196 R HN 0.629 nan 8.270 nan 0.000 0.431 197 G N 0.568 109.293 108.800 -0.125 0.000 2.162 197 G HA2 -0.296 3.664 3.960 0.001 0.000 0.260 197 G HA3 -0.296 3.664 3.960 0.001 0.000 0.260 197 G C 0.601 175.457 174.900 -0.072 0.000 0.976 197 G CA 0.749 45.792 45.100 -0.094 0.000 0.655 197 G HN 0.328 nan 8.290 nan 0.000 0.533 198 D N -0.842 119.510 120.400 -0.080 0.000 2.213 198 D HA 0.230 4.871 4.640 0.001 0.000 0.205 198 D C 0.902 177.296 176.300 0.157 0.000 0.961 198 D CA 1.700 55.731 54.000 0.052 0.000 0.853 198 D CB 0.111 41.011 40.800 0.167 0.000 0.967 198 D HN 0.821 nan 8.370 nan 0.000 0.496 199 Y N -2.367 117.933 120.300 0.001 0.000 2.677 199 Y HA 0.460 5.011 4.550 0.001 0.000 0.334 199 Y C -1.646 174.253 175.900 -0.001 0.000 1.196 199 Y CA -1.462 56.639 58.100 0.001 0.000 1.059 199 Y CB 0.595 39.058 38.460 0.005 0.000 1.315 199 Y HN -0.370 nan 8.280 nan 0.000 0.455 200 D N 1.153 121.672 120.400 0.197 0.000 2.181 200 D HA 0.690 5.331 4.640 0.001 0.000 0.248 200 D C -1.016 175.426 176.300 0.235 0.000 1.020 200 D CA -0.267 53.794 54.000 0.101 0.000 0.891 200 D CB 1.993 42.828 40.800 0.059 0.000 1.187 200 D HN 0.920 nan 8.370 nan 0.000 0.443 201 A N 1.574 124.483 122.820 0.148 0.000 2.408 201 A HA 0.367 4.688 4.320 0.001 0.000 0.295 201 A C -0.890 176.737 177.584 0.072 0.000 1.040 201 A CA -0.833 51.296 52.037 0.153 0.000 0.707 201 A CB 1.044 20.184 19.000 0.234 0.000 1.235 201 A HN 0.344 nan 8.150 nan 0.000 0.418 202 N N 2.781 121.521 118.700 0.066 0.000 2.645 202 N HA 0.304 5.045 4.740 0.001 0.000 0.233 202 N C -0.940 174.607 175.510 0.063 0.000 1.058 202 N CA -0.316 52.772 53.050 0.063 0.000 0.942 202 N CB -0.064 38.476 38.487 0.088 0.000 1.210 202 N HN 0.560 nan 8.380 nan 0.000 0.512 203 I N 3.791 124.387 120.570 0.043 0.000 2.372 203 I HA -0.029 4.142 4.170 0.001 0.000 0.298 203 I C 1.449 177.602 176.117 0.060 0.000 1.137 203 I CA -0.327 61.001 61.300 0.046 0.000 1.314 203 I CB 0.608 38.621 38.000 0.023 0.000 1.444 203 I HN 0.411 nan 8.210 nan 0.000 0.541 204 V N 3.282 123.244 119.914 0.080 0.000 3.647 204 V HA 0.566 4.686 4.120 0.001 0.000 0.279 204 V C 0.662 176.790 176.094 0.057 0.000 1.314 204 V CA 0.349 62.696 62.300 0.078 0.000 1.125 204 V CB -0.222 31.681 31.823 0.133 0.000 0.907 204 V HN 0.651 nan 8.190 nan 0.000 0.434 205 A N -0.413 122.447 122.820 0.067 0.000 2.577 205 A HA 0.764 5.085 4.320 0.001 0.000 0.297 205 A C -1.195 176.449 177.584 0.100 0.000 1.060 205 A CA -0.339 51.733 52.037 0.057 0.000 0.697 205 A CB 1.866 20.884 19.000 0.030 0.000 1.281 205 A HN 0.490 nan 8.150 nan 0.000 0.402 206 V N 1.622 121.579 119.914 0.072 0.000 2.604 206 V HA 0.804 4.924 4.120 0.001 0.000 0.305 206 V C -0.182 175.931 176.094 0.031 0.000 1.043 206 V CA -0.488 61.850 62.300 0.062 0.000 0.888 206 V CB 1.494 33.322 31.823 0.008 0.000 0.995 206 V HN 1.502 nan 8.190 nan 0.000 0.429 207 V N 0.628 120.551 119.914 0.016 0.000 3.049 207 V HA 0.611 4.732 4.120 0.001 0.000 0.309 207 V C -0.385 175.694 176.094 -0.024 0.000 1.148 207 V CA -0.871 61.431 62.300 0.002 0.000 0.990 207 V CB 1.914 33.738 31.823 0.001 0.000 1.039 207 V HN 0.849 nan 8.190 nan 0.000 0.430 208 N N 1.608 120.282 118.700 -0.043 0.000 2.467 208 N HA 0.058 4.798 4.740 0.001 0.000 0.262 208 N C 0.510 175.965 175.510 -0.092 0.000 1.234 208 N CA 0.288 53.285 53.050 -0.089 0.000 0.952 208 N CB 1.603 40.035 38.487 -0.092 0.000 1.158 208 N HN 1.017 nan 8.380 nan 0.000 0.463 209 D N 0.451 120.775 120.400 -0.127 0.000 2.264 209 D HA -0.165 4.476 4.640 0.001 0.000 0.208 209 D C 1.617 177.863 176.300 -0.090 0.000 0.966 209 D CA 1.533 55.474 54.000 -0.099 0.000 0.864 209 D CB -0.705 40.024 40.800 -0.118 0.000 0.933 209 D HN 0.681 nan 8.370 nan 0.000 0.499 210 T N -1.272 113.215 114.554 -0.110 0.000 2.777 210 T HA -0.102 4.248 4.350 0.001 0.000 0.266 210 T C 2.206 176.860 174.700 -0.076 0.000 1.040 210 T CA 1.192 63.226 62.100 -0.109 0.000 1.141 210 T CB -0.877 67.902 68.868 -0.148 0.000 0.868 210 T HN 0.063 nan 8.240 nan 0.000 0.444 211 V N 1.989 121.862 119.914 -0.069 0.000 2.358 211 V HA 0.036 4.156 4.120 0.001 0.000 0.246 211 V C 3.092 179.164 176.094 -0.036 0.000 1.047 211 V CA 1.743 64.012 62.300 -0.051 0.000 1.035 211 V CB -1.472 30.322 31.823 -0.048 0.000 0.658 211 V HN 0.684 nan 8.190 nan 0.000 0.452 212 G N -0.167 108.612 108.800 -0.034 0.000 2.421 212 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 212 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 212 G C 1.694 176.584 174.900 -0.017 0.000 1.171 212 G CA 1.601 46.687 45.100 -0.023 0.000 0.775 212 G HN 0.466 nan 8.290 nan 0.000 0.543 213 T N 1.029 115.570 114.554 -0.021 0.000 2.684 213 T HA -0.198 4.152 4.350 0.001 0.000 0.267 213 T C 2.262 176.963 174.700 0.003 0.000 1.036 213 T CA 1.498 63.592 62.100 -0.010 0.000 1.148 213 T CB -0.256 68.596 68.868 -0.027 0.000 0.863 213 T HN 0.247 nan 8.240 nan 0.000 0.436 214 M N 0.237 119.833 119.600 -0.007 0.000 2.108 214 M HA -0.111 4.370 4.480 0.001 0.000 0.261 214 M C 1.948 178.258 176.300 0.017 0.000 1.066 214 M CA 1.635 56.937 55.300 0.004 0.000 1.107 214 M CB -0.201 32.393 32.600 -0.009 0.000 1.356 214 M HN 0.154 nan 8.290 nan 0.000 0.406 215 M N -0.734 118.871 119.600 0.010 0.000 2.200 215 M HA -0.092 4.388 4.480 0.001 0.000 0.265 215 M C 2.053 178.385 176.300 0.053 0.000 1.066 215 M CA 1.512 56.826 55.300 0.024 0.000 1.127 215 M CB -1.651 30.949 32.600 -0.001 0.000 1.379 215 M HN 0.265 nan 8.290 nan 0.000 0.420 216 T N 0.581 115.155 114.554 0.033 0.000 2.708 216 T HA -0.152 4.198 4.350 0.001 0.000 0.266 216 T C 2.001 176.760 174.700 0.099 0.000 1.037 216 T CA 1.610 63.736 62.100 0.044 0.000 1.146 216 T CB -0.380 68.503 68.868 0.025 0.000 0.865 216 T HN 0.424 nan 8.240 nan 0.000 0.435 217 C N 1.272 120.619 119.300 0.078 0.000 2.446 217 C HA 0.173 4.633 4.460 0.001 0.000 0.279 217 C C 3.029 178.072 174.990 0.088 0.000 1.366 217 C CA 0.009 59.078 59.018 0.086 0.000 1.763 217 C CB -1.489 26.291 27.740 0.068 0.000 1.929 217 C HN 0.719 nan 8.230 nan 0.000 0.509 218 G N -1.258 107.591 108.800 0.083 0.000 2.448 218 G HA2 -0.232 3.728 3.960 0.001 0.000 0.218 218 G HA3 -0.232 3.728 3.960 0.001 0.000 0.218 218 G C 1.336 176.281 174.900 0.075 0.000 1.135 218 G CA 0.485 45.621 45.100 0.060 0.000 0.784 218 G HN 0.598 nan 8.290 nan 0.000 0.543 219 Y N 1.439 121.740 120.300 0.001 0.000 2.224 219 Y HA -0.107 4.443 4.550 0.001 0.000 0.289 219 Y C 2.233 178.139 175.900 0.011 0.000 1.146 219 Y CA 1.930 60.033 58.100 0.005 0.000 1.182 219 Y CB 0.272 38.739 38.460 0.012 0.000 0.983 219 Y HN 0.174 nan 8.280 nan 0.000 0.524 220 D N -0.678 119.776 120.400 0.090 0.000 2.162 220 D HA -0.052 4.588 4.640 0.001 0.000 0.205 220 D C -0.014 176.281 176.300 -0.008 0.000 0.964 220 D CA 1.094 55.110 54.000 0.027 0.000 0.847 220 D CB -0.094 40.760 40.800 0.090 0.000 0.988 220 D HN 0.238 nan 8.370 nan 0.000 0.480 221 D N 0.280 120.689 120.400 0.014 0.000 2.408 221 D HA 0.058 4.699 4.640 0.001 0.000 0.243 221 D C 0.725 177.005 176.300 -0.032 0.000 1.075 221 D CA -0.294 53.716 54.000 0.015 0.000 0.832 221 D CB 1.404 42.241 40.800 0.062 0.000 1.162 221 D HN 0.002 nan 8.370 nan 0.000 0.515 222 Q N 2.456 122.179 119.800 -0.128 0.000 2.472 222 Q HA -0.051 4.289 4.340 0.001 0.000 0.208 222 Q C 0.317 176.129 176.000 -0.314 0.000 0.958 222 Q CA 0.895 56.559 55.803 -0.232 0.000 0.932 222 Q CB 0.070 28.636 28.738 -0.288 0.000 1.007 222 Q HN 0.489 nan 8.270 nan 0.000 0.508 223 H N -0.262 118.797 119.070 -0.017 0.000 2.526 223 H HA 0.140 4.696 4.556 0.001 0.000 0.274 223 H C 0.056 175.373 175.328 -0.018 0.000 0.999 223 H CA -0.366 55.671 56.048 -0.019 0.000 1.157 223 H CB 0.168 29.915 29.762 -0.026 0.000 1.407 223 H HN 0.266 nan 8.280 nan 0.000 0.568 224 C N 2.129 121.463 119.300 0.057 0.000 2.566 224 C HA 0.100 4.561 4.460 0.001 0.000 0.393 224 C C 1.322 176.331 174.990 0.032 0.000 1.309 224 C CA 0.092 59.134 59.018 0.041 0.000 1.801 224 C CB -0.460 27.301 27.740 0.034 0.000 2.493 224 C HN 0.551 nan 8.230 nan 0.000 0.575 225 E N 2.919 123.142 120.200 0.039 0.000 2.641 225 E HA 0.220 4.571 4.350 0.001 0.000 0.224 225 E C -0.545 176.098 176.600 0.073 0.000 0.951 225 E CA 0.087 56.517 56.400 0.050 0.000 1.102 225 E CB 1.193 30.934 29.700 0.069 0.000 1.091 225 E HN 0.564 nan 8.360 nan 0.000 0.507 226 V N 0.284 120.235 119.914 0.061 0.000 2.876 226 V HA 0.641 4.761 4.120 0.001 0.000 0.312 226 V C -0.115 176.000 176.094 0.035 0.000 1.085 226 V CA -0.984 61.360 62.300 0.075 0.000 0.945 226 V CB 2.063 33.938 31.823 0.087 0.000 1.017 226 V HN 0.138 nan 8.190 nan 0.000 0.428 227 G N 2.540 111.343 108.800 0.006 0.000 2.530 227 G HA2 0.673 4.633 3.960 0.001 0.000 0.316 227 G HA3 0.673 4.633 3.960 0.001 0.000 0.316 227 G C -1.789 173.069 174.900 -0.070 0.000 1.298 227 G CA -0.461 44.623 45.100 -0.027 0.000 0.948 227 G HN 0.588 nan 8.290 nan 0.000 0.486 228 L N 3.333 124.520 121.223 -0.059 0.000 2.385 228 L HA 0.700 5.040 4.340 0.001 0.000 0.273 228 L C -1.209 175.592 176.870 -0.115 0.000 0.990 228 L CA -0.954 53.831 54.840 -0.093 0.000 0.821 228 L CB 1.685 43.765 42.059 0.035 0.000 1.279 228 L HN 0.321 nan 8.230 nan 0.000 0.412 229 I N 6.633 127.130 120.570 -0.121 0.000 2.433 229 I HA 0.407 4.578 4.170 0.001 0.000 0.292 229 I C -0.315 175.776 176.117 -0.042 0.000 1.001 229 I CA -0.318 60.926 61.300 -0.094 0.000 1.119 229 I CB 1.744 39.688 38.000 -0.093 0.000 1.289 229 I HN 0.606 nan 8.210 nan 0.000 0.438 230 I N 5.556 126.087 120.570 -0.065 0.000 2.871 230 I HA 0.363 4.534 4.170 0.001 0.000 0.284 230 I C 0.562 176.633 176.117 -0.077 0.000 1.390 230 I CA -0.058 61.209 61.300 -0.056 0.000 0.958 230 I CB 1.223 39.160 38.000 -0.105 0.000 1.618 230 I HN 0.708 nan 8.210 nan 0.000 0.595 231 G N 1.080 109.852 108.800 -0.048 0.000 3.392 231 G HA2 0.170 4.131 3.960 0.001 0.000 0.185 231 G HA3 0.170 4.131 3.960 0.001 0.000 0.185 231 G C 0.734 175.610 174.900 -0.039 0.000 1.206 231 G CA 0.259 45.331 45.100 -0.047 0.000 0.776 231 G HN 0.176 nan 8.290 nan 0.000 0.697 232 T N 0.525 115.060 114.554 -0.032 0.000 2.684 232 T HA 0.095 4.446 4.350 0.001 0.000 0.267 232 T C 1.256 175.958 174.700 0.004 0.000 1.036 232 T CA 1.680 63.759 62.100 -0.034 0.000 1.148 232 T CB -0.498 68.361 68.868 -0.016 0.000 0.863 232 T HN 0.649 nan 8.240 nan 0.000 0.436 233 G N -0.683 108.136 108.800 0.032 0.000 2.932 233 G HA2 0.564 4.524 3.960 0.001 0.000 0.283 233 G HA3 0.564 4.524 3.960 0.001 0.000 0.283 233 G C -1.077 173.883 174.900 0.100 0.000 1.336 233 G CA -0.365 44.800 45.100 0.108 0.000 1.056 233 G HN 0.235 nan 8.290 nan 0.000 0.522 234 T N -1.080 113.583 114.554 0.181 0.000 2.909 234 T HA 0.622 4.972 4.350 0.001 0.000 0.299 234 T C -1.158 173.738 174.700 0.328 0.000 1.073 234 T CA -0.655 61.605 62.100 0.266 0.000 0.999 234 T CB 1.901 70.984 68.868 0.360 0.000 1.098 234 T HN 0.803 nan 8.240 nan 0.000 0.477 235 N N 0.995 119.723 118.700 0.046 0.000 3.348 235 N HA 0.708 5.448 4.740 0.001 0.000 0.233 235 N C -2.066 172.867 175.510 -0.962 0.000 1.440 235 N CA 0.019 52.744 53.050 -0.543 0.000 0.887 235 N CB 1.674 40.021 38.487 -0.234 0.000 1.410 235 N HN 1.045 nan 8.380 nan 0.000 0.502 236 A N 0.014 122.143 122.820 -1.152 0.000 2.549 236 A HA 0.716 5.036 4.320 0.001 0.000 0.297 236 A C -0.623 176.751 177.584 -0.350 0.000 1.061 236 A CA -0.466 51.090 52.037 -0.801 0.000 0.690 236 A CB 0.123 18.360 19.000 -1.271 0.000 1.287 236 A HN 1.214 nan 8.150 nan 0.000 0.402 237 C N 0.092 119.299 119.300 -0.156 0.000 2.667 237 C HA 1.057 5.517 4.460 0.001 0.000 0.323 237 C C -0.738 174.320 174.990 0.113 0.000 1.214 237 C CA -0.945 58.059 59.018 -0.023 0.000 1.721 237 C CB 0.374 28.067 27.740 -0.078 0.000 2.275 237 C HN 1.616 nan 8.230 nan 0.000 0.491 238 Y N 0.102 120.368 120.300 -0.056 0.000 2.638 238 Y HA 0.724 5.274 4.550 0.001 0.000 0.335 238 Y C -0.852 175.035 175.900 -0.023 0.000 1.155 238 Y CA -1.555 56.529 58.100 -0.028 0.000 1.046 238 Y CB 1.048 39.507 38.460 -0.001 0.000 1.303 238 Y HN 0.606 nan 8.280 nan 0.000 0.460 239 M N 3.160 122.665 119.600 -0.159 0.000 2.143 239 M HA 0.266 4.746 4.480 0.001 0.000 0.348 239 M C -0.492 175.674 176.300 -0.225 0.000 1.375 239 M CA 0.083 55.251 55.300 -0.220 0.000 1.124 239 M CB 0.304 32.861 32.600 -0.072 0.000 1.669 239 M HN 0.810 nan 8.290 nan 0.000 0.469 240 E N 2.569 122.555 120.200 -0.357 0.000 2.232 240 E HA 0.336 4.686 4.350 0.001 0.000 0.265 240 E C -0.717 175.841 176.600 -0.069 0.000 1.001 240 E CA -0.390 55.928 56.400 -0.136 0.000 0.870 240 E CB 1.049 30.625 29.700 -0.206 0.000 1.175 240 E HN 0.348 nan 8.360 nan 0.000 0.407 241 E N 3.259 123.457 120.200 -0.003 0.000 2.289 241 E HA 0.039 4.390 4.350 0.001 0.000 0.278 241 E C 0.862 177.380 176.600 -0.137 0.000 1.032 241 E CA -0.311 56.028 56.400 -0.100 0.000 0.854 241 E CB 0.823 30.404 29.700 -0.199 0.000 1.046 241 E HN 0.521 nan 8.360 nan 0.000 0.409 242 L N 3.028 124.168 121.223 -0.137 0.000 2.079 242 L HA -0.222 4.119 4.340 0.001 0.000 0.210 242 L C 2.377 179.172 176.870 -0.124 0.000 1.081 242 L CA 1.834 56.599 54.840 -0.125 0.000 0.752 242 L CB -0.636 41.356 42.059 -0.112 0.000 0.896 242 L HN 0.603 nan 8.230 nan 0.000 0.433 243 R N -1.360 119.027 120.500 -0.188 0.000 2.193 243 R HA -0.176 4.165 4.340 0.001 0.000 0.229 243 R C 1.476 177.700 176.300 -0.127 0.000 1.110 243 R CA 1.260 57.248 56.100 -0.187 0.000 0.988 243 R CB -0.468 29.683 30.300 -0.248 0.000 0.871 243 R HN 0.417 nan 8.270 nan 0.000 0.458 244 H N 0.518 119.575 119.070 -0.021 0.000 2.553 244 H HA 0.285 4.842 4.556 0.001 0.000 0.265 244 H C 0.340 175.655 175.328 -0.021 0.000 0.964 244 H CA -0.052 55.989 56.048 -0.012 0.000 1.156 244 H CB 0.356 30.123 29.762 0.007 0.000 1.411 244 H HN 0.154 nan 8.280 nan 0.000 0.558 245 I N 2.053 122.655 120.570 0.054 0.000 2.268 245 I HA 0.022 4.192 4.170 0.001 0.000 0.290 245 I C 0.495 176.606 176.117 -0.010 0.000 1.125 245 I CA -0.257 61.044 61.300 0.002 0.000 1.236 245 I CB 0.901 38.864 38.000 -0.063 0.000 1.469 245 I HN -0.166 nan 8.210 nan 0.000 0.512 246 D N 3.860 124.265 120.400 0.007 0.000 2.182 246 D HA -0.140 4.500 4.640 0.001 0.000 0.201 246 D C 1.872 178.167 176.300 -0.008 0.000 0.986 246 D CA 1.589 55.588 54.000 -0.002 0.000 0.847 246 D CB 0.159 40.956 40.800 -0.006 0.000 0.942 246 D HN 0.505 nan 8.370 nan 0.000 0.467 247 L N 0.119 121.338 121.223 -0.007 0.000 2.627 247 L HA 0.089 4.429 4.340 0.001 0.000 0.233 247 L C -0.080 176.795 176.870 0.008 0.000 1.144 247 L CA -0.053 54.789 54.840 0.003 0.000 0.892 247 L CB 0.365 42.432 42.059 0.013 0.000 1.039 247 L HN -0.206 nan 8.230 nan 0.000 0.442 248 V N -0.366 119.534 119.914 -0.022 0.000 2.444 248 V HA 0.203 4.324 4.120 0.001 0.000 0.294 248 V C -0.013 176.066 176.094 -0.025 0.000 1.022 248 V CA -0.872 61.409 62.300 -0.033 0.000 0.850 248 V CB 1.963 33.693 31.823 -0.155 0.000 0.992 248 V HN 0.040 nan 8.190 nan 0.000 0.426 249 E N 3.336 123.540 120.200 0.007 0.000 2.376 249 E HA 0.521 4.871 4.350 0.001 0.000 0.266 249 E C 0.275 176.866 176.600 -0.015 0.000 1.009 249 E CA 1.370 57.769 56.400 -0.001 0.000 0.902 249 E CB 0.759 30.466 29.700 0.011 0.000 0.972 249 E HN 1.155 nan 8.360 nan 0.000 0.439 250 G N 3.581 112.367 108.800 -0.023 0.000 2.465 250 G HA2 -0.032 3.929 3.960 0.001 0.000 0.681 250 G HA3 -0.032 3.929 3.960 0.001 0.000 0.681 250 G C -0.634 174.239 174.900 -0.045 0.000 1.340 250 G CA -0.288 44.794 45.100 -0.030 0.000 0.884 250 G HN 0.513 nan 8.290 nan 0.000 0.650 251 D N 0.005 120.378 120.400 -0.046 0.000 2.503 251 D HA 0.181 4.822 4.640 0.001 0.000 0.218 251 D C 0.457 176.716 176.300 -0.068 0.000 1.183 251 D CA 0.263 54.225 54.000 -0.063 0.000 0.827 251 D CB 0.913 41.682 40.800 -0.052 0.000 1.034 251 D HN 0.619 nan 8.370 nan 0.000 0.510 252 E N 1.130 121.297 120.200 -0.055 0.000 2.070 252 E HA 0.476 4.827 4.350 0.001 0.000 0.282 252 E C 1.125 177.690 176.600 -0.057 0.000 1.104 252 E CA -0.607 55.765 56.400 -0.047 0.000 0.876 252 E CB 0.333 30.015 29.700 -0.030 0.000 1.055 252 E HN 0.118 nan 8.360 nan 0.000 0.401 253 G N 3.023 111.789 108.800 -0.058 0.000 2.598 253 G HA2 -0.280 3.680 3.960 0.001 0.000 0.244 253 G HA3 -0.280 3.680 3.960 0.001 0.000 0.244 253 G C -0.512 174.341 174.900 -0.078 0.000 1.302 253 G CA -0.235 44.830 45.100 -0.059 0.000 0.903 253 G HN 0.634 nan 8.290 nan 0.000 0.575 254 R N -1.058 119.395 120.500 -0.078 0.000 2.892 254 R HA 0.810 5.151 4.340 0.001 0.000 0.265 254 R C 0.035 176.260 176.300 -0.125 0.000 1.025 254 R CA -0.759 55.283 56.100 -0.096 0.000 0.982 254 R CB 1.950 32.205 30.300 -0.076 0.000 1.185 254 R HN 0.773 nan 8.270 nan 0.000 0.484 255 M N 1.053 120.555 119.600 -0.164 0.000 2.365 255 M HA 0.251 4.732 4.480 0.001 0.000 0.287 255 M C -1.325 174.829 176.300 -0.244 0.000 1.154 255 M CA -0.640 54.537 55.300 -0.205 0.000 0.941 255 M CB 1.906 34.343 32.600 -0.273 0.000 1.704 255 M HN 0.811 nan 8.290 nan 0.000 0.479 256 C N 5.702 124.870 119.300 -0.219 0.000 2.653 256 C HA 0.424 4.884 4.460 0.001 0.000 0.421 256 C C -0.192 174.633 174.990 -0.276 0.000 1.334 256 C CA -0.236 58.634 59.018 -0.248 0.000 1.885 256 C CB -0.624 27.023 27.740 -0.155 0.000 2.645 256 C HN 0.678 nan 8.230 nan 0.000 0.601 257 I N 6.251 126.592 120.570 -0.382 0.000 2.378 257 I HA 0.267 4.437 4.170 0.001 0.000 0.291 257 I C 0.012 176.041 176.117 -0.147 0.000 0.992 257 I CA -0.079 61.055 61.300 -0.277 0.000 1.154 257 I CB 1.349 39.138 38.000 -0.352 0.000 1.315 257 I HN 0.731 nan 8.210 nan 0.000 0.448 258 N N 4.057 122.714 118.700 -0.070 0.000 2.420 258 N HA 0.080 4.820 4.740 0.001 0.000 0.249 258 N C 1.146 176.664 175.510 0.014 0.000 1.033 258 N CA -0.067 52.959 53.050 -0.040 0.000 0.944 258 N CB 0.990 39.453 38.487 -0.041 0.000 1.113 258 N HN 0.704 nan 8.380 nan 0.000 0.502 259 T N 0.286 114.869 114.554 0.048 0.000 2.821 259 T HA -0.087 4.264 4.350 0.001 0.000 0.267 259 T C 0.111 174.896 174.700 0.142 0.000 1.046 259 T CA 0.658 62.840 62.100 0.137 0.000 1.139 259 T CB -0.325 68.701 68.868 0.263 0.000 0.871 259 T HN 0.599 nan 8.240 nan 0.000 0.454 260 E N 0.621 120.871 120.200 0.084 0.000 2.320 260 E HA -0.151 4.199 4.350 0.001 0.000 0.234 260 E C 0.213 176.996 176.600 0.305 0.000 1.183 260 E CA 0.753 57.233 56.400 0.134 0.000 0.713 260 E CB -1.854 27.913 29.700 0.112 0.000 1.226 260 E HN 0.974 nan 8.360 nan 0.000 0.382 261 W N -0.645 120.763 121.300 0.181 0.000 2.611 261 W HA 0.145 4.805 4.660 0.001 0.000 0.251 261 W C 1.552 178.217 176.519 0.243 0.000 1.265 261 W CA 0.766 58.226 57.345 0.193 0.000 1.295 261 W CB -1.290 28.154 29.460 -0.026 0.000 1.129 261 W HN 0.139 nan 8.180 nan 0.000 0.630 262 G N 1.172 110.383 108.800 0.686 0.000 2.448 262 G HA2 -0.104 3.856 3.960 0.001 0.000 0.219 262 G HA3 -0.104 3.856 3.960 0.001 0.000 0.219 262 G C 1.674 176.819 174.900 0.408 0.000 1.127 262 G CA 1.429 46.863 45.100 0.555 0.000 0.766 262 G HN 0.477 nan 8.290 nan 0.000 0.552 263 A N -0.102 122.924 122.820 0.344 0.000 2.238 263 A HA 0.414 4.734 4.320 0.001 0.000 0.208 263 A C 0.769 178.535 177.584 0.303 0.000 1.177 263 A CA -0.728 51.466 52.037 0.263 0.000 0.804 263 A CB -0.466 18.657 19.000 0.205 0.000 0.823 263 A HN 0.390 nan 8.150 nan 0.000 0.482 264 F N 0.635 120.682 119.950 0.161 0.000 2.608 264 F HA 0.338 4.865 4.527 0.001 0.000 0.380 264 F C 1.366 177.222 175.800 0.093 0.000 1.083 264 F CA 0.989 59.043 58.000 0.090 0.000 1.266 264 F CB 0.444 39.408 39.000 -0.061 0.000 1.076 264 F HN 0.359 nan 8.300 nan 0.000 0.574 265 G N 3.996 112.793 108.800 -0.005 0.000 2.176 265 G HA2 -0.339 3.622 3.960 0.001 0.000 0.253 265 G HA3 -0.339 3.622 3.960 0.001 0.000 0.253 265 G C 0.569 175.457 174.900 -0.020 0.000 0.979 265 G CA 0.325 45.342 45.100 -0.138 0.000 0.641 265 G HN 0.693 nan 8.290 nan 0.000 0.530 266 D N 1.164 121.594 120.400 0.050 0.000 2.263 266 D HA 0.018 4.658 4.640 0.001 0.000 0.208 266 D C 2.087 178.403 176.300 0.026 0.000 0.971 266 D CA 1.469 55.496 54.000 0.044 0.000 0.867 266 D CB -0.127 40.718 40.800 0.075 0.000 0.929 266 D HN 0.673 nan 8.370 nan 0.000 0.492 267 D N -1.408 119.007 120.400 0.025 0.000 2.348 267 D HA 0.093 4.733 4.640 0.001 0.000 0.211 267 D C 1.523 177.820 176.300 -0.004 0.000 0.998 267 D CA 0.846 54.854 54.000 0.014 0.000 0.873 267 D CB -0.068 40.742 40.800 0.017 0.000 0.925 267 D HN 0.195 nan 8.370 nan 0.000 0.524 268 G N 0.208 108.998 108.800 -0.016 0.000 2.168 268 G HA2 -0.288 3.672 3.960 0.001 0.000 0.197 268 G HA3 -0.288 3.672 3.960 0.001 0.000 0.197 268 G C 0.992 175.868 174.900 -0.039 0.000 0.997 268 G CA 0.508 45.590 45.100 -0.029 0.000 0.658 268 G HN 0.559 nan 8.290 nan 0.000 0.513 269 S N -0.521 115.154 115.700 -0.042 0.000 2.561 269 S HA 0.316 4.786 4.470 0.001 0.000 0.225 269 S C 1.645 176.188 174.600 -0.095 0.000 0.977 269 S CA 0.955 59.128 58.200 -0.045 0.000 0.926 269 S CB -0.037 63.164 63.200 0.002 0.000 0.769 269 S HN 0.494 nan 8.310 nan 0.000 0.533 270 L N 0.611 121.750 121.223 -0.141 0.000 2.959 270 L HA 0.350 4.691 4.340 0.001 0.000 0.259 270 L C 1.531 178.341 176.870 -0.100 0.000 1.185 270 L CA -0.105 54.635 54.840 -0.166 0.000 0.998 270 L CB 0.109 42.000 42.059 -0.280 0.000 1.337 270 L HN 0.114 nan 8.230 nan 0.000 0.555 271 E N 1.210 121.366 120.200 -0.073 0.000 2.209 271 E HA -0.221 4.130 4.350 0.001 0.000 0.196 271 E C 1.349 177.921 176.600 -0.047 0.000 0.993 271 E CA 1.395 57.761 56.400 -0.055 0.000 0.819 271 E CB 0.009 29.682 29.700 -0.045 0.000 0.745 271 E HN 0.633 nan 8.360 nan 0.000 0.477 272 D N -0.226 120.148 120.400 -0.042 0.000 2.347 272 D HA -0.108 4.532 4.640 0.001 0.000 0.215 272 D C 1.573 177.854 176.300 -0.031 0.000 0.976 272 D CA 0.318 54.299 54.000 -0.031 0.000 0.884 272 D CB 0.027 40.813 40.800 -0.023 0.000 0.915 272 D HN 0.153 nan 8.370 nan 0.000 0.526 273 I N 0.186 120.730 120.570 -0.043 0.000 3.081 273 I HA 0.091 4.261 4.170 0.001 0.000 0.274 273 I C 1.036 177.129 176.117 -0.040 0.000 1.178 273 I CA -0.028 61.247 61.300 -0.043 0.000 1.460 273 I CB -0.420 37.548 38.000 -0.053 0.000 1.137 273 I HN -0.129 nan 8.210 nan 0.000 0.443 274 R N 1.565 122.037 120.500 -0.048 0.000 2.543 274 R HA 0.215 4.556 4.340 0.001 0.000 0.277 274 R C 0.640 176.921 176.300 -0.032 0.000 1.074 274 R CA 0.156 56.232 56.100 -0.041 0.000 1.076 274 R CB 0.528 30.797 30.300 -0.051 0.000 0.993 274 R HN 0.267 nan 8.270 nan 0.000 0.459 275 T N -2.538 112.008 114.554 -0.013 0.000 2.889 275 T HA 0.119 4.469 4.350 0.001 0.000 0.278 275 T C 1.234 175.859 174.700 -0.124 0.000 0.995 275 T CA -0.874 61.203 62.100 -0.038 0.000 0.966 275 T CB 1.221 70.139 68.868 0.084 0.000 1.237 275 T HN 0.697 nan 8.240 nan 0.000 0.591 276 E N 0.142 120.141 120.200 -0.336 0.000 2.110 276 E HA -0.131 4.220 4.350 0.001 0.000 0.193 276 E C 1.576 177.976 176.600 -0.333 0.000 0.988 276 E CA 1.158 57.309 56.400 -0.415 0.000 0.804 276 E CB -0.680 28.652 29.700 -0.614 0.000 0.745 276 E HN 0.623 nan 8.360 nan 0.000 0.458 277 F N 2.680 122.629 119.950 -0.002 0.000 2.134 277 F HA -0.138 4.389 4.527 0.001 0.000 0.299 277 F C 2.113 177.922 175.800 0.014 0.000 1.097 277 F CA 1.369 59.377 58.000 0.013 0.000 1.264 277 F CB -0.548 38.459 39.000 0.013 0.000 1.001 277 F HN -0.066 nan 8.300 nan 0.000 0.479 278 D N 0.184 120.674 120.400 0.149 0.000 2.104 278 D HA -0.149 4.491 4.640 0.001 0.000 0.194 278 D C 2.368 178.684 176.300 0.026 0.000 0.994 278 D CA 1.124 55.160 54.000 0.060 0.000 0.830 278 D CB -0.423 40.387 40.800 0.016 0.000 0.959 278 D HN 0.288 nan 8.370 nan 0.000 0.452 279 R N 0.681 121.182 120.500 0.002 0.000 2.081 279 R HA -0.069 4.272 4.340 0.001 0.000 0.235 279 R C 2.354 178.676 176.300 0.037 0.000 1.131 279 R CA 1.157 57.253 56.100 -0.007 0.000 0.960 279 R CB -0.250 30.027 30.300 -0.038 0.000 0.856 279 R HN 0.102 nan 8.270 nan 0.000 0.436 280 A N 1.338 124.201 122.820 0.071 0.000 1.858 280 A HA -0.168 4.153 4.320 0.001 0.000 0.216 280 A C 2.140 179.852 177.584 0.214 0.000 1.190 280 A CA 1.187 53.319 52.037 0.158 0.000 0.617 280 A CB -0.527 18.565 19.000 0.154 0.000 0.827 280 A HN 0.335 nan 8.150 nan 0.000 0.443 281 I N -0.386 120.286 120.570 0.169 0.000 2.286 281 I HA -0.247 3.923 4.170 0.001 0.000 0.248 281 I C 2.110 178.311 176.117 0.139 0.000 1.115 281 I CA 2.268 63.675 61.300 0.179 0.000 1.392 281 I CB -0.153 37.949 38.000 0.170 0.000 1.065 281 I HN 0.451 nan 8.210 nan 0.000 0.418 282 D N 0.750 121.186 120.400 0.061 0.000 2.097 282 D HA -0.185 4.455 4.640 0.001 0.000 0.195 282 D C 2.152 178.457 176.300 0.008 0.000 0.989 282 D CA 1.616 55.622 54.000 0.010 0.000 0.827 282 D CB -0.016 40.767 40.800 -0.028 0.000 0.966 282 D HN 0.413 nan 8.370 nan 0.000 0.456 283 A N -0.736 122.078 122.820 -0.010 0.000 1.908 283 A HA -0.168 4.152 4.320 0.001 0.000 0.218 283 A C 1.739 179.133 177.584 -0.316 0.000 1.181 283 A CA 1.263 53.200 52.037 -0.167 0.000 0.627 283 A CB -1.064 17.795 19.000 -0.234 0.000 0.818 283 A HN 0.467 nan 8.150 nan 0.000 0.445 284 Y N 1.024 121.349 120.300 0.043 0.000 2.461 284 Y HA 0.134 4.684 4.550 0.001 0.000 0.277 284 Y C 1.610 177.549 175.900 0.065 0.000 1.182 284 Y CA 0.089 58.218 58.100 0.048 0.000 1.276 284 Y CB -0.133 38.358 38.460 0.052 0.000 1.087 284 Y HN 0.380 nan 8.280 nan 0.000 0.519 285 S N -0.843 114.946 115.700 0.148 0.000 2.641 285 S HA 0.134 4.604 4.470 0.001 0.000 0.261 285 S C 1.181 175.847 174.600 0.109 0.000 1.257 285 S CA -0.599 57.702 58.200 0.168 0.000 0.983 285 S CB 0.582 63.898 63.200 0.194 0.000 0.990 285 S HN 0.335 nan 8.310 nan 0.000 0.572 286 L N 0.610 121.904 121.223 0.117 0.000 2.201 286 L HA -0.007 4.333 4.340 0.001 0.000 0.212 286 L C 0.522 177.432 176.870 0.067 0.000 1.105 286 L CA 0.841 55.716 54.840 0.059 0.000 0.775 286 L CB -0.717 41.372 42.059 0.051 0.000 0.913 286 L HN 0.778 nan 8.230 nan 0.000 0.440 287 N N -1.128 117.631 118.700 0.098 0.000 2.841 287 N HA 0.261 5.002 4.740 0.001 0.000 0.257 287 N C -2.940 172.603 175.510 0.055 0.000 1.396 287 N CA -2.016 51.087 53.050 0.088 0.000 0.823 287 N CB 0.339 38.908 38.487 0.136 0.000 1.162 287 N HN -0.140 nan 8.380 nan 0.000 0.503 288 P HA 0.226 nan 4.420 nan 0.000 0.271 288 P C 1.096 178.395 177.300 -0.002 0.000 1.216 288 P CA 0.771 63.867 63.100 -0.007 0.000 0.771 288 P CB 0.693 32.364 31.700 -0.047 0.000 0.864 289 G N 1.080 109.875 108.800 -0.009 0.000 2.179 289 G HA2 -0.203 3.757 3.960 0.001 0.000 0.260 289 G HA3 -0.203 3.757 3.960 0.001 0.000 0.260 289 G C 0.079 174.988 174.900 0.015 0.000 0.977 289 G CA 0.050 45.148 45.100 -0.003 0.000 0.641 289 G HN 0.522 nan 8.290 nan 0.000 0.533 290 K N -0.063 120.355 120.400 0.029 0.000 2.267 290 K HA 0.640 4.960 4.320 0.001 0.000 0.246 290 K C 0.698 177.329 176.600 0.052 0.000 0.954 290 K CA -0.844 55.476 56.287 0.056 0.000 0.824 290 K CB 1.082 33.631 32.500 0.080 0.000 1.167 290 K HN 0.169 nan 8.250 nan 0.000 0.431 291 Q N 1.246 121.099 119.800 0.088 0.000 2.463 291 Q HA -0.198 4.142 4.340 0.001 0.000 0.299 291 Q C 0.751 176.770 176.000 0.032 0.000 1.353 291 Q CA 0.359 56.225 55.803 0.104 0.000 0.828 291 Q CB -1.957 26.850 28.738 0.114 0.000 1.157 291 Q HN 0.645 nan 8.270 nan 0.000 0.436 292 L N -1.598 119.646 121.223 0.036 0.000 2.093 292 L HA -0.119 4.222 4.340 0.001 0.000 0.208 292 L C 2.033 178.893 176.870 -0.016 0.000 1.085 292 L CA 1.471 56.295 54.840 -0.025 0.000 0.755 292 L CB -0.416 41.630 42.059 -0.022 0.000 0.904 292 L HN 0.337 nan 8.230 nan 0.000 0.435 293 F N 1.432 121.332 119.950 -0.083 0.000 2.146 293 F HA -0.236 4.291 4.527 0.001 0.000 0.298 293 F C 2.598 178.355 175.800 -0.071 0.000 1.096 293 F CA 1.907 59.843 58.000 -0.107 0.000 1.275 293 F CB -0.151 38.815 39.000 -0.057 0.000 1.008 293 F HN 0.117 nan 8.300 nan 0.000 0.480 294 E N 0.404 120.631 120.200 0.045 0.000 2.153 294 E HA -0.242 4.108 4.350 0.001 0.000 0.194 294 E C 1.872 178.383 176.600 -0.148 0.000 0.988 294 E CA 1.276 57.678 56.400 0.003 0.000 0.811 294 E CB -0.211 29.602 29.700 0.189 0.000 0.746 294 E HN 0.447 nan 8.360 nan 0.000 0.466 295 K N -0.400 119.810 120.400 -0.317 0.000 2.439 295 K HA 0.029 4.350 4.320 0.001 0.000 0.197 295 K C 1.721 178.162 176.600 -0.265 0.000 1.041 295 K CA 0.748 56.688 56.287 -0.579 0.000 0.970 295 K CB 0.129 32.254 32.500 -0.625 0.000 0.773 295 K HN 0.276 nan 8.250 nan 0.000 0.479 296 M N -0.518 118.930 119.600 -0.252 0.000 2.465 296 M HA -0.013 4.468 4.480 0.001 0.000 0.249 296 M C 1.296 177.480 176.300 -0.192 0.000 1.130 296 M CA 0.519 55.697 55.300 -0.203 0.000 1.067 296 M CB 0.815 33.265 32.600 -0.250 0.000 1.394 296 M HN -0.087 nan 8.290 nan 0.000 0.483 297 V N -1.556 118.221 119.914 -0.229 0.000 2.911 297 V HA 0.071 4.191 4.120 0.001 0.000 0.237 297 V C 1.160 177.238 176.094 -0.027 0.000 1.156 297 V CA 0.534 62.732 62.300 -0.169 0.000 1.180 297 V CB 0.356 31.970 31.823 -0.349 0.000 0.932 297 V HN 0.420 nan 8.190 nan 0.000 0.483 298 S N 0.872 116.607 115.700 0.058 0.000 2.632 298 S HA 0.400 4.871 4.470 0.001 0.000 0.267 298 S C 1.464 176.096 174.600 0.053 0.000 1.276 298 S CA 0.241 58.483 58.200 0.069 0.000 0.998 298 S CB 1.225 64.508 63.200 0.138 0.000 0.953 298 S HN 0.423 nan 8.310 nan 0.000 0.547 299 G N 0.616 109.394 108.800 -0.036 0.000 2.462 299 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 299 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 299 G C 1.226 176.065 174.900 -0.103 0.000 1.121 299 G CA 1.030 46.089 45.100 -0.068 0.000 0.758 299 G HN 0.780 nan 8.290 nan 0.000 0.559 300 M N -0.886 118.587 119.600 -0.212 0.000 2.229 300 M HA 0.051 4.531 4.480 0.001 0.000 0.264 300 M C 1.881 177.866 176.300 -0.526 0.000 1.063 300 M CA 1.376 56.397 55.300 -0.465 0.000 1.114 300 M CB 0.087 32.161 32.600 -0.878 0.000 1.387 300 M HN 0.361 nan 8.290 nan 0.000 0.420 301 Y N -1.057 119.263 120.300 0.033 0.000 2.524 301 Y HA 0.192 4.743 4.550 0.001 0.000 0.270 301 Y C 1.785 177.710 175.900 0.042 0.000 1.094 301 Y CA -0.044 58.081 58.100 0.041 0.000 1.276 301 Y CB -0.251 38.229 38.460 0.033 0.000 1.130 301 Y HN 0.061 nan 8.280 nan 0.000 0.536 302 L N -0.117 121.191 121.223 0.142 0.000 2.042 302 L HA -0.171 4.169 4.340 0.001 0.000 0.210 302 L C 2.619 179.573 176.870 0.139 0.000 1.076 302 L CA 1.621 56.531 54.840 0.115 0.000 0.749 302 L CB -1.111 40.994 42.059 0.077 0.000 0.893 302 L HN 0.395 nan 8.230 nan 0.000 0.432 303 G N -0.137 108.752 108.800 0.149 0.000 2.440 303 G HA2 -0.333 3.627 3.960 0.001 0.000 0.218 303 G HA3 -0.333 3.627 3.960 0.001 0.000 0.218 303 G C 1.471 176.535 174.900 0.273 0.000 1.154 303 G CA 1.000 46.262 45.100 0.269 0.000 0.767 303 G HN 0.353 nan 8.290 nan 0.000 0.552 304 E N 0.443 120.750 120.200 0.178 0.000 2.110 304 E HA -0.029 4.322 4.350 0.001 0.000 0.193 304 E C 2.511 179.178 176.600 0.111 0.000 0.988 304 E CA 0.621 57.109 56.400 0.147 0.000 0.804 304 E CB -0.424 29.365 29.700 0.147 0.000 0.745 304 E HN 0.453 nan 8.360 nan 0.000 0.458 305 L N -0.528 120.761 121.223 0.110 0.000 2.017 305 L HA -0.186 4.154 4.340 0.001 0.000 0.208 305 L C 2.437 179.273 176.870 -0.056 0.000 1.073 305 L CA 1.123 55.998 54.840 0.057 0.000 0.745 305 L CB -0.607 41.485 42.059 0.055 0.000 0.894 305 L HN 0.110 nan 8.230 nan 0.000 0.432 306 V N -0.051 119.835 119.914 -0.047 0.000 2.255 306 V HA -0.349 3.771 4.120 0.001 0.000 0.247 306 V C 2.729 178.652 176.094 -0.285 0.000 1.051 306 V CA 2.131 64.331 62.300 -0.167 0.000 1.018 306 V CB -0.665 31.098 31.823 -0.100 0.000 0.641 306 V HN 0.476 nan 8.190 nan 0.000 0.445 307 R N -0.240 120.111 120.500 -0.247 0.000 2.083 307 R HA -0.188 4.153 4.340 0.001 0.000 0.237 307 R C 2.315 178.557 176.300 -0.098 0.000 1.137 307 R CA 1.984 57.955 56.100 -0.215 0.000 0.951 307 R CB -0.411 29.866 30.300 -0.038 0.000 0.851 307 R HN 0.481 nan 8.270 nan 0.000 0.434 308 L N 0.465 121.675 121.223 -0.023 0.000 2.079 308 L HA -0.218 4.123 4.340 0.001 0.000 0.210 308 L C 2.500 179.384 176.870 0.024 0.000 1.081 308 L CA 1.330 56.209 54.840 0.064 0.000 0.752 308 L CB -0.406 41.768 42.059 0.191 0.000 0.896 308 L HN 0.284 nan 8.230 nan 0.000 0.433 309 I N -0.386 120.044 120.570 -0.233 0.000 2.315 309 I HA -0.275 3.896 4.170 0.001 0.000 0.248 309 I C 2.341 178.360 176.117 -0.164 0.000 1.117 309 I CA 1.197 62.248 61.300 -0.415 0.000 1.404 309 I CB -0.195 37.430 38.000 -0.625 0.000 1.071 309 I HN 0.233 nan 8.210 nan 0.000 0.419 310 L N -0.349 120.769 121.223 -0.174 0.000 2.109 310 L HA -0.132 4.208 4.340 0.001 0.000 0.207 310 L C 2.604 179.443 176.870 -0.053 0.000 1.086 310 L CA 0.744 55.496 54.840 -0.146 0.000 0.760 310 L CB -0.779 41.204 42.059 -0.126 0.000 0.910 310 L HN 0.065 nan 8.230 nan 0.000 0.437 311 V N 0.570 120.486 119.914 0.003 0.000 2.255 311 V HA -0.341 3.780 4.120 0.001 0.000 0.247 311 V C 2.656 178.786 176.094 0.061 0.000 1.051 311 V CA 2.199 64.529 62.300 0.050 0.000 1.018 311 V CB -0.602 31.253 31.823 0.053 0.000 0.641 311 V HN 0.458 nan 8.190 nan 0.000 0.445 312 K N -0.566 119.904 120.400 0.118 0.000 2.063 312 K HA -0.222 4.099 4.320 0.001 0.000 0.208 312 K C 2.217 178.886 176.600 0.116 0.000 1.048 312 K CA 1.983 58.373 56.287 0.172 0.000 0.928 312 K CB -0.214 32.494 32.500 0.347 0.000 0.713 312 K HN 0.374 nan 8.250 nan 0.000 0.442 313 M N 0.061 119.672 119.600 0.018 0.000 2.117 313 M HA -0.157 4.323 4.480 0.001 0.000 0.262 313 M C 2.330 178.525 176.300 -0.175 0.000 1.065 313 M CA 1.653 56.851 55.300 -0.170 0.000 1.114 313 M CB -0.250 32.138 32.600 -0.354 0.000 1.361 313 M HN 0.324 nan 8.290 nan 0.000 0.408 314 A N 0.527 123.253 122.820 -0.156 0.000 1.877 314 A HA -0.192 4.128 4.320 0.001 0.000 0.216 314 A C 2.074 179.640 177.584 -0.030 0.000 1.186 314 A CA 1.798 53.764 52.037 -0.118 0.000 0.620 314 A CB -0.588 18.431 19.000 0.031 0.000 0.822 314 A HN 0.415 nan 8.150 nan 0.000 0.443 315 K N -0.144 120.261 120.400 0.008 0.000 2.113 315 K HA -0.168 4.153 4.320 0.001 0.000 0.208 315 K C 1.371 177.982 176.600 0.018 0.000 1.047 315 K CA 1.637 57.939 56.287 0.026 0.000 0.928 315 K CB -0.161 32.365 32.500 0.044 0.000 0.716 315 K HN 0.635 nan 8.250 nan 0.000 0.446 316 E N -0.378 119.829 120.200 0.012 0.000 2.476 316 E HA 0.035 4.385 4.350 0.001 0.000 0.191 316 E C 0.623 177.207 176.600 -0.027 0.000 1.064 316 E CA 0.223 56.630 56.400 0.012 0.000 0.866 316 E CB 0.367 30.097 29.700 0.050 0.000 0.952 316 E HN 0.451 nan 8.360 nan 0.000 0.492 317 G N 1.681 110.454 108.800 -0.046 0.000 2.203 317 G HA2 -0.304 3.657 3.960 0.001 0.000 0.263 317 G HA3 -0.304 3.657 3.960 0.001 0.000 0.263 317 G C 0.753 175.590 174.900 -0.104 0.000 1.012 317 G CA 0.382 45.447 45.100 -0.059 0.000 0.749 317 G HN 0.338 nan 8.290 nan 0.000 0.512 318 L N -1.507 119.617 121.223 -0.166 0.000 2.446 318 L HA 0.416 4.757 4.340 0.001 0.000 0.219 318 L C 1.294 177.982 176.870 -0.302 0.000 1.116 318 L CA 0.515 55.221 54.840 -0.223 0.000 0.844 318 L CB 0.020 41.898 42.059 -0.302 0.000 0.970 318 L HN 0.242 nan 8.230 nan 0.000 0.457 319 L N -1.509 119.469 121.223 -0.408 0.000 2.371 319 L HA 0.364 4.704 4.340 0.001 0.000 0.262 319 L C -0.242 176.293 176.870 -0.558 0.000 1.006 319 L CA -0.954 53.462 54.840 -0.708 0.000 0.818 319 L CB 2.052 43.272 42.059 -1.399 0.000 1.354 319 L HN -0.020 nan 8.230 nan 0.000 0.415 320 F N -0.318 119.608 119.950 -0.040 0.000 3.100 320 F HA -0.280 4.247 4.527 0.001 0.000 0.284 320 F C 0.889 176.675 175.800 -0.023 0.000 0.875 320 F CA 0.633 58.616 58.000 -0.028 0.000 1.039 320 F CB -1.793 37.190 39.000 -0.028 0.000 1.111 320 F HN 0.723 nan 8.300 nan 0.000 0.575 321 E N -0.990 119.248 120.200 0.063 0.000 2.403 321 E HA -0.240 4.110 4.350 0.001 0.000 0.241 321 E C 1.407 178.032 176.600 0.042 0.000 1.201 321 E CA 0.792 57.213 56.400 0.034 0.000 0.721 321 E CB -1.523 28.203 29.700 0.043 0.000 1.245 321 E HN 1.139 nan 8.360 nan 0.000 0.392 322 G N -0.003 108.817 108.800 0.034 0.000 2.184 322 G HA2 -0.413 3.547 3.960 0.001 0.000 0.264 322 G HA3 -0.413 3.547 3.960 0.001 0.000 0.264 322 G C 0.298 175.253 174.900 0.092 0.000 0.975 322 G CA 0.453 45.578 45.100 0.042 0.000 0.642 322 G HN 0.327 nan 8.290 nan 0.000 0.536 323 R N -0.263 120.325 120.500 0.146 0.000 2.522 323 R HA 0.505 4.845 4.340 0.001 0.000 0.284 323 R C 0.102 176.498 176.300 0.159 0.000 1.032 323 R CA 0.422 56.599 56.100 0.128 0.000 1.049 323 R CB 0.313 30.677 30.300 0.106 0.000 0.956 323 R HN 0.349 nan 8.270 nan 0.000 0.422 324 I N 2.415 123.037 120.570 0.086 0.000 2.500 324 I HA 0.154 4.324 4.170 0.001 0.000 0.286 324 I C 0.173 176.306 176.117 0.026 0.000 1.063 324 I CA -0.495 60.850 61.300 0.076 0.000 1.062 324 I CB 2.139 40.181 38.000 0.070 0.000 1.223 324 I HN 0.660 nan 8.210 nan 0.000 0.435 325 T N 2.755 117.309 114.554 0.000 0.000 2.944 325 T HA 0.465 4.815 4.350 0.001 0.000 0.284 325 T C -1.857 172.839 174.700 -0.006 0.000 1.010 325 T CA -1.888 60.203 62.100 -0.015 0.000 1.025 325 T CB 1.787 70.630 68.868 -0.043 0.000 1.079 325 T HN 0.290 nan 8.240 nan 0.000 0.516 326 P HA -0.018 nan 4.420 nan 0.000 0.219 326 P C 0.972 178.269 177.300 -0.004 0.000 1.150 326 P CA 1.008 64.105 63.100 -0.005 0.000 0.814 326 P CB 0.199 31.895 31.700 -0.006 0.000 0.787 327 E N 0.147 120.341 120.200 -0.010 0.000 2.058 327 E HA -0.162 4.189 4.350 0.001 0.000 0.194 327 E C 2.068 178.672 176.600 0.006 0.000 0.997 327 E CA 0.810 57.207 56.400 -0.005 0.000 0.801 327 E CB -1.204 28.487 29.700 -0.015 0.000 0.746 327 E HN 0.076 nan 8.360 nan 0.000 0.450 328 L N 0.481 121.702 121.223 -0.003 0.000 2.081 328 L HA -0.167 4.174 4.340 0.001 0.000 0.212 328 L C 1.792 178.676 176.870 0.023 0.000 1.080 328 L CA 1.641 56.489 54.840 0.013 0.000 0.754 328 L CB -0.197 41.870 42.059 0.015 0.000 0.893 328 L HN 0.170 nan 8.230 nan 0.000 0.433 329 L N -1.085 120.146 121.223 0.014 0.000 2.552 329 L HA -0.013 4.327 4.340 0.001 0.000 0.227 329 L C 0.402 177.271 176.870 -0.001 0.000 1.146 329 L CA -0.002 54.841 54.840 0.006 0.000 0.858 329 L CB -0.956 41.102 42.059 -0.001 0.000 0.969 329 L HN 0.157 nan 8.230 nan 0.000 0.451 330 T N 1.288 115.847 114.554 0.009 0.000 2.752 330 T HA 0.116 4.467 4.350 0.001 0.000 0.295 330 T C 0.491 175.203 174.700 0.021 0.000 0.923 330 T CA -0.352 61.753 62.100 0.008 0.000 1.112 330 T CB 0.721 69.596 68.868 0.011 0.000 0.884 330 T HN 0.162 nan 8.240 nan 0.000 0.525 331 R N 2.247 122.752 120.500 0.009 0.000 2.538 331 R HA 0.263 4.604 4.340 0.001 0.000 0.282 331 R C 1.458 177.785 176.300 0.044 0.000 1.009 331 R CA 1.468 57.584 56.100 0.026 0.000 1.063 331 R CB -0.356 29.950 30.300 0.011 0.000 0.945 331 R HN 0.999 nan 8.270 nan 0.000 0.414 332 G N 3.528 112.367 108.800 0.064 0.000 2.205 332 G HA2 -0.338 3.623 3.960 0.001 0.000 0.261 332 G HA3 -0.338 3.623 3.960 0.001 0.000 0.261 332 G C 0.785 175.719 174.900 0.058 0.000 0.980 332 G CA 0.545 45.680 45.100 0.059 0.000 0.632 332 G HN 0.628 nan 8.290 nan 0.000 0.533 333 K N -0.253 120.191 120.400 0.073 0.000 2.362 333 K HA 0.243 4.564 4.320 0.001 0.000 0.200 333 K C 0.359 177.032 176.600 0.122 0.000 1.046 333 K CA 0.459 56.790 56.287 0.073 0.000 0.952 333 K CB -0.191 32.351 32.500 0.069 0.000 0.753 333 K HN 0.421 nan 8.250 nan 0.000 0.466 334 F N 1.868 121.816 119.950 -0.004 0.000 2.434 334 F HA 0.303 4.830 4.527 0.001 0.000 0.355 334 F C -0.346 175.452 175.800 -0.002 0.000 1.115 334 F CA -1.074 56.925 58.000 -0.003 0.000 1.010 334 F CB 0.621 39.625 39.000 0.007 0.000 1.234 334 F HN 0.095 nan 8.300 nan 0.000 0.439 335 N N 2.255 120.842 118.700 -0.188 0.000 2.491 335 N HA 0.249 4.989 4.740 0.001 0.000 0.279 335 N C 0.233 175.666 175.510 -0.127 0.000 1.236 335 N CA -0.678 52.315 53.050 -0.096 0.000 0.982 335 N CB 1.320 39.754 38.487 -0.088 0.000 1.194 335 N HN 0.371 nan 8.380 nan 0.000 0.582 336 T N -0.013 114.512 114.554 -0.050 0.000 2.915 336 T HA -0.090 4.261 4.350 0.001 0.000 0.269 336 T C 1.822 176.491 174.700 -0.052 0.000 1.071 336 T CA 1.057 63.147 62.100 -0.018 0.000 1.132 336 T CB -0.331 68.529 68.868 -0.012 0.000 0.878 336 T HN 0.497 nan 8.240 nan 0.000 0.479 337 S N 1.452 117.093 115.700 -0.098 0.000 2.382 337 S HA -0.131 4.340 4.470 0.001 0.000 0.228 337 S C 1.798 176.298 174.600 -0.167 0.000 1.027 337 S CA 1.005 59.138 58.200 -0.111 0.000 0.991 337 S CB -0.339 62.796 63.200 -0.109 0.000 0.823 337 S HN 0.511 nan 8.310 nan 0.000 0.469 338 D N 1.143 121.367 120.400 -0.292 0.000 2.117 338 D HA -0.051 4.590 4.640 0.001 0.000 0.198 338 D C 2.083 178.216 176.300 -0.278 0.000 0.982 338 D CA 0.756 54.492 54.000 -0.439 0.000 0.828 338 D CB -0.497 39.688 40.800 -1.026 0.000 0.967 338 D HN 0.225 nan 8.370 nan 0.000 0.464 339 V N 1.017 120.843 119.914 -0.147 0.000 2.287 339 V HA -0.239 3.881 4.120 0.001 0.000 0.248 339 V C 2.559 178.666 176.094 0.022 0.000 1.053 339 V CA 1.734 64.086 62.300 0.087 0.000 1.027 339 V CB -0.630 31.307 31.823 0.191 0.000 0.646 339 V HN 0.131 nan 8.190 nan 0.000 0.447 340 S N 0.027 115.697 115.700 -0.049 0.000 2.368 340 S HA -0.144 4.327 4.470 0.001 0.000 0.225 340 S C 2.238 176.703 174.600 -0.225 0.000 1.030 340 S CA 1.405 59.456 58.200 -0.249 0.000 0.999 340 S CB -0.511 62.585 63.200 -0.173 0.000 0.844 340 S HN 0.657 nan 8.310 nan 0.000 0.459 341 A N 1.443 124.179 122.820 -0.140 0.000 1.902 341 A HA -0.045 4.275 4.320 0.001 0.000 0.217 341 A C 2.044 179.584 177.584 -0.072 0.000 1.181 341 A CA 1.237 53.212 52.037 -0.104 0.000 0.623 341 A CB -0.730 18.215 19.000 -0.093 0.000 0.818 341 A HN 0.497 nan 8.150 nan 0.000 0.443 342 I N -0.370 120.171 120.570 -0.049 0.000 2.454 342 I HA -0.206 3.965 4.170 0.001 0.000 0.254 342 I C 1.841 177.961 176.117 0.006 0.000 1.156 342 I CA 1.255 62.561 61.300 0.010 0.000 1.433 342 I CB -0.291 37.758 38.000 0.081 0.000 1.082 342 I HN 0.415 nan 8.210 nan 0.000 0.432 343 E N 0.807 120.979 120.200 -0.047 0.000 2.489 343 E HA 0.038 4.389 4.350 0.001 0.000 0.193 343 E C 0.153 176.709 176.600 -0.074 0.000 1.057 343 E CA -0.063 56.312 56.400 -0.041 0.000 0.866 343 E CB 0.233 29.911 29.700 -0.036 0.000 0.916 343 E HN 0.375 nan 8.360 nan 0.000 0.500 344 K N 1.947 122.298 120.400 -0.080 0.000 2.448 344 K HA -0.021 4.300 4.320 0.001 0.000 0.278 344 K C 0.933 177.521 176.600 -0.020 0.000 1.009 344 K CA -0.051 56.199 56.287 -0.061 0.000 0.995 344 K CB 0.645 33.115 32.500 -0.050 0.000 0.917 344 K HN 0.086 nan 8.250 nan 0.000 0.481 345 N N 3.125 121.814 118.700 -0.018 0.000 2.018 345 N HA -0.252 4.488 4.740 0.001 0.000 0.196 345 N C 1.424 176.937 175.510 0.005 0.000 1.043 345 N CA 2.006 55.055 53.050 -0.002 0.000 0.856 345 N CB 0.142 38.627 38.487 -0.004 0.000 1.042 345 N HN 0.567 nan 8.380 nan 0.000 0.423 346 K N 0.211 120.611 120.400 0.000 0.000 2.244 346 K HA 0.007 4.328 4.320 0.001 0.000 0.200 346 K C 1.445 178.053 176.600 0.013 0.000 1.052 346 K CA 0.629 56.917 56.287 0.002 0.000 0.980 346 K CB 0.082 32.576 32.500 -0.009 0.000 0.838 346 K HN 0.209 nan 8.250 nan 0.000 0.481 347 E N -0.281 119.931 120.200 0.020 0.000 2.481 347 E HA 0.039 4.389 4.350 0.001 0.000 0.198 347 E C 1.495 178.154 176.600 0.098 0.000 1.027 347 E CA 0.402 56.839 56.400 0.062 0.000 0.900 347 E CB 0.341 30.070 29.700 0.048 0.000 0.993 347 E HN 0.356 nan 8.360 nan 0.000 0.482 348 G N 2.595 111.427 108.800 0.052 0.000 2.514 348 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 348 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 348 G C 1.680 176.615 174.900 0.059 0.000 1.198 348 G CA 1.179 46.304 45.100 0.042 0.000 0.780 348 G HN 0.241 nan 8.290 nan 0.000 0.565 349 L N -0.065 121.200 121.223 0.070 0.000 2.079 349 L HA -0.121 4.219 4.340 0.001 0.000 0.210 349 L C 2.655 179.567 176.870 0.071 0.000 1.081 349 L CA 1.714 56.595 54.840 0.069 0.000 0.752 349 L CB -0.638 41.460 42.059 0.064 0.000 0.896 349 L HN 0.458 nan 8.230 nan 0.000 0.433 350 H N 0.332 119.409 119.070 0.011 0.000 2.326 350 H HA -0.129 4.428 4.556 0.001 0.000 0.301 350 H C 2.132 177.462 175.328 0.004 0.000 1.081 350 H CA 1.891 57.943 56.048 0.006 0.000 1.334 350 H CB 0.038 29.799 29.762 -0.001 0.000 1.385 350 H HN 0.199 nan 8.280 nan 0.000 0.504 351 N N 0.728 119.356 118.700 -0.120 0.000 2.120 351 N HA -0.139 4.602 4.740 0.001 0.000 0.188 351 N C 2.086 177.522 175.510 -0.123 0.000 1.024 351 N CA 1.326 54.280 53.050 -0.160 0.000 0.852 351 N CB -0.756 37.712 38.487 -0.032 0.000 1.003 351 N HN 0.573 nan 8.380 nan 0.000 0.424 352 A N 1.476 124.272 122.820 -0.040 0.000 1.892 352 A HA -0.216 4.104 4.320 0.001 0.000 0.218 352 A C 2.219 179.795 177.584 -0.013 0.000 1.188 352 A CA 1.735 53.784 52.037 0.020 0.000 0.631 352 A CB -0.591 18.445 19.000 0.061 0.000 0.822 352 A HN 0.294 nan 8.150 nan 0.000 0.447 353 K N -0.299 120.063 120.400 -0.063 0.000 2.009 353 K HA -0.217 4.103 4.320 0.001 0.000 0.210 353 K C 2.040 178.572 176.600 -0.113 0.000 1.049 353 K CA 1.861 58.103 56.287 -0.074 0.000 0.929 353 K CB -0.220 32.233 32.500 -0.078 0.000 0.714 353 K HN 0.688 nan 8.250 nan 0.000 0.440 354 E N 0.390 120.469 120.200 -0.202 0.000 2.038 354 E HA -0.220 4.131 4.350 0.001 0.000 0.195 354 E C 2.188 178.724 176.600 -0.107 0.000 1.000 354 E CA 1.541 57.837 56.400 -0.173 0.000 0.803 354 E CB -0.277 29.280 29.700 -0.239 0.000 0.750 354 E HN 0.325 nan 8.360 nan 0.000 0.448 355 I N 1.219 121.732 120.570 -0.094 0.000 2.127 355 I HA -0.311 3.859 4.170 0.001 0.000 0.241 355 I C 2.468 178.580 176.117 -0.009 0.000 1.075 355 I CA 1.287 62.555 61.300 -0.053 0.000 1.334 355 I CB -0.263 37.708 38.000 -0.049 0.000 1.040 355 I HN 0.062 nan 8.210 nan 0.000 0.405 356 L N -0.526 120.699 121.223 0.003 0.000 2.141 356 L HA -0.161 4.180 4.340 0.001 0.000 0.209 356 L C 2.568 179.365 176.870 -0.122 0.000 1.094 356 L CA 1.200 56.013 54.840 -0.045 0.000 0.763 356 L CB -0.911 41.129 42.059 -0.033 0.000 0.908 356 L HN 0.223 nan 8.230 nan 0.000 0.437 357 T N -0.331 114.166 114.554 -0.094 0.000 2.684 357 T HA -0.199 4.152 4.350 0.001 0.000 0.267 357 T C 1.987 176.635 174.700 -0.086 0.000 1.036 357 T CA 1.365 63.409 62.100 -0.094 0.000 1.148 357 T CB -0.169 68.655 68.868 -0.073 0.000 0.863 357 T HN 0.294 nan 8.240 nan 0.000 0.436 358 R N 0.565 121.024 120.500 -0.069 0.000 2.241 358 R HA 0.100 4.440 4.340 0.001 0.000 0.224 358 R C 2.145 178.411 176.300 -0.057 0.000 1.101 358 R CA 0.600 56.666 56.100 -0.057 0.000 0.995 358 R CB -0.377 29.894 30.300 -0.048 0.000 0.870 358 R HN 0.397 nan 8.270 nan 0.000 0.463 359 L N -0.614 120.565 121.223 -0.073 0.000 2.456 359 L HA -0.019 4.322 4.340 0.001 0.000 0.224 359 L C 1.451 178.261 176.870 -0.101 0.000 1.148 359 L CA 1.027 55.820 54.840 -0.077 0.000 0.825 359 L CB -0.145 41.851 42.059 -0.104 0.000 0.937 359 L HN 0.531 nan 8.230 nan 0.000 0.450 360 G N -0.995 107.739 108.800 -0.110 0.000 2.218 360 G HA2 -0.229 3.732 3.960 0.001 0.000 0.216 360 G HA3 -0.229 3.732 3.960 0.001 0.000 0.216 360 G C 0.320 175.139 174.900 -0.134 0.000 0.994 360 G CA 0.043 45.086 45.100 -0.096 0.000 0.637 360 G HN 0.078 nan 8.290 nan 0.000 0.505 361 V N 0.133 119.910 119.914 -0.227 0.000 3.596 361 V HA 0.621 4.741 4.120 0.001 0.000 0.288 361 V C 0.606 176.591 176.094 -0.181 0.000 1.021 361 V CA -0.074 62.057 62.300 -0.281 0.000 1.020 361 V CB 1.232 32.685 31.823 -0.618 0.000 1.243 361 V HN 0.344 nan 8.190 nan 0.000 0.433 362 E N 1.415 121.530 120.200 -0.142 0.000 3.374 362 E HA 0.291 4.642 4.350 0.001 0.000 0.223 362 E C -2.732 173.845 176.600 -0.038 0.000 1.210 362 E CA -1.482 54.876 56.400 -0.070 0.000 0.987 362 E CB 0.882 30.561 29.700 -0.036 0.000 1.322 362 E HN 0.539 nan 8.360 nan 0.000 0.404 363 P HA -0.033 nan 4.420 nan 0.000 0.271 363 P C 0.114 177.453 177.300 0.065 0.000 1.216 363 P CA -0.033 63.096 63.100 0.047 0.000 0.776 363 P CB 1.301 33.020 31.700 0.032 0.000 0.881 364 S N 1.485 117.245 115.700 0.101 0.000 2.661 364 S HA 0.158 4.629 4.470 0.001 0.000 0.265 364 S C 0.918 175.553 174.600 0.058 0.000 1.225 364 S CA -0.298 57.940 58.200 0.062 0.000 0.986 364 S CB 0.385 63.617 63.200 0.054 0.000 1.008 364 S HN 0.333 nan 8.310 nan 0.000 0.565 365 D N 0.471 120.894 120.400 0.040 0.000 2.144 365 D HA -0.048 4.593 4.640 0.001 0.000 0.200 365 D C 1.238 177.558 176.300 0.033 0.000 0.978 365 D CA 1.121 55.142 54.000 0.036 0.000 0.833 365 D CB -0.414 40.403 40.800 0.028 0.000 0.961 365 D HN 0.567 nan 8.370 nan 0.000 0.470 366 D N 0.646 121.061 120.400 0.025 0.000 2.178 366 D HA -0.110 4.531 4.640 0.001 0.000 0.202 366 D C 1.491 177.799 176.300 0.013 0.000 0.974 366 D CA 0.688 54.694 54.000 0.010 0.000 0.841 366 D CB -0.133 40.664 40.800 -0.005 0.000 0.953 366 D HN 0.131 nan 8.370 nan 0.000 0.478 367 D N -0.360 120.065 120.400 0.041 0.000 2.117 367 D HA -0.114 4.527 4.640 0.001 0.000 0.197 367 D C 2.162 178.514 176.300 0.088 0.000 0.987 367 D CA 0.545 54.585 54.000 0.066 0.000 0.829 367 D CB -0.439 40.492 40.800 0.217 0.000 0.961 367 D HN 0.215 nan 8.370 nan 0.000 0.460 368 C N 0.179 119.532 119.300 0.088 0.000 2.429 368 C HA -0.085 4.375 4.460 0.001 0.000 0.277 368 C C 2.940 177.969 174.990 0.066 0.000 1.262 368 C CA 0.249 59.315 59.018 0.081 0.000 1.733 368 C CB -0.782 26.995 27.740 0.061 0.000 2.010 368 C HN 0.171 nan 8.230 nan 0.000 0.483 369 V N 0.733 120.675 119.914 0.046 0.000 2.295 369 V HA -0.197 3.924 4.120 0.001 0.000 0.246 369 V C 2.466 178.588 176.094 0.048 0.000 1.049 369 V CA 2.429 64.753 62.300 0.040 0.000 1.024 369 V CB -0.856 30.975 31.823 0.014 0.000 0.648 369 V HN 0.558 nan 8.190 nan 0.000 0.447 370 S N -0.040 115.671 115.700 0.019 0.000 2.359 370 S HA -0.188 4.283 4.470 0.001 0.000 0.224 370 S C 2.027 176.643 174.600 0.027 0.000 1.035 370 S CA 1.629 59.831 58.200 0.004 0.000 1.018 370 S CB -0.346 62.810 63.200 -0.072 0.000 0.876 370 S HN 0.370 nan 8.310 nan 0.000 0.448 371 V N 2.022 121.952 119.914 0.026 0.000 2.295 371 V HA -0.243 3.877 4.120 0.001 0.000 0.246 371 V C 2.636 178.777 176.094 0.078 0.000 1.049 371 V CA 2.050 64.371 62.300 0.036 0.000 1.024 371 V CB -0.781 31.094 31.823 0.087 0.000 0.648 371 V HN 0.518 nan 8.190 nan 0.000 0.447 372 Q N -0.400 119.463 119.800 0.104 0.000 2.112 372 Q HA -0.334 4.007 4.340 0.001 0.000 0.206 372 Q C 2.264 178.348 176.000 0.139 0.000 0.987 372 Q CA 2.538 58.413 55.803 0.120 0.000 0.858 372 Q CB -0.253 28.551 28.738 0.109 0.000 0.905 372 Q HN 0.803 nan 8.270 nan 0.000 0.420 373 H N -0.694 118.397 119.070 0.034 0.000 2.423 373 H HA -0.050 4.506 4.556 0.001 0.000 0.297 373 H C 1.804 177.149 175.328 0.028 0.000 1.075 373 H CA 1.504 57.572 56.048 0.033 0.000 1.342 373 H CB 0.048 29.819 29.762 0.015 0.000 1.395 373 H HN 0.101 nan 8.280 nan 0.000 0.530 374 V N -1.088 118.829 119.914 0.005 0.000 2.358 374 V HA -0.278 3.843 4.120 0.001 0.000 0.246 374 V C 2.683 178.745 176.094 -0.054 0.000 1.047 374 V CA 1.593 63.851 62.300 -0.070 0.000 1.035 374 V CB -0.582 31.186 31.823 -0.091 0.000 0.658 374 V HN 0.622 nan 8.190 nan 0.000 0.452 375 C N -0.298 119.015 119.300 0.021 0.000 2.413 375 C HA -0.187 4.273 4.460 0.001 0.000 0.276 375 C C 2.972 178.010 174.990 0.079 0.000 1.248 375 C CA 1.816 60.888 59.018 0.089 0.000 1.742 375 C CB -1.282 26.554 27.740 0.160 0.000 2.017 375 C HN 0.627 nan 8.230 nan 0.000 0.481 376 T N 1.269 115.848 114.554 0.042 0.000 2.684 376 T HA -0.160 4.191 4.350 0.001 0.000 0.267 376 T C 1.611 176.319 174.700 0.014 0.000 1.036 376 T CA 1.655 63.782 62.100 0.045 0.000 1.148 376 T CB -0.303 68.563 68.868 -0.002 0.000 0.863 376 T HN 0.495 nan 8.240 nan 0.000 0.436 377 I N 0.505 120.996 120.570 -0.132 0.000 2.252 377 I HA -0.140 4.030 4.170 0.001 0.000 0.245 377 I C 2.461 178.560 176.117 -0.030 0.000 1.102 377 I CA 0.833 62.061 61.300 -0.120 0.000 1.385 377 I CB -0.358 37.522 38.000 -0.200 0.000 1.064 377 I HN 0.097 nan 8.210 nan 0.000 0.414 378 V N 0.739 120.639 119.914 -0.024 0.000 2.270 378 V HA -0.280 3.840 4.120 0.001 0.000 0.245 378 V C 2.669 178.786 176.094 0.039 0.000 1.043 378 V CA 2.297 64.597 62.300 0.000 0.000 1.014 378 V CB -0.834 30.989 31.823 0.000 0.000 0.645 378 V HN 0.609 nan 8.190 nan 0.000 0.447 379 S N -0.596 115.140 115.700 0.060 0.000 2.399 379 S HA -0.223 4.248 4.470 0.001 0.000 0.231 379 S C 2.033 176.645 174.600 0.020 0.000 1.022 379 S CA 1.628 59.856 58.200 0.047 0.000 0.983 379 S CB -0.836 62.337 63.200 -0.044 0.000 0.803 379 S HN 0.558 nan 8.310 nan 0.000 0.480 380 F N 2.159 122.039 119.950 -0.118 0.000 2.259 380 F HA 0.105 4.633 4.527 0.001 0.000 0.298 380 F C 2.855 178.564 175.800 -0.152 0.000 1.088 380 F CA 0.766 58.667 58.000 -0.166 0.000 1.358 380 F CB -0.030 38.895 39.000 -0.125 0.000 1.040 380 F HN 0.172 nan 8.300 nan 0.000 0.505 381 R N -0.227 120.336 120.500 0.105 0.000 2.081 381 R HA -0.187 4.153 4.340 0.001 0.000 0.235 381 R C 2.487 178.784 176.300 -0.005 0.000 1.131 381 R CA 1.599 57.707 56.100 0.013 0.000 0.960 381 R CB -0.592 29.688 30.300 -0.034 0.000 0.856 381 R HN 0.255 nan 8.270 nan 0.000 0.436 382 S N -0.039 115.663 115.700 0.003 0.000 2.359 382 S HA -0.174 4.296 4.470 0.001 0.000 0.224 382 S C 2.037 176.616 174.600 -0.035 0.000 1.035 382 S CA 1.446 59.646 58.200 0.000 0.000 1.018 382 S CB -0.311 62.984 63.200 0.159 0.000 0.876 382 S HN 0.536 nan 8.310 nan 0.000 0.448 383 A N 1.378 124.065 122.820 -0.222 0.000 1.902 383 A HA -0.137 4.184 4.320 0.001 0.000 0.217 383 A C 1.983 179.557 177.584 -0.016 0.000 1.181 383 A CA 1.923 53.686 52.037 -0.457 0.000 0.623 383 A CB -1.223 17.276 19.000 -0.835 0.000 0.818 383 A HN 0.790 nan 8.150 nan 0.000 0.443 384 N N -0.263 118.476 118.700 0.064 0.000 2.120 384 N HA -0.077 4.663 4.740 0.001 0.000 0.188 384 N C 1.646 177.206 175.510 0.085 0.000 1.024 384 N CA 1.234 54.349 53.050 0.107 0.000 0.852 384 N CB -0.271 38.259 38.487 0.072 0.000 1.003 384 N HN 0.430 nan 8.380 nan 0.000 0.424 385 L N 0.435 121.681 121.223 0.038 0.000 2.046 385 L HA -0.145 4.196 4.340 0.001 0.000 0.208 385 L C 2.081 179.026 176.870 0.126 0.000 1.077 385 L CA 0.877 55.758 54.840 0.068 0.000 0.747 385 L CB -0.308 41.691 42.059 -0.100 0.000 0.896 385 L HN 0.107 nan 8.230 nan 0.000 0.432 386 V N -0.325 119.625 119.914 0.060 0.000 2.453 386 V HA -0.188 3.933 4.120 0.001 0.000 0.247 386 V C 2.676 178.933 176.094 0.271 0.000 1.048 386 V CA 1.463 63.790 62.300 0.045 0.000 1.049 386 V CB -0.640 31.168 31.823 -0.025 0.000 0.672 386 V HN 0.447 nan 8.190 nan 0.000 0.457 387 A N 0.317 123.379 122.820 0.403 0.000 1.902 387 A HA -0.142 4.178 4.320 0.001 0.000 0.217 387 A C 2.447 180.141 177.584 0.183 0.000 1.181 387 A CA 2.147 54.410 52.037 0.377 0.000 0.623 387 A CB -0.786 18.345 19.000 0.218 0.000 0.818 387 A HN 0.548 nan 8.150 nan 0.000 0.443 388 A N -0.215 122.667 122.820 0.104 0.000 1.858 388 A HA -0.128 4.192 4.320 0.001 0.000 0.216 388 A C 2.468 180.027 177.584 -0.042 0.000 1.190 388 A CA 2.772 54.837 52.037 0.046 0.000 0.617 388 A CB -1.518 17.516 19.000 0.057 0.000 0.827 388 A HN 0.709 nan 8.150 nan 0.000 0.443 389 T N -1.330 113.075 114.554 -0.249 0.000 2.737 389 T HA -0.148 4.203 4.350 0.001 0.000 0.265 389 T C 1.793 176.415 174.700 -0.130 0.000 1.038 389 T CA 1.430 63.151 62.100 -0.631 0.000 1.144 389 T CB -0.645 67.212 68.868 -1.686 0.000 0.866 389 T HN 0.210 nan 8.240 nan 0.000 0.434 390 L N 2.520 123.825 121.223 0.137 0.000 2.042 390 L HA 0.130 4.471 4.340 0.001 0.000 0.210 390 L C 2.670 179.670 176.870 0.216 0.000 1.076 390 L CA 2.031 57.108 54.840 0.395 0.000 0.749 390 L CB -1.344 41.050 42.059 0.559 0.000 0.893 390 L HN 0.397 nan 8.230 nan 0.000 0.432 391 G N -1.106 107.782 108.800 0.147 0.000 2.476 391 G HA2 -0.315 3.646 3.960 0.001 0.000 0.218 391 G HA3 -0.315 3.646 3.960 0.001 0.000 0.218 391 G C 1.631 176.576 174.900 0.076 0.000 1.164 391 G CA 1.068 46.225 45.100 0.096 0.000 0.768 391 G HN 0.669 nan 8.290 nan 0.000 0.560 392 A N 0.878 123.753 122.820 0.091 0.000 1.865 392 A HA -0.057 4.263 4.320 0.001 0.000 0.217 392 A C 2.432 180.042 177.584 0.043 0.000 1.191 392 A CA 1.576 53.670 52.037 0.094 0.000 0.623 392 A CB -0.465 18.673 19.000 0.230 0.000 0.826 392 A HN 0.393 nan 8.150 nan 0.000 0.444 393 I N -0.194 120.415 120.570 0.065 0.000 2.163 393 I HA -0.297 3.873 4.170 0.001 0.000 0.243 393 I C 2.378 178.443 176.117 -0.087 0.000 1.085 393 I CA 1.362 62.589 61.300 -0.122 0.000 1.347 393 I CB -0.387 37.556 38.000 -0.096 0.000 1.044 393 I HN 0.317 nan 8.210 nan 0.000 0.408 394 L N 0.230 121.455 121.223 0.004 0.000 2.083 394 L HA -0.225 4.115 4.340 0.001 0.000 0.209 394 L C 2.267 179.135 176.870 -0.003 0.000 1.083 394 L CA 1.182 56.026 54.840 0.006 0.000 0.752 394 L CB -0.845 41.227 42.059 0.022 0.000 0.899 394 L HN 0.343 nan 8.230 nan 0.000 0.433 395 N N 0.300 118.998 118.700 -0.003 0.000 2.188 395 N HA -0.178 4.562 4.740 0.001 0.000 0.184 395 N C 1.928 177.427 175.510 -0.018 0.000 1.018 395 N CA 1.077 54.123 53.050 -0.006 0.000 0.858 395 N CB -0.200 38.286 38.487 -0.003 0.000 0.989 395 N HN 0.278 nan 8.380 nan 0.000 0.426 396 R N 1.027 121.500 120.500 -0.046 0.000 2.073 396 R HA 0.015 4.356 4.340 0.001 0.000 0.234 396 R C 2.222 178.524 176.300 0.003 0.000 1.134 396 R CA 0.971 57.038 56.100 -0.054 0.000 0.952 396 R CB -0.427 29.790 30.300 -0.139 0.000 0.850 396 R HN 0.132 nan 8.270 nan 0.000 0.433 397 L N 0.266 121.495 121.223 0.010 0.000 2.042 397 L HA -0.175 4.165 4.340 0.001 0.000 0.210 397 L C 2.942 179.842 176.870 0.049 0.000 1.076 397 L CA 1.625 56.504 54.840 0.065 0.000 0.749 397 L CB -0.502 41.600 42.059 0.071 0.000 0.893 397 L HN 0.293 nan 8.230 nan 0.000 0.432 398 R N 0.138 120.653 120.500 0.026 0.000 2.091 398 R HA -0.188 4.153 4.340 0.001 0.000 0.238 398 R C 1.886 178.202 176.300 0.026 0.000 1.136 398 R CA 1.984 58.096 56.100 0.021 0.000 0.959 398 R CB -0.244 30.061 30.300 0.010 0.000 0.856 398 R HN 0.379 nan 8.270 nan 0.000 0.437 399 D N 0.228 120.642 120.400 0.023 0.000 2.123 399 D HA -0.148 4.493 4.640 0.001 0.000 0.196 399 D C 1.562 177.895 176.300 0.056 0.000 0.992 399 D CA 1.078 55.095 54.000 0.028 0.000 0.833 399 D CB -0.464 40.343 40.800 0.010 0.000 0.954 399 D HN 0.210 nan 8.370 nan 0.000 0.455 400 N N 0.629 119.377 118.700 0.080 0.000 2.188 400 N HA -0.081 4.659 4.740 0.001 0.000 0.184 400 N C 1.578 177.131 175.510 0.072 0.000 1.018 400 N CA 0.719 53.838 53.050 0.114 0.000 0.858 400 N CB -0.029 38.546 38.487 0.146 0.000 0.989 400 N HN 0.280 nan 8.380 nan 0.000 0.426 401 K N -0.564 119.869 120.400 0.055 0.000 2.167 401 K HA 0.073 4.394 4.320 0.001 0.000 0.203 401 K C 0.883 177.501 176.600 0.031 0.000 1.052 401 K CA 0.765 57.075 56.287 0.039 0.000 0.956 401 K CB 0.085 32.607 32.500 0.036 0.000 0.735 401 K HN 0.245 nan 8.250 nan 0.000 0.451 402 G N 2.285 111.103 108.800 0.031 0.000 2.147 402 G HA2 -0.260 3.701 3.960 0.001 0.000 0.244 402 G HA3 -0.260 3.701 3.960 0.001 0.000 0.244 402 G C 0.181 175.092 174.900 0.018 0.000 1.005 402 G CA 0.626 45.741 45.100 0.025 0.000 0.713 402 G HN 0.431 nan 8.290 nan 0.000 0.515 403 T N -3.013 111.550 114.554 0.016 0.000 2.952 403 T HA 0.722 5.072 4.350 0.001 0.000 0.286 403 T C -0.851 173.853 174.700 0.007 0.000 1.024 403 T CA -1.056 61.050 62.100 0.010 0.000 1.029 403 T CB 2.499 71.373 68.868 0.009 0.000 1.094 403 T HN -0.104 nan 8.240 nan 0.000 0.515 404 P HA 0.036 nan 4.420 nan 0.000 0.215 404 P C 0.376 177.675 177.300 -0.000 0.000 1.157 404 P CA 0.946 64.047 63.100 0.002 0.000 0.863 404 P CB 0.230 31.930 31.700 0.001 0.000 0.787 405 R N -0.750 119.748 120.500 -0.003 0.000 2.778 405 R HA 0.593 4.934 4.340 0.001 0.000 0.277 405 R C -0.914 175.379 176.300 -0.011 0.000 0.977 405 R CA -1.104 54.991 56.100 -0.009 0.000 0.950 405 R CB 1.529 31.821 30.300 -0.014 0.000 1.165 405 R HN -0.047 nan 8.270 nan 0.000 0.474 406 L N 1.420 122.633 121.223 -0.017 0.000 2.322 406 L HA 0.467 4.808 4.340 0.001 0.000 0.281 406 L C -0.663 176.183 176.870 -0.040 0.000 1.014 406 L CA -0.248 54.581 54.840 -0.018 0.000 0.815 406 L CB 1.339 43.390 42.059 -0.014 0.000 1.247 406 L HN 0.474 nan 8.230 nan 0.000 0.421 407 R N 3.581 124.053 120.500 -0.047 0.000 2.409 407 R HA 0.661 5.001 4.340 0.001 0.000 0.313 407 R C -1.343 174.911 176.300 -0.076 0.000 0.953 407 R CA -0.160 55.885 56.100 -0.092 0.000 0.849 407 R CB 1.461 31.673 30.300 -0.146 0.000 1.171 407 R HN 0.829 nan 8.270 nan 0.000 0.458 408 T N 1.356 115.856 114.554 -0.091 0.000 2.802 408 T HA 0.370 4.721 4.350 0.001 0.000 0.311 408 T C -1.396 173.249 174.700 -0.092 0.000 1.405 408 T CA -0.238 61.835 62.100 -0.044 0.000 1.016 408 T CB 1.929 70.783 68.868 -0.022 0.000 1.352 408 T HN 0.459 nan 8.240 nan 0.000 0.498 409 T N 2.018 116.551 114.554 -0.035 0.000 2.829 409 T HA 0.628 4.979 4.350 0.001 0.000 0.280 409 T C -0.749 173.907 174.700 -0.074 0.000 0.999 409 T CA -0.430 61.625 62.100 -0.075 0.000 0.983 409 T CB 1.290 70.161 68.868 0.005 0.000 0.968 409 T HN 0.425 nan 8.240 nan 0.000 0.446 410 V N 2.968 122.796 119.914 -0.143 0.000 2.347 410 V HA 0.616 4.736 4.120 0.001 0.000 0.280 410 V C 0.829 176.957 176.094 0.057 0.000 1.021 410 V CA -0.788 61.489 62.300 -0.039 0.000 0.847 410 V CB 1.430 33.231 31.823 -0.036 0.000 0.990 410 V HN 1.022 nan 8.190 nan 0.000 0.444 411 G N 4.018 112.854 108.800 0.061 0.000 2.353 411 G HA2 0.560 4.521 3.960 0.001 0.000 0.284 411 G HA3 0.560 4.521 3.960 0.001 0.000 0.284 411 G C -0.736 174.194 174.900 0.050 0.000 1.172 411 G CA -0.204 44.938 45.100 0.069 0.000 0.854 411 G HN 0.568 nan 8.290 nan 0.000 0.485 412 V N 2.268 122.199 119.914 0.028 0.000 2.823 412 V HA 0.657 4.777 4.120 0.001 0.000 0.312 412 V C -0.719 175.305 176.094 -0.117 0.000 1.072 412 V CA -0.810 61.413 62.300 -0.130 0.000 0.937 412 V CB 2.185 33.736 31.823 -0.453 0.000 1.013 412 V HN 0.780 nan 8.190 nan 0.000 0.430 413 D N 0.226 120.540 120.400 -0.142 0.000 2.626 413 D HA 0.759 5.399 4.640 0.001 0.000 0.278 413 D C -0.433 175.839 176.300 -0.047 0.000 1.211 413 D CA 0.710 54.683 54.000 -0.044 0.000 0.903 413 D CB 2.419 43.210 40.800 -0.016 0.000 1.408 413 D HN 1.136 nan 8.370 nan 0.000 0.454 414 G N -0.235 108.569 108.800 0.007 0.000 2.653 414 G HA2 0.041 4.002 3.960 0.001 0.000 0.656 414 G HA3 0.041 4.002 3.960 0.001 0.000 0.656 414 G C 0.489 175.405 174.900 0.027 0.000 1.419 414 G CA 0.232 45.331 45.100 -0.001 0.000 0.862 414 G HN 0.280 nan 8.290 nan 0.000 0.639 415 S N 0.424 116.123 115.700 -0.002 0.000 2.370 415 S HA -0.155 4.315 4.470 0.001 0.000 0.226 415 S C 2.549 177.134 174.600 -0.025 0.000 1.033 415 S CA 1.872 60.069 58.200 -0.005 0.000 1.011 415 S CB -0.228 62.961 63.200 -0.019 0.000 0.852 415 S HN 1.037 nan 8.310 nan 0.000 0.457 416 L N 0.703 121.877 121.223 -0.082 0.000 1.989 416 L HA -0.104 4.237 4.340 0.001 0.000 0.211 416 L C 2.018 178.766 176.870 -0.204 0.000 1.071 416 L CA 1.888 56.613 54.840 -0.192 0.000 0.749 416 L CB -0.971 40.879 42.059 -0.348 0.000 0.890 416 L HN 0.409 nan 8.230 nan 0.000 0.431 417 Y N -0.039 120.089 120.300 -0.287 0.000 2.242 417 Y HA -0.208 4.342 4.550 0.001 0.000 0.291 417 Y C 2.425 178.305 175.900 -0.033 0.000 1.137 417 Y CA 1.944 59.944 58.100 -0.166 0.000 1.181 417 Y CB -0.022 38.381 38.460 -0.096 0.000 0.989 417 Y HN 0.183 nan 8.280 nan 0.000 0.527 418 K N -0.970 119.512 120.400 0.136 0.000 2.116 418 K HA -0.072 4.248 4.320 0.001 0.000 0.203 418 K C 1.937 178.538 176.600 0.001 0.000 1.052 418 K CA 1.689 58.023 56.287 0.078 0.000 0.952 418 K CB -0.050 32.517 32.500 0.112 0.000 0.729 418 K HN 0.475 nan 8.250 nan 0.000 0.446 419 T N -2.648 111.903 114.554 -0.005 0.000 3.015 419 T HA 0.010 4.360 4.350 0.001 0.000 0.250 419 T C 0.734 175.426 174.700 -0.014 0.000 1.057 419 T CA -0.226 61.865 62.100 -0.016 0.000 1.066 419 T CB -0.112 68.744 68.868 -0.020 0.000 0.959 419 T HN 0.073 nan 8.240 nan 0.000 0.488 420 H N 3.453 122.467 119.070 -0.093 0.000 2.848 420 H HA 0.158 4.715 4.556 0.001 0.000 0.341 420 H C -1.647 173.644 175.328 -0.061 0.000 1.060 420 H CA -1.308 54.700 56.048 -0.067 0.000 1.444 420 H CB 1.726 31.454 29.762 -0.057 0.000 1.446 420 H HN 0.065 nan 8.280 nan 0.000 0.583 421 P HA -0.077 nan 4.420 nan 0.000 0.223 421 P C 0.574 177.878 177.300 0.006 0.000 1.151 421 P CA 0.988 64.020 63.100 -0.114 0.000 0.787 421 P CB 0.603 32.199 31.700 -0.173 0.000 0.788 422 Q N -2.923 117.013 119.800 0.228 0.000 2.288 422 Q HA 0.092 4.432 4.340 0.001 0.000 0.256 422 Q C 1.867 177.875 176.000 0.013 0.000 0.835 422 Q CA 0.027 55.898 55.803 0.113 0.000 0.958 422 Q CB -0.772 28.012 28.738 0.077 0.000 1.125 422 Q HN 0.252 nan 8.270 nan 0.000 0.513 423 Y N 3.212 123.498 120.300 -0.022 0.000 2.030 423 Y HA -0.352 4.199 4.550 0.001 0.000 0.274 423 Y C 2.571 178.271 175.900 -0.333 0.000 1.153 423 Y CA 2.820 60.716 58.100 -0.341 0.000 1.115 423 Y CB -0.091 38.092 38.460 -0.461 0.000 0.969 423 Y HN 0.214 nan 8.280 nan 0.000 0.488 424 S N 0.324 115.916 115.700 -0.180 0.000 2.370 424 S HA -0.316 4.154 4.470 0.001 0.000 0.226 424 S C 2.081 176.262 174.600 -0.698 0.000 1.033 424 S CA 1.469 59.339 58.200 -0.550 0.000 1.011 424 S CB -0.787 61.794 63.200 -1.031 0.000 0.852 424 S HN 0.568 nan 8.310 nan 0.000 0.457 425 R N 1.538 121.802 120.500 -0.393 0.000 2.080 425 R HA -0.076 4.264 4.340 0.001 0.000 0.236 425 R C 2.631 178.760 176.300 -0.285 0.000 1.137 425 R CA 1.575 57.521 56.100 -0.258 0.000 0.943 425 R CB -0.213 30.003 30.300 -0.140 0.000 0.846 425 R HN 0.409 nan 8.270 nan 0.000 0.431 426 R N -0.578 119.692 120.500 -0.382 0.000 2.075 426 R HA -0.138 4.202 4.340 0.001 0.000 0.232 426 R C 2.234 178.352 176.300 -0.304 0.000 1.126 426 R CA 1.803 57.623 56.100 -0.467 0.000 0.963 426 R CB -0.532 29.154 30.300 -1.024 0.000 0.858 426 R HN 0.305 nan 8.270 nan 0.000 0.435 427 F N 1.071 120.706 119.950 -0.525 0.000 2.069 427 F HA -0.291 4.236 4.527 0.001 0.000 0.298 427 F C 1.977 177.652 175.800 -0.207 0.000 1.113 427 F CA 1.904 59.679 58.000 -0.374 0.000 1.214 427 F CB -0.243 38.517 39.000 -0.399 0.000 0.978 427 F HN 0.108 nan 8.300 nan 0.000 0.474 428 H N -0.209 118.502 119.070 -0.597 0.000 2.319 428 H HA -0.205 4.352 4.556 0.001 0.000 0.299 428 H C 2.290 177.448 175.328 -0.284 0.000 1.092 428 H CA 1.639 57.283 56.048 -0.674 0.000 1.302 428 H CB -0.305 29.179 29.762 -0.465 0.000 1.373 428 H HN 0.274 nan 8.280 nan 0.000 0.497 429 K N 0.417 120.785 120.400 -0.053 0.000 1.991 429 K HA -0.171 4.149 4.320 0.001 0.000 0.212 429 K C 2.121 178.724 176.600 0.005 0.000 1.049 429 K CA 2.117 58.403 56.287 -0.002 0.000 0.932 429 K CB -0.079 32.425 32.500 0.007 0.000 0.717 429 K HN 0.217 nan 8.250 nan 0.000 0.441 430 T N 2.064 116.621 114.554 0.005 0.000 2.720 430 T HA -0.185 4.166 4.350 0.001 0.000 0.268 430 T C 1.790 176.498 174.700 0.012 0.000 1.037 430 T CA 1.440 63.565 62.100 0.041 0.000 1.144 430 T CB -0.289 68.637 68.868 0.097 0.000 0.864 430 T HN 0.221 nan 8.240 nan 0.000 0.444 431 L N 1.137 122.326 121.223 -0.056 0.000 1.989 431 L HA -0.138 4.202 4.340 0.001 0.000 0.211 431 L C 2.590 179.477 176.870 0.029 0.000 1.071 431 L CA 1.778 56.601 54.840 -0.027 0.000 0.749 431 L CB -0.280 41.713 42.059 -0.110 0.000 0.890 431 L HN 0.080 nan 8.230 nan 0.000 0.431 432 R N -0.964 119.558 120.500 0.037 0.000 2.096 432 R HA -0.165 4.176 4.340 0.001 0.000 0.235 432 R C 2.466 178.785 176.300 0.031 0.000 1.127 432 R CA 1.520 57.648 56.100 0.046 0.000 0.968 432 R CB -0.465 29.870 30.300 0.058 0.000 0.861 432 R HN 0.377 nan 8.270 nan 0.000 0.440 433 R N 0.973 121.490 120.500 0.028 0.000 2.081 433 R HA -0.064 4.276 4.340 0.001 0.000 0.235 433 R C 1.998 178.313 176.300 0.025 0.000 1.131 433 R CA 1.196 57.312 56.100 0.026 0.000 0.960 433 R CB -0.107 30.210 30.300 0.028 0.000 0.856 433 R HN 0.202 nan 8.270 nan 0.000 0.436 434 L N 0.124 121.365 121.223 0.029 0.000 2.313 434 L HA 0.020 4.360 4.340 0.001 0.000 0.214 434 L C 0.180 177.067 176.870 0.028 0.000 1.119 434 L CA 0.332 55.190 54.840 0.031 0.000 0.809 434 L CB 0.579 42.662 42.059 0.041 0.000 0.933 434 L HN -0.022 nan 8.230 nan 0.000 0.449 435 V N 0.646 120.577 119.914 0.028 0.000 2.313 435 V HA 0.174 4.295 4.120 0.001 0.000 0.262 435 V C -1.510 174.592 176.094 0.015 0.000 1.011 435 V CA -0.716 61.598 62.300 0.022 0.000 0.858 435 V CB 0.822 32.660 31.823 0.026 0.000 1.104 435 V HN 0.025 nan 8.190 nan 0.000 0.456 436 P HA -0.041 nan 4.420 nan 0.000 0.229 436 P C 0.524 177.826 177.300 0.003 0.000 1.160 436 P CA 0.846 63.951 63.100 0.009 0.000 0.777 436 P CB 0.579 32.285 31.700 0.009 0.000 0.814 437 D N 0.082 120.483 120.400 0.002 0.000 2.355 437 D HA -0.001 4.639 4.640 0.001 0.000 0.218 437 D C 0.879 177.173 176.300 -0.009 0.000 1.004 437 D CA 0.591 54.590 54.000 -0.002 0.000 0.880 437 D CB 0.088 40.888 40.800 -0.000 0.000 0.911 437 D HN 0.299 nan 8.370 nan 0.000 0.528 438 S N 0.204 115.897 115.700 -0.012 0.000 2.509 438 S HA 0.443 4.914 4.470 0.001 0.000 0.297 438 S C -0.578 173.999 174.600 -0.038 0.000 1.118 438 S CA -0.942 57.243 58.200 -0.026 0.000 1.074 438 S CB 2.240 65.424 63.200 -0.026 0.000 1.038 438 S HN -0.260 nan 8.310 nan 0.000 0.498 439 D N 1.939 122.305 120.400 -0.057 0.000 2.473 439 D HA 0.470 5.111 4.640 0.001 0.000 0.226 439 D C -0.772 175.460 176.300 -0.114 0.000 1.089 439 D CA -0.211 53.746 54.000 -0.072 0.000 0.883 439 D CB 1.199 41.956 40.800 -0.073 0.000 1.029 439 D HN 0.376 nan 8.370 nan 0.000 0.517 440 V N 2.365 122.196 119.914 -0.139 0.000 2.435 440 V HA 0.441 4.562 4.120 0.001 0.000 0.290 440 V C 0.356 176.249 176.094 -0.335 0.000 1.030 440 V CA -0.937 61.202 62.300 -0.268 0.000 0.881 440 V CB 1.979 33.594 31.823 -0.348 0.000 0.983 440 V HN 0.323 nan 8.190 nan 0.000 0.445 441 R N 3.479 123.760 120.500 -0.366 0.000 2.460 441 R HA 0.575 4.915 4.340 0.001 0.000 0.303 441 R C -1.738 174.301 176.300 -0.434 0.000 0.968 441 R CA -0.485 55.452 56.100 -0.273 0.000 0.889 441 R CB 1.039 31.263 30.300 -0.127 0.000 1.123 441 R HN 0.532 nan 8.270 nan 0.000 0.455 442 F N 4.644 124.548 119.950 -0.076 0.000 2.411 442 F HA 0.371 4.898 4.527 0.001 0.000 0.352 442 F C -0.326 175.515 175.800 0.068 0.000 1.123 442 F CA -0.892 57.112 58.000 0.006 0.000 1.044 442 F CB 1.572 40.556 39.000 -0.026 0.000 1.135 442 F HN 0.285 nan 8.300 nan 0.000 0.461 443 L N 5.392 126.754 121.223 0.232 0.000 2.319 443 L HA 0.540 4.880 4.340 0.001 0.000 0.281 443 L C -0.957 176.037 176.870 0.207 0.000 1.005 443 L CA -0.811 54.139 54.840 0.184 0.000 0.828 443 L CB 1.165 43.292 42.059 0.112 0.000 1.227 443 L HN 0.556 nan 8.230 nan 0.000 0.415 444 L N 3.737 125.100 121.223 0.233 0.000 2.416 444 L HA 0.335 4.676 4.340 0.001 0.000 0.272 444 L C 0.433 177.390 176.870 0.145 0.000 1.161 444 L CA 0.678 55.657 54.840 0.231 0.000 0.845 444 L CB 1.344 43.570 42.059 0.278 0.000 1.119 444 L HN 0.718 nan 8.230 nan 0.000 0.464 445 S N 3.426 119.193 115.700 0.112 0.000 2.681 445 S HA 0.179 4.649 4.470 0.001 0.000 0.313 445 S C 0.900 175.545 174.600 0.076 0.000 1.137 445 S CA -0.314 57.933 58.200 0.078 0.000 1.045 445 S CB -0.319 62.911 63.200 0.049 0.000 1.208 445 S HN 0.858 nan 8.310 nan 0.000 0.523 446 E N 2.217 122.463 120.200 0.077 0.000 2.285 446 E HA -0.017 4.333 4.350 0.001 0.000 0.194 446 E C 1.363 177.990 176.600 0.045 0.000 0.997 446 E CA 0.495 56.935 56.400 0.065 0.000 0.845 446 E CB 0.132 29.870 29.700 0.065 0.000 0.782 446 E HN 0.544 nan 8.360 nan 0.000 0.491 447 S N -0.132 115.591 115.700 0.039 0.000 2.558 447 S HA 0.192 4.662 4.470 0.001 0.000 0.217 447 S C 0.628 175.239 174.600 0.019 0.000 0.975 447 S CA 0.410 58.624 58.200 0.023 0.000 0.912 447 S CB 0.524 63.733 63.200 0.015 0.000 0.776 447 S HN 0.475 nan 8.310 nan 0.000 0.526 448 G N 0.978 109.792 108.800 0.024 0.000 2.746 448 G HA2 -0.208 3.753 3.960 0.001 0.000 0.685 448 G HA3 -0.208 3.753 3.960 0.001 0.000 0.685 448 G C 0.547 175.455 174.900 0.013 0.000 1.350 448 G CA -0.123 44.990 45.100 0.021 0.000 0.837 448 G HN 0.131 nan 8.290 nan 0.000 0.564 449 S N -0.282 115.425 115.700 0.012 0.000 2.419 449 S HA -0.042 4.429 4.470 0.001 0.000 0.233 449 S C 2.714 177.316 174.600 0.004 0.000 1.016 449 S CA 2.264 60.467 58.200 0.005 0.000 0.974 449 S CB -0.804 62.402 63.200 0.010 0.000 0.786 449 S HN 1.992 nan 8.310 nan 0.000 0.492 450 G N 1.291 110.098 108.800 0.011 0.000 2.469 450 G HA2 -0.310 3.650 3.960 0.001 0.000 0.219 450 G HA3 -0.310 3.650 3.960 0.001 0.000 0.219 450 G C 1.378 176.264 174.900 -0.024 0.000 1.150 450 G CA 1.324 46.427 45.100 0.005 0.000 0.763 450 G HN 0.609 nan 8.290 nan 0.000 0.561 451 K N 0.267 120.645 120.400 -0.036 0.000 2.026 451 K HA -0.004 4.317 4.320 0.001 0.000 0.208 451 K C 2.628 179.161 176.600 -0.111 0.000 1.048 451 K CA 1.620 57.858 56.287 -0.081 0.000 0.929 451 K CB -0.685 31.765 32.500 -0.083 0.000 0.713 451 K HN 0.212 nan 8.250 nan 0.000 0.439 452 G N 0.303 109.063 108.800 -0.067 0.000 2.421 452 G HA2 -0.262 3.698 3.960 0.001 0.000 0.216 452 G HA3 -0.262 3.698 3.960 0.001 0.000 0.216 452 G C 1.616 176.474 174.900 -0.070 0.000 1.171 452 G CA 0.924 45.991 45.100 -0.055 0.000 0.775 452 G HN 0.458 nan 8.290 nan 0.000 0.543 453 A N 1.345 124.133 122.820 -0.054 0.000 1.892 453 A HA 0.122 4.442 4.320 0.001 0.000 0.218 453 A C 2.843 180.347 177.584 -0.133 0.000 1.188 453 A CA 2.615 54.619 52.037 -0.055 0.000 0.631 453 A CB -0.949 18.048 19.000 -0.005 0.000 0.822 453 A HN 0.920 nan 8.150 nan 0.000 0.447 454 A N -1.064 121.654 122.820 -0.170 0.000 1.940 454 A HA -0.159 4.161 4.320 0.001 0.000 0.219 454 A C 2.161 179.452 177.584 -0.488 0.000 1.176 454 A CA 2.093 53.921 52.037 -0.349 0.000 0.631 454 A CB -0.483 18.399 19.000 -0.197 0.000 0.814 454 A HN 0.455 nan 8.150 nan 0.000 0.446 455 M N -0.595 118.841 119.600 -0.274 0.000 2.132 455 M HA -0.079 4.402 4.480 0.001 0.000 0.263 455 M C 2.219 178.413 176.300 -0.176 0.000 1.065 455 M CA 1.173 56.353 55.300 -0.199 0.000 1.122 455 M CB -1.468 31.082 32.600 -0.083 0.000 1.365 455 M HN 0.233 nan 8.290 nan 0.000 0.411 456 V N 0.275 120.102 119.914 -0.145 0.000 2.295 456 V HA -0.256 3.865 4.120 0.001 0.000 0.246 456 V C 2.439 178.451 176.094 -0.137 0.000 1.049 456 V CA 2.188 64.428 62.300 -0.099 0.000 1.024 456 V CB -1.177 30.609 31.823 -0.061 0.000 0.648 456 V HN 0.463 nan 8.190 nan 0.000 0.447 457 T N 0.486 114.899 114.554 -0.235 0.000 2.684 457 T HA -0.234 4.117 4.350 0.001 0.000 0.267 457 T C 2.082 176.603 174.700 -0.298 0.000 1.036 457 T CA 1.786 63.725 62.100 -0.267 0.000 1.148 457 T CB -0.569 68.074 68.868 -0.376 0.000 0.863 457 T HN 0.583 nan 8.240 nan 0.000 0.436 458 A N 1.009 123.468 122.820 -0.602 0.000 1.903 458 A HA -0.138 4.183 4.320 0.001 0.000 0.219 458 A C 2.619 180.220 177.584 0.029 0.000 1.191 458 A CA 2.023 53.925 52.037 -0.224 0.000 0.638 458 A CB -1.177 17.702 19.000 -0.201 0.000 0.823 458 A HN 0.377 nan 8.150 nan 0.000 0.451 459 V N -0.368 119.529 119.914 -0.028 0.000 2.307 459 V HA -0.190 3.931 4.120 0.001 0.000 0.245 459 V C 3.058 179.150 176.094 -0.004 0.000 1.045 459 V CA 1.844 64.145 62.300 0.001 0.000 1.024 459 V CB -1.398 30.420 31.823 -0.009 0.000 0.651 459 V HN 0.645 nan 8.190 nan 0.000 0.449 460 A N -0.582 122.235 122.820 -0.005 0.000 1.892 460 A HA -0.315 4.006 4.320 0.001 0.000 0.218 460 A C 2.195 179.784 177.584 0.009 0.000 1.188 460 A CA 2.401 54.435 52.037 -0.004 0.000 0.631 460 A CB -0.877 18.132 19.000 0.015 0.000 0.822 460 A HN 0.645 nan 8.150 nan 0.000 0.447 461 Y N 0.470 120.751 120.300 -0.033 0.000 2.145 461 Y HA -0.234 4.316 4.550 0.001 0.000 0.286 461 Y C 2.533 178.413 175.900 -0.033 0.000 1.145 461 Y CA 2.255 60.355 58.100 -0.000 0.000 1.148 461 Y CB -0.418 38.101 38.460 0.099 0.000 0.981 461 Y HN 0.360 nan 8.280 nan 0.000 0.507 462 R N 0.137 120.603 120.500 -0.056 0.000 2.091 462 R HA -0.175 4.165 4.340 0.001 0.000 0.238 462 R C 2.095 178.225 176.300 -0.282 0.000 1.136 462 R CA 2.127 58.133 56.100 -0.156 0.000 0.959 462 R CB -0.556 29.736 30.300 -0.013 0.000 0.856 462 R HN 0.496 nan 8.270 nan 0.000 0.437 463 L N 0.041 121.089 121.223 -0.292 0.000 2.109 463 L HA -0.025 4.316 4.340 0.001 0.000 0.207 463 L C 2.705 179.112 176.870 -0.771 0.000 1.086 463 L CA 1.034 55.566 54.840 -0.513 0.000 0.760 463 L CB -0.537 41.294 42.059 -0.380 0.000 0.910 463 L HN 0.358 nan 8.230 nan 0.000 0.437 464 A N -0.404 122.121 122.820 -0.493 0.000 1.972 464 A HA -0.173 4.147 4.320 0.001 0.000 0.219 464 A C 2.203 179.558 177.584 -0.382 0.000 1.169 464 A CA 1.307 53.118 52.037 -0.377 0.000 0.635 464 A CB -0.253 18.622 19.000 -0.209 0.000 0.810 464 A HN 0.323 nan 8.150 nan 0.000 0.446 465 E N -0.477 119.440 120.200 -0.472 0.000 2.072 465 E HA -0.214 4.137 4.350 0.001 0.000 0.190 465 E C 2.194 178.585 176.600 -0.348 0.000 0.982 465 E CA 1.378 57.542 56.400 -0.392 0.000 0.803 465 E CB -0.386 29.042 29.700 -0.454 0.000 0.755 465 E HN 0.890 nan 8.360 nan 0.000 0.453 466 Q N 0.360 119.889 119.800 -0.451 0.000 2.084 466 Q HA -0.190 4.151 4.340 0.001 0.000 0.202 466 Q C 1.844 177.450 176.000 -0.656 0.000 0.978 466 Q CA 1.554 56.940 55.803 -0.695 0.000 0.844 466 Q CB -0.182 28.199 28.738 -0.595 0.000 0.898 466 Q HN 0.521 nan 8.270 nan 0.000 0.426 467 H N -0.547 118.255 119.070 -0.447 0.000 2.353 467 H HA -0.081 4.475 4.556 0.001 0.000 0.300 467 H C 2.327 177.478 175.328 -0.295 0.000 1.090 467 H CA 1.037 56.868 56.048 -0.361 0.000 1.327 467 H CB -0.014 29.598 29.762 -0.250 0.000 1.383 467 H HN 0.208 nan 8.280 nan 0.000 0.508 468 R N 1.320 121.737 120.500 -0.139 0.000 2.083 468 R HA -0.181 4.160 4.340 0.001 0.000 0.237 468 R C 2.025 178.268 176.300 -0.095 0.000 1.137 468 R CA 1.841 57.878 56.100 -0.105 0.000 0.951 468 R CB 0.004 30.244 30.300 -0.100 0.000 0.851 468 R HN 0.474 nan 8.270 nan 0.000 0.434 469 Q N 0.065 119.782 119.800 -0.137 0.000 2.079 469 Q HA -0.121 4.220 4.340 0.001 0.000 0.200 469 Q C 2.264 178.252 176.000 -0.021 0.000 0.974 469 Q CA 1.656 57.441 55.803 -0.030 0.000 0.840 469 Q CB -0.096 28.689 28.738 0.078 0.000 0.898 469 Q HN 0.407 nan 8.270 nan 0.000 0.430 470 I N 0.940 121.349 120.570 -0.268 0.000 2.163 470 I HA -0.286 3.884 4.170 0.001 0.000 0.243 470 I C 2.294 178.420 176.117 0.015 0.000 1.085 470 I CA 1.018 62.182 61.300 -0.226 0.000 1.347 470 I CB -0.283 37.407 38.000 -0.516 0.000 1.044 470 I HN 0.198 nan 8.210 nan 0.000 0.408 471 E N 0.630 120.797 120.200 -0.055 0.000 2.038 471 E HA -0.289 4.062 4.350 0.001 0.000 0.195 471 E C 2.006 178.612 176.600 0.009 0.000 1.000 471 E CA 1.368 57.752 56.400 -0.026 0.000 0.803 471 E CB -0.403 29.258 29.700 -0.065 0.000 0.750 471 E HN 0.516 nan 8.360 nan 0.000 0.448 472 E N 0.059 120.264 120.200 0.009 0.000 2.070 472 E HA -0.182 4.169 4.350 0.001 0.000 0.197 472 E C 1.984 178.615 176.600 0.052 0.000 1.004 472 E CA 1.783 58.181 56.400 -0.004 0.000 0.805 472 E CB 0.068 29.789 29.700 0.035 0.000 0.744 472 E HN 0.144 nan 8.360 nan 0.000 0.451 473 T N 1.286 115.994 114.554 0.257 0.000 2.622 473 T HA -0.174 4.177 4.350 0.001 0.000 0.266 473 T C 1.870 176.831 174.700 0.435 0.000 1.047 473 T CA 1.567 63.943 62.100 0.461 0.000 1.159 473 T CB -0.279 68.926 68.868 0.562 0.000 0.863 473 T HN 0.169 nan 8.240 nan 0.000 0.422 474 L N 0.863 122.269 121.223 0.305 0.000 2.265 474 L HA -0.011 4.329 4.340 0.001 0.000 0.215 474 L C 2.910 179.943 176.870 0.271 0.000 1.117 474 L CA 0.798 55.800 54.840 0.270 0.000 0.782 474 L CB -0.680 41.450 42.059 0.119 0.000 0.914 474 L HN 0.222 nan 8.230 nan 0.000 0.441 475 A N -0.396 122.481 122.820 0.095 0.000 2.070 475 A HA -0.219 4.102 4.320 0.001 0.000 0.220 475 A C 1.892 179.504 177.584 0.047 0.000 1.159 475 A CA 1.388 53.432 52.037 0.011 0.000 0.656 475 A CB -0.808 18.113 19.000 -0.132 0.000 0.800 475 A HN 0.488 nan 8.150 nan 0.000 0.453 476 H N -2.241 116.946 119.070 0.195 0.000 2.456 476 H HA -0.048 4.509 4.556 0.001 0.000 0.296 476 H C 1.182 176.483 175.328 -0.045 0.000 1.079 476 H CA 1.665 57.741 56.048 0.047 0.000 1.322 476 H CB -0.150 29.598 29.762 -0.024 0.000 1.388 476 H HN 0.601 nan 8.280 nan 0.000 0.538 477 F N -0.923 119.138 119.950 0.184 0.000 2.743 477 F HA 0.042 4.570 4.527 0.001 0.000 0.297 477 F C 1.021 176.875 175.800 0.090 0.000 1.131 477 F CA 0.053 58.123 58.000 0.116 0.000 1.426 477 F CB -0.201 38.845 39.000 0.076 0.000 1.116 477 F HN 0.172 nan 8.300 nan 0.000 0.583 478 H N 1.294 120.466 119.070 0.171 0.000 2.803 478 H HA 0.405 4.961 4.556 0.001 0.000 0.330 478 H C -0.696 174.663 175.328 0.052 0.000 1.057 478 H CA 0.046 56.145 56.048 0.085 0.000 1.458 478 H CB 0.379 30.169 29.762 0.047 0.000 1.470 478 H HN 0.002 nan 8.280 nan 0.000 0.560 479 L N 5.492 126.434 121.223 -0.469 0.000 2.325 479 L HA 0.297 4.637 4.340 0.001 0.000 0.281 479 L C 0.417 177.068 176.870 -0.365 0.000 1.004 479 L CA -0.876 53.804 54.840 -0.267 0.000 0.823 479 L CB 1.807 43.784 42.059 -0.137 0.000 1.236 479 L HN 0.771 nan 8.230 nan 0.000 0.415 480 T N -1.732 112.739 114.554 -0.138 0.000 2.788 480 T HA 0.134 4.484 4.350 0.001 0.000 0.287 480 T C 1.042 175.714 174.700 -0.048 0.000 1.007 480 T CA -0.583 61.490 62.100 -0.046 0.000 1.005 480 T CB 1.518 70.420 68.868 0.056 0.000 1.012 480 T HN 0.663 nan 8.240 nan 0.000 0.530 481 K N 0.283 120.671 120.400 -0.020 0.000 2.044 481 K HA -0.210 4.110 4.320 0.001 0.000 0.210 481 K C 1.563 178.160 176.600 -0.005 0.000 1.049 481 K CA 2.041 58.320 56.287 -0.014 0.000 0.927 481 K CB -0.392 32.108 32.500 -0.000 0.000 0.713 481 K HN 0.614 nan 8.250 nan 0.000 0.443 482 D N 0.390 120.793 120.400 0.004 0.000 2.149 482 D HA -0.171 4.470 4.640 0.001 0.000 0.198 482 D C 1.934 178.236 176.300 0.004 0.000 0.990 482 D CA 1.301 55.304 54.000 0.006 0.000 0.839 482 D CB -0.055 40.752 40.800 0.011 0.000 0.948 482 D HN 0.338 nan 8.370 nan 0.000 0.460 483 M N -0.236 119.364 119.600 0.000 0.000 2.099 483 M HA -0.087 4.394 4.480 0.001 0.000 0.262 483 M C 2.251 178.549 176.300 -0.002 0.000 1.067 483 M CA 0.923 56.222 55.300 -0.002 0.000 1.124 483 M CB -0.080 32.516 32.600 -0.007 0.000 1.353 483 M HN -0.013 nan 8.290 nan 0.000 0.410 484 L N -0.112 121.105 121.223 -0.011 0.000 2.046 484 L HA -0.232 4.108 4.340 0.001 0.000 0.208 484 L C 2.298 179.172 176.870 0.007 0.000 1.077 484 L CA 1.130 55.968 54.840 -0.003 0.000 0.747 484 L CB -0.590 41.457 42.059 -0.020 0.000 0.896 484 L HN 0.347 nan 8.230 nan 0.000 0.432 485 L N -0.426 120.799 121.223 0.004 0.000 2.131 485 L HA -0.221 4.119 4.340 0.001 0.000 0.210 485 L C 2.567 179.442 176.870 0.009 0.000 1.092 485 L CA 0.989 55.833 54.840 0.006 0.000 0.759 485 L CB -0.334 41.728 42.059 0.005 0.000 0.903 485 L HN 0.272 nan 8.230 nan 0.000 0.435 486 E N -0.028 120.179 120.200 0.011 0.000 2.107 486 E HA -0.132 4.218 4.350 0.001 0.000 0.191 486 E C 2.063 178.684 176.600 0.034 0.000 0.982 486 E CA 0.955 57.364 56.400 0.016 0.000 0.809 486 E CB -0.035 29.671 29.700 0.010 0.000 0.756 486 E HN 0.183 nan 8.360 nan 0.000 0.459 487 V N 1.324 121.264 119.914 0.043 0.000 2.343 487 V HA -0.244 3.876 4.120 0.001 0.000 0.247 487 V C 2.504 178.647 176.094 0.080 0.000 1.051 487 V CA 2.108 64.466 62.300 0.097 0.000 1.036 487 V CB -0.597 31.285 31.823 0.099 0.000 0.654 487 V HN 0.328 nan 8.190 nan 0.000 0.451 488 K N 0.563 120.974 120.400 0.019 0.000 2.009 488 K HA -0.284 4.036 4.320 0.001 0.000 0.210 488 K C 2.339 178.920 176.600 -0.032 0.000 1.049 488 K CA 2.157 58.429 56.287 -0.025 0.000 0.929 488 K CB -0.242 32.251 32.500 -0.012 0.000 0.714 488 K HN 0.372 nan 8.250 nan 0.000 0.440 489 K N 0.589 120.987 120.400 -0.002 0.000 2.063 489 K HA -0.175 4.145 4.320 0.001 0.000 0.208 489 K C 2.187 178.794 176.600 0.012 0.000 1.048 489 K CA 1.533 57.820 56.287 -0.000 0.000 0.928 489 K CB -0.005 32.500 32.500 0.008 0.000 0.713 489 K HN 0.181 nan 8.250 nan 0.000 0.442 490 R N -0.034 120.502 120.500 0.060 0.000 2.081 490 R HA -0.142 4.198 4.340 0.001 0.000 0.235 490 R C 2.393 178.750 176.300 0.096 0.000 1.131 490 R CA 1.638 57.819 56.100 0.134 0.000 0.960 490 R CB -0.395 30.038 30.300 0.222 0.000 0.856 490 R HN 0.233 nan 8.270 nan 0.000 0.436 491 M N 1.050 120.565 119.600 -0.142 0.000 2.108 491 M HA -0.162 4.319 4.480 0.001 0.000 0.261 491 M C 2.130 178.264 176.300 -0.275 0.000 1.066 491 M CA 1.677 56.607 55.300 -0.618 0.000 1.107 491 M CB -0.184 31.898 32.600 -0.863 0.000 1.356 491 M HN -0.157 nan 8.290 nan 0.000 0.406 492 R N 0.406 120.819 120.500 -0.146 0.000 2.081 492 R HA 0.023 4.363 4.340 0.001 0.000 0.235 492 R C 2.019 178.292 176.300 -0.045 0.000 1.131 492 R CA 2.117 58.166 56.100 -0.086 0.000 0.960 492 R CB -1.194 29.072 30.300 -0.057 0.000 0.856 492 R HN 0.477 nan 8.270 nan 0.000 0.436 493 A N 0.947 123.754 122.820 -0.021 0.000 1.883 493 A HA -0.143 4.178 4.320 0.001 0.000 0.217 493 A C 1.918 179.514 177.584 0.019 0.000 1.186 493 A CA 1.732 53.774 52.037 0.009 0.000 0.624 493 A CB -0.535 18.482 19.000 0.028 0.000 0.822 493 A HN 0.420 nan 8.150 nan 0.000 0.444 494 E N -0.298 119.915 120.200 0.022 0.000 2.153 494 E HA -0.165 4.186 4.350 0.001 0.000 0.194 494 E C 2.018 178.633 176.600 0.025 0.000 0.988 494 E CA 1.188 57.612 56.400 0.040 0.000 0.811 494 E CB -0.462 29.284 29.700 0.076 0.000 0.746 494 E HN 0.754 nan 8.360 nan 0.000 0.466 495 M N 0.604 120.199 119.600 -0.009 0.000 2.086 495 M HA -0.148 4.332 4.480 0.001 0.000 0.261 495 M C 2.053 178.385 176.300 0.053 0.000 1.067 495 M CA 1.294 56.612 55.300 0.030 0.000 1.116 495 M CB -0.173 32.431 32.600 0.006 0.000 1.348 495 M HN -0.074 nan 8.290 nan 0.000 0.407 496 E N 0.709 120.930 120.200 0.034 0.000 2.077 496 E HA -0.151 4.199 4.350 0.001 0.000 0.193 496 E C 2.128 178.759 176.600 0.052 0.000 0.989 496 E CA 1.274 57.697 56.400 0.039 0.000 0.800 496 E CB -0.577 29.138 29.700 0.025 0.000 0.746 496 E HN 0.535 nan 8.360 nan 0.000 0.452 497 L N 0.348 121.604 121.223 0.054 0.000 2.042 497 L HA -0.154 4.186 4.340 0.001 0.000 0.210 497 L C 2.533 179.464 176.870 0.102 0.000 1.076 497 L CA 1.548 56.426 54.840 0.063 0.000 0.749 497 L CB -0.708 41.382 42.059 0.052 0.000 0.893 497 L HN 0.201 nan 8.230 nan 0.000 0.432 498 G N -0.558 108.317 108.800 0.126 0.000 2.421 498 G HA2 -0.130 3.831 3.960 0.001 0.000 0.217 498 G HA3 -0.130 3.831 3.960 0.001 0.000 0.217 498 G C 1.608 176.632 174.900 0.206 0.000 1.143 498 G CA 0.253 45.495 45.100 0.238 0.000 0.784 498 G HN 0.233 nan 8.290 nan 0.000 0.541 499 L N -0.423 120.859 121.223 0.097 0.000 2.240 499 L HA 0.172 4.512 4.340 0.001 0.000 0.211 499 L C 1.499 178.379 176.870 0.016 0.000 1.106 499 L CA 0.134 54.990 54.840 0.027 0.000 0.793 499 L CB -0.024 42.051 42.059 0.027 0.000 0.927 499 L HN 0.017 nan 8.230 nan 0.000 0.446 500 R N 0.135 120.668 120.500 0.055 0.000 2.390 500 R HA 0.043 4.383 4.340 0.001 0.000 0.291 500 R C 1.199 177.544 176.300 0.076 0.000 1.070 500 R CA -0.066 56.063 56.100 0.048 0.000 1.014 500 R CB 0.983 31.310 30.300 0.046 0.000 1.007 500 R HN -0.052 nan 8.270 nan 0.000 0.466 501 K N 2.165 122.594 120.400 0.047 0.000 2.009 501 K HA -0.321 4.000 4.320 0.001 0.000 0.210 501 K C 1.828 178.473 176.600 0.074 0.000 1.049 501 K CA 2.061 58.383 56.287 0.058 0.000 0.929 501 K CB 0.095 32.612 32.500 0.029 0.000 0.714 501 K HN 0.600 nan 8.250 nan 0.000 0.440 502 Q N -0.028 119.802 119.800 0.051 0.000 2.062 502 Q HA -0.190 4.151 4.340 0.001 0.000 0.209 502 Q C 1.484 177.513 176.000 0.048 0.000 0.996 502 Q CA 2.840 58.668 55.803 0.042 0.000 0.859 502 Q CB -0.187 28.569 28.738 0.030 0.000 0.920 502 Q HN 0.480 nan 8.270 nan 0.000 0.415 503 T N -3.008 111.581 114.554 0.059 0.000 3.040 503 T HA 0.021 4.371 4.350 0.001 0.000 0.250 503 T C 1.538 176.271 174.700 0.055 0.000 1.058 503 T CA 0.284 62.413 62.100 0.048 0.000 0.988 503 T CB -0.167 68.726 68.868 0.043 0.000 0.993 503 T HN 0.434 nan 8.240 nan 0.000 0.519 504 H N 2.175 121.255 119.070 0.017 0.000 2.353 504 H HA -0.104 4.453 4.556 0.001 0.000 0.298 504 H C 1.491 176.832 175.328 0.023 0.000 1.103 504 H CA 1.783 57.843 56.048 0.020 0.000 1.293 504 H CB -0.078 29.694 29.762 0.017 0.000 1.372 504 H HN 0.256 nan 8.280 nan 0.000 0.501 505 N N 0.804 119.378 118.700 -0.210 0.000 2.289 505 N HA -0.112 4.628 4.740 0.001 0.000 0.184 505 N C 0.799 176.200 175.510 -0.183 0.000 1.016 505 N CA 1.090 54.002 53.050 -0.230 0.000 0.872 505 N CB -0.319 38.132 38.487 -0.060 0.000 0.973 505 N HN 0.560 nan 8.380 nan 0.000 0.433 506 N N -0.412 118.219 118.700 -0.114 0.000 2.214 506 N HA 0.240 4.980 4.740 0.001 0.000 0.214 506 N C -0.480 174.995 175.510 -0.059 0.000 1.132 506 N CA -0.309 52.699 53.050 -0.071 0.000 0.856 506 N CB 0.785 39.251 38.487 -0.035 0.000 1.020 506 N HN 0.066 nan 8.380 nan 0.000 0.509 507 A N 0.689 123.457 122.820 -0.086 0.000 2.409 507 A HA 0.212 4.532 4.320 0.001 0.000 0.262 507 A C 1.470 179.046 177.584 -0.014 0.000 1.113 507 A CA -0.465 51.555 52.037 -0.028 0.000 0.790 507 A CB 0.294 19.291 19.000 -0.004 0.000 1.046 507 A HN 0.161 nan 8.150 nan 0.000 0.496 508 V N 1.686 121.620 119.914 0.033 0.000 2.871 508 V HA 0.037 4.158 4.120 0.001 0.000 0.256 508 V C 0.689 176.842 176.094 0.098 0.000 1.082 508 V CA 0.845 63.179 62.300 0.058 0.000 1.105 508 V CB -0.856 31.009 31.823 0.070 0.000 0.713 508 V HN 0.421 nan 8.190 nan 0.000 0.473 509 V N 2.019 122.000 119.914 0.112 0.000 2.288 509 V HA 0.288 4.409 4.120 0.001 0.000 0.266 509 V C 1.252 177.428 176.094 0.138 0.000 1.048 509 V CA -0.414 61.968 62.300 0.136 0.000 0.842 509 V CB 0.510 32.401 31.823 0.114 0.000 1.064 509 V HN 0.430 nan 8.190 nan 0.000 0.472 510 K N 3.809 124.298 120.400 0.148 0.000 2.209 510 K HA 0.006 4.327 4.320 0.001 0.000 0.204 510 K C 0.635 177.382 176.600 0.245 0.000 1.048 510 K CA 0.629 57.049 56.287 0.222 0.000 0.940 510 K CB -0.085 32.540 32.500 0.209 0.000 0.729 510 K HN 0.572 nan 8.250 nan 0.000 0.451 511 M N 0.269 119.957 119.600 0.147 0.000 2.399 511 M HA -0.181 4.300 4.480 0.001 0.000 0.191 511 M C -0.984 175.313 176.300 -0.005 0.000 0.732 511 M CA 0.802 56.150 55.300 0.079 0.000 0.512 511 M CB -2.292 30.364 32.600 0.093 0.000 1.191 511 M HN 0.129 nan 8.290 nan 0.000 0.894 512 L N 2.029 123.255 121.223 0.005 0.000 2.319 512 L HA 0.320 4.660 4.340 0.001 0.000 0.280 512 L C -1.530 175.283 176.870 -0.096 0.000 1.099 512 L CA -1.694 53.129 54.840 -0.029 0.000 0.828 512 L CB 0.559 42.636 42.059 0.030 0.000 1.150 512 L HN 0.076 nan 8.230 nan 0.000 0.442 513 P HA 0.025 nan 4.420 nan 0.000 0.268 513 P C 0.106 177.315 177.300 -0.152 0.000 1.205 513 P CA -0.109 62.827 63.100 -0.273 0.000 0.771 513 P CB 0.876 32.303 31.700 -0.455 0.000 0.858 514 S N 1.489 117.080 115.700 -0.182 0.000 2.505 514 S HA 0.169 4.639 4.470 0.001 0.000 0.216 514 S C 0.721 175.393 174.600 0.120 0.000 1.018 514 S CA -0.176 58.015 58.200 -0.015 0.000 0.911 514 S CB -0.772 62.397 63.200 -0.052 0.000 0.818 514 S HN 0.360 nan 8.310 nan 0.000 0.497 515 F N 0.271 120.187 119.950 -0.057 0.000 2.884 515 F HA -0.171 4.357 4.527 0.001 0.000 0.294 515 F C -0.165 175.608 175.800 -0.044 0.000 0.723 515 F CA 0.226 58.198 58.000 -0.046 0.000 1.294 515 F CB -1.745 37.234 39.000 -0.034 0.000 1.551 515 F HN 0.119 nan 8.300 nan 0.000 0.363 516 V N 1.569 121.492 119.914 0.015 0.000 2.334 516 V HA 0.220 4.340 4.120 0.001 0.000 0.267 516 V C 1.156 177.220 176.094 -0.050 0.000 1.040 516 V CA -0.172 62.125 62.300 -0.006 0.000 0.866 516 V CB 1.391 33.199 31.823 -0.024 0.000 1.019 516 V HN 0.193 nan 8.190 nan 0.000 0.468 517 R N 4.047 124.528 120.500 -0.031 0.000 2.280 517 R HA 0.244 4.585 4.340 0.001 0.000 0.195 517 R C 0.525 176.798 176.300 -0.044 0.000 0.935 517 R CA 0.084 56.153 56.100 -0.051 0.000 1.033 517 R CB 0.311 30.595 30.300 -0.028 0.000 0.964 517 R HN 0.745 nan 8.270 nan 0.000 0.489 518 R N -0.230 120.251 120.500 -0.032 0.000 2.710 518 R HA 0.300 4.641 4.340 0.001 0.000 0.270 518 R C -0.779 175.507 176.300 -0.022 0.000 1.021 518 R CA -0.833 55.251 56.100 -0.027 0.000 0.889 518 R CB 0.738 31.028 30.300 -0.017 0.000 1.243 518 R HN -0.135 nan 8.270 nan 0.000 0.464 519 T N -1.311 113.231 114.554 -0.020 0.000 2.788 519 T HA 0.363 4.713 4.350 0.001 0.000 0.287 519 T C -2.190 172.511 174.700 0.001 0.000 1.007 519 T CA -1.679 60.415 62.100 -0.011 0.000 1.005 519 T CB 0.460 69.320 68.868 -0.013 0.000 1.012 519 T HN 0.372 nan 8.240 nan 0.000 0.530 520 P HA 0.100 nan 4.420 nan 0.000 0.262 520 P C 0.138 177.446 177.300 0.013 0.000 1.182 520 P CA 0.153 63.277 63.100 0.039 0.000 0.761 520 P CB 0.265 32.024 31.700 0.098 0.000 0.795 521 D N 1.938 122.346 120.400 0.013 0.000 2.349 521 D HA 0.105 4.746 4.640 0.001 0.000 0.214 521 D C 1.340 177.636 176.300 -0.007 0.000 1.063 521 D CA 0.438 54.437 54.000 -0.002 0.000 0.847 521 D CB -0.353 40.449 40.800 0.003 0.000 0.933 521 D HN 0.517 nan 8.370 nan 0.000 0.513 522 G N -0.040 108.762 108.800 0.004 0.000 2.176 522 G HA2 -0.318 3.642 3.960 0.001 0.000 0.232 522 G HA3 -0.318 3.642 3.960 0.001 0.000 0.232 522 G C 1.139 176.058 174.900 0.032 0.000 0.986 522 G CA 0.727 45.823 45.100 -0.006 0.000 0.643 522 G HN 0.629 nan 8.290 nan 0.000 0.522 523 T N -1.207 113.373 114.554 0.042 0.000 3.044 523 T HA 0.407 4.758 4.350 0.001 0.000 0.250 523 T C 0.698 175.444 174.700 0.078 0.000 1.081 523 T CA 0.865 62.996 62.100 0.052 0.000 1.040 523 T CB 0.386 69.277 68.868 0.039 0.000 0.962 523 T HN 0.338 nan 8.240 nan 0.000 0.506 524 E N 3.200 123.456 120.200 0.094 0.000 2.442 524 E HA 0.420 4.770 4.350 0.001 0.000 0.262 524 E C -0.063 176.633 176.600 0.159 0.000 1.004 524 E CA 0.298 56.769 56.400 0.117 0.000 0.928 524 E CB 0.159 29.913 29.700 0.089 0.000 0.937 524 E HN 0.888 nan 8.360 nan 0.000 0.446 525 N N -0.052 118.775 118.700 0.212 0.000 2.815 525 N HA 0.684 5.425 4.740 0.001 0.000 0.253 525 N C -0.596 175.059 175.510 0.242 0.000 1.202 525 N CA -0.559 52.615 53.050 0.207 0.000 0.925 525 N CB 1.575 40.135 38.487 0.121 0.000 1.622 525 N HN 0.649 nan 8.380 nan 0.000 0.497 526 G N 0.150 109.036 108.800 0.143 0.000 2.359 526 G HA2 0.273 4.233 3.960 0.001 0.000 0.293 526 G HA3 0.273 4.233 3.960 0.001 0.000 0.293 526 G C -2.399 172.246 174.900 -0.426 0.000 1.300 526 G CA -0.870 44.105 45.100 -0.210 0.000 0.888 526 G HN 0.657 nan 8.290 nan 0.000 0.541 527 D N 0.017 119.986 120.400 -0.719 0.000 2.391 527 D HA 0.740 5.380 4.640 0.001 0.000 0.245 527 D C -0.792 175.010 176.300 -0.830 0.000 1.069 527 D CA 0.159 53.866 54.000 -0.489 0.000 0.831 527 D CB 1.425 42.086 40.800 -0.232 0.000 1.204 527 D HN 0.240 nan 8.370 nan 0.000 0.503 528 F N 0.445 120.421 119.950 0.044 0.000 2.588 528 F HA 0.494 5.022 4.527 0.001 0.000 0.314 528 F C 0.061 175.895 175.800 0.057 0.000 1.069 528 F CA -1.020 57.007 58.000 0.045 0.000 0.931 528 F CB 1.485 40.507 39.000 0.036 0.000 1.260 528 F HN -0.054 nan 8.300 nan 0.000 0.465 529 L N 1.811 123.174 121.223 0.234 0.000 2.344 529 L HA 0.911 5.252 4.340 0.001 0.000 0.272 529 L C -0.365 176.581 176.870 0.127 0.000 1.035 529 L CA -0.799 54.130 54.840 0.149 0.000 0.807 529 L CB 1.773 43.893 42.059 0.101 0.000 1.237 529 L HN 0.831 nan 8.230 nan 0.000 0.442 530 A N 2.890 125.736 122.820 0.043 0.000 2.594 530 A HA 0.820 5.140 4.320 0.001 0.000 0.295 530 A C -1.464 176.114 177.584 -0.009 0.000 1.071 530 A CA -0.524 51.541 52.037 0.047 0.000 0.685 530 A CB 1.593 20.628 19.000 0.058 0.000 1.285 530 A HN 0.566 nan 8.150 nan 0.000 0.405 531 L N 0.708 121.986 121.223 0.093 0.000 2.342 531 L HA 0.654 4.994 4.340 0.001 0.000 0.271 531 L C -1.068 175.970 176.870 0.281 0.000 1.008 531 L CA -0.771 54.157 54.840 0.147 0.000 0.818 531 L CB 2.172 44.360 42.059 0.216 0.000 1.296 531 L HN 0.712 nan 8.230 nan 0.000 0.427 532 D N 2.725 123.298 120.400 0.288 0.000 2.389 532 D HA 0.450 5.090 4.640 0.001 0.000 0.256 532 D C -1.674 174.902 176.300 0.461 0.000 1.239 532 D CA -0.194 53.970 54.000 0.272 0.000 0.925 532 D CB 1.455 42.322 40.800 0.112 0.000 1.145 532 D HN 0.233 nan 8.370 nan 0.000 0.542 533 L N 3.016 124.530 121.223 0.484 0.000 2.356 533 L HA 0.814 5.155 4.340 0.001 0.000 0.277 533 L C 0.907 177.868 176.870 0.152 0.000 0.996 533 L CA 0.401 55.509 54.840 0.446 0.000 0.822 533 L CB 1.810 44.184 42.059 0.525 0.000 1.256 533 L HN 0.540 nan 8.230 nan 0.000 0.413 534 G N 2.445 111.288 108.800 0.071 0.000 2.545 534 G HA2 -0.094 3.866 3.960 0.001 0.000 0.195 534 G HA3 -0.094 3.866 3.960 0.001 0.000 0.195 534 G C 0.373 175.211 174.900 -0.103 0.000 1.009 534 G CA -0.048 44.897 45.100 -0.260 0.000 0.703 534 G HN 1.117 nan 8.290 nan 0.000 0.479 535 G N 0.057 108.859 108.800 0.003 0.000 2.582 535 G HA2 0.651 4.612 3.960 0.001 0.000 0.232 535 G HA3 0.651 4.612 3.960 0.001 0.000 0.232 535 G C 1.510 176.468 174.900 0.097 0.000 1.458 535 G CA 1.219 46.331 45.100 0.020 0.000 1.062 535 G HN 1.178 nan 8.290 nan 0.000 0.566 536 A N -0.654 122.206 122.820 0.067 0.000 1.873 536 A HA 0.092 4.413 4.320 0.001 0.000 0.215 536 A C 1.146 178.796 177.584 0.110 0.000 1.186 536 A CA 0.885 52.966 52.037 0.074 0.000 0.616 536 A CB -0.352 18.669 19.000 0.035 0.000 0.823 536 A HN 0.447 nan 8.150 nan 0.000 0.442 537 N N -0.588 118.177 118.700 0.109 0.000 2.408 537 N HA 0.392 5.133 4.740 0.001 0.000 0.280 537 N C -1.344 174.303 175.510 0.228 0.000 1.002 537 N CA -0.395 52.736 53.050 0.136 0.000 0.907 537 N CB 1.398 39.920 38.487 0.059 0.000 1.161 537 N HN 0.236 nan 8.380 nan 0.000 0.488 538 F N 2.882 122.913 119.950 0.136 0.000 2.427 538 F HA 0.363 4.890 4.527 0.001 0.000 0.352 538 F C 0.111 176.002 175.800 0.152 0.000 1.100 538 F CA -0.392 57.709 58.000 0.168 0.000 1.191 538 F CB 0.394 39.525 39.000 0.218 0.000 1.128 538 F HN 0.317 nan 8.300 nan 0.000 0.533 539 R N 3.531 123.785 120.500 -0.410 0.000 2.837 539 R HA 0.766 5.107 4.340 0.001 0.000 0.271 539 R C -1.664 174.243 176.300 -0.655 0.000 0.993 539 R CA -1.175 54.641 56.100 -0.474 0.000 0.931 539 R CB 2.476 32.653 30.300 -0.205 0.000 1.206 539 R HN 0.470 nan 8.270 nan 0.000 0.474 540 V N 3.265 122.844 119.914 -0.558 0.000 2.540 540 V HA 0.526 4.646 4.120 0.001 0.000 0.302 540 V C -0.872 174.680 176.094 -0.904 0.000 1.035 540 V CA -0.762 61.123 62.300 -0.692 0.000 0.873 540 V CB 1.595 32.954 31.823 -0.773 0.000 0.992 540 V HN 0.463 nan 8.190 nan 0.000 0.428 541 L N 4.503 125.339 121.223 -0.645 0.000 2.333 541 L HA 0.638 4.979 4.340 0.001 0.000 0.263 541 L C -0.663 176.160 176.870 -0.078 0.000 1.014 541 L CA -0.482 54.138 54.840 -0.367 0.000 0.820 541 L CB 2.094 44.085 42.059 -0.112 0.000 1.352 541 L HN 0.462 nan 8.230 nan 0.000 0.421 542 L N 2.250 123.631 121.223 0.263 0.000 2.343 542 L HA 0.709 5.049 4.340 0.001 0.000 0.278 542 L C -1.544 175.472 176.870 0.243 0.000 0.996 542 L CA -0.566 54.477 54.840 0.339 0.000 0.831 542 L CB 1.608 43.930 42.059 0.438 0.000 1.232 542 L HN 0.376 nan 8.230 nan 0.000 0.413 543 V N 5.121 125.156 119.914 0.201 0.000 2.487 543 V HA 0.422 4.543 4.120 0.001 0.000 0.298 543 V C -0.338 175.872 176.094 0.193 0.000 1.028 543 V CA -0.790 61.611 62.300 0.167 0.000 0.860 543 V CB 1.995 33.900 31.823 0.136 0.000 0.991 543 V HN 0.659 nan 8.190 nan 0.000 0.427 544 K N 5.671 126.149 120.400 0.131 0.000 2.339 544 K HA 0.687 5.008 4.320 0.001 0.000 0.264 544 K C -1.147 175.516 176.600 0.104 0.000 0.986 544 K CA -0.392 55.959 56.287 0.107 0.000 0.866 544 K CB 2.029 34.572 32.500 0.071 0.000 1.103 544 K HN 0.530 nan 8.250 nan 0.000 0.441 545 I N 3.321 123.985 120.570 0.157 0.000 2.433 545 I HA 0.401 4.571 4.170 0.001 0.000 0.292 545 I C -0.212 175.982 176.117 0.128 0.000 1.001 545 I CA -0.974 60.407 61.300 0.136 0.000 1.119 545 I CB 1.356 39.459 38.000 0.172 0.000 1.289 545 I HN 0.300 nan 8.210 nan 0.000 0.438 546 R N 4.077 124.643 120.500 0.110 0.000 2.502 546 R HA 0.467 4.807 4.340 0.001 0.000 0.300 546 R C -0.606 175.757 176.300 0.106 0.000 0.984 546 R CA -0.566 55.590 56.100 0.094 0.000 0.882 546 R CB 2.068 32.408 30.300 0.067 0.000 1.180 546 R HN 0.814 nan 8.270 nan 0.000 0.444 547 S N 0.364 116.121 115.700 0.095 0.000 2.718 547 S HA 0.906 5.377 4.470 0.001 0.000 0.292 547 S C 0.700 175.332 174.600 0.053 0.000 1.125 547 S CA 0.171 58.421 58.200 0.082 0.000 1.013 547 S CB 1.941 65.187 63.200 0.076 0.000 1.192 547 S HN 0.924 nan 8.310 nan 0.000 0.535 548 G N 0.682 109.504 108.800 0.037 0.000 2.443 548 G HA2 -0.157 3.803 3.960 0.001 0.000 0.209 548 G HA3 -0.157 3.803 3.960 0.001 0.000 0.209 548 G C 0.330 175.241 174.900 0.018 0.000 1.176 548 G CA 0.067 45.182 45.100 0.025 0.000 1.074 548 G HN 0.742 nan 8.290 nan 0.000 0.577 549 K N 0.460 120.870 120.400 0.016 0.000 1.988 549 K HA -0.124 4.196 4.320 0.001 0.000 0.221 549 K C 0.591 177.199 176.600 0.013 0.000 1.053 549 K CA 2.018 58.313 56.287 0.012 0.000 0.959 549 K CB -0.260 32.247 32.500 0.011 0.000 0.728 549 K HN 0.429 nan 8.250 nan 0.000 0.447 550 K N 1.623 122.035 120.400 0.021 0.000 2.521 550 K HA 0.185 4.505 4.320 0.001 0.000 0.248 550 K C -1.172 175.454 176.600 0.043 0.000 0.978 550 K CA -0.478 55.824 56.287 0.025 0.000 0.947 550 K CB 1.629 34.144 32.500 0.024 0.000 1.165 550 K HN 0.162 nan 8.250 nan 0.000 0.445 551 R N 0.855 121.386 120.500 0.051 0.000 2.679 551 R HA 0.193 4.534 4.340 0.001 0.000 0.268 551 R C -0.149 176.224 176.300 0.122 0.000 1.044 551 R CA -0.121 56.036 56.100 0.096 0.000 1.105 551 R CB -0.094 30.270 30.300 0.107 0.000 0.989 551 R HN 0.578 nan 8.270 nan 0.000 0.447 552 T N -1.917 112.715 114.554 0.131 0.000 2.883 552 T HA 0.564 4.914 4.350 0.001 0.000 0.301 552 T C -0.755 173.997 174.700 0.085 0.000 1.158 552 T CA -0.966 61.196 62.100 0.104 0.000 1.007 552 T CB 1.899 70.804 68.868 0.063 0.000 1.186 552 T HN 0.338 nan 8.240 nan 0.000 0.499 553 V N 1.262 121.194 119.914 0.031 0.000 2.638 553 V HA 0.659 4.780 4.120 0.001 0.000 0.306 553 V C -0.610 175.467 176.094 -0.028 0.000 1.052 553 V CA -0.697 61.582 62.300 -0.036 0.000 0.885 553 V CB 1.648 33.367 31.823 -0.173 0.000 0.999 553 V HN 1.083 nan 8.190 nan 0.000 0.424 554 E N 5.097 125.288 120.200 -0.016 0.000 2.218 554 E HA 0.702 5.053 4.350 0.001 0.000 0.263 554 E C -1.503 175.052 176.600 -0.076 0.000 0.879 554 E CA -0.636 55.737 56.400 -0.045 0.000 0.762 554 E CB 1.687 31.393 29.700 0.010 0.000 1.166 554 E HN 0.690 nan 8.360 nan 0.000 0.415 555 M N 3.352 122.835 119.600 -0.194 0.000 2.464 555 M HA 0.452 4.933 4.480 0.001 0.000 0.308 555 M C -0.928 175.145 176.300 -0.377 0.000 1.127 555 M CA -0.760 54.445 55.300 -0.158 0.000 0.913 555 M CB 2.324 34.873 32.600 -0.086 0.000 1.689 555 M HN 0.443 nan 8.290 nan 0.000 0.445 556 H N 1.411 120.555 119.070 0.124 0.000 2.851 556 H HA 0.618 5.174 4.556 0.001 0.000 0.372 556 H C -1.418 174.068 175.328 0.264 0.000 1.158 556 H CA -0.859 55.304 56.048 0.192 0.000 1.159 556 H CB 2.219 32.110 29.762 0.214 0.000 1.757 556 H HN 0.831 nan 8.280 nan 0.000 0.546 557 N N 0.434 119.365 118.700 0.385 0.000 2.825 557 N HA 0.387 5.127 4.740 0.001 0.000 0.253 557 N C -1.699 173.961 175.510 0.249 0.000 1.426 557 N CA -0.979 52.191 53.050 0.199 0.000 0.851 557 N CB 2.908 41.397 38.487 0.003 0.000 1.470 557 N HN 0.434 nan 8.380 nan 0.000 0.517 558 K N 0.769 121.182 120.400 0.021 0.000 2.535 558 K HA 0.487 4.808 4.320 0.001 0.000 0.251 558 K C -1.480 174.888 176.600 -0.387 0.000 0.942 558 K CA -0.677 55.498 56.287 -0.187 0.000 0.798 558 K CB 1.468 33.813 32.500 -0.259 0.000 1.267 558 K HN 0.616 nan 8.250 nan 0.000 0.434 559 I N 4.181 124.503 120.570 -0.413 0.000 2.472 559 I HA 0.244 4.415 4.170 0.001 0.000 0.290 559 I C -0.742 175.044 176.117 -0.551 0.000 1.016 559 I CA -0.614 60.488 61.300 -0.331 0.000 1.348 559 I CB 0.578 38.481 38.000 -0.162 0.000 1.417 559 I HN 0.533 nan 8.210 nan 0.000 0.521 560 Y N 3.488 123.741 120.300 -0.079 0.000 2.446 560 Y HA 0.605 5.155 4.550 0.001 0.000 0.345 560 Y C 0.400 176.421 175.900 0.203 0.000 0.984 560 Y CA -0.884 57.249 58.100 0.056 0.000 1.058 560 Y CB 1.778 40.279 38.460 0.069 0.000 1.220 560 Y HN 0.580 nan 8.280 nan 0.000 0.455 561 A N 3.480 126.485 122.820 0.308 0.000 2.340 561 A HA 0.687 5.007 4.320 0.001 0.000 0.268 561 A C -0.611 177.173 177.584 0.333 0.000 1.100 561 A CA -0.375 51.810 52.037 0.247 0.000 0.803 561 A CB 0.027 19.108 19.000 0.136 0.000 1.043 561 A HN 0.753 nan 8.150 nan 0.000 0.488 562 I N 3.887 124.572 120.570 0.192 0.000 2.437 562 I HA 0.257 4.428 4.170 0.001 0.000 0.279 562 I C -2.080 173.975 176.117 -0.103 0.000 1.028 562 I CA -1.862 59.463 61.300 0.042 0.000 1.142 562 I CB 1.704 39.728 38.000 0.041 0.000 1.266 562 I HN 0.515 nan 8.210 nan 0.000 0.461 563 P HA 0.035 nan 4.420 nan 0.000 0.267 563 P C 0.927 178.103 177.300 -0.207 0.000 1.200 563 P CA -0.089 62.922 63.100 -0.148 0.000 0.772 563 P CB 1.570 33.187 31.700 -0.138 0.000 0.855 564 I N 1.688 122.147 120.570 -0.185 0.000 2.423 564 I HA -0.292 3.879 4.170 0.001 0.000 0.254 564 I C 1.688 177.668 176.117 -0.228 0.000 1.151 564 I CA 1.747 62.909 61.300 -0.229 0.000 1.421 564 I CB -0.208 37.691 38.000 -0.168 0.000 1.079 564 I HN 0.306 nan 8.210 nan 0.000 0.431 565 E N 0.378 120.471 120.200 -0.178 0.000 2.150 565 E HA -0.133 4.217 4.350 0.001 0.000 0.193 565 E C 2.108 178.598 176.600 -0.183 0.000 0.985 565 E CA 1.347 57.654 56.400 -0.155 0.000 0.814 565 E CB -0.247 29.385 29.700 -0.114 0.000 0.752 565 E HN 0.547 nan 8.360 nan 0.000 0.466 566 I N -0.009 120.424 120.570 -0.229 0.000 2.703 566 I HA -0.082 4.088 4.170 0.001 0.000 0.259 566 I C 1.926 177.871 176.117 -0.287 0.000 1.151 566 I CA 0.600 61.758 61.300 -0.237 0.000 1.470 566 I CB -0.132 37.684 38.000 -0.307 0.000 1.112 566 I HN 0.139 nan 8.210 nan 0.000 0.437 567 M N -0.088 119.262 119.600 -0.417 0.000 2.296 567 M HA -0.182 4.298 4.480 0.001 0.000 0.265 567 M C 1.134 177.083 176.300 -0.585 0.000 1.064 567 M CA 1.692 56.571 55.300 -0.701 0.000 1.109 567 M CB -0.160 31.834 32.600 -1.010 0.000 1.396 567 M HN 0.235 nan 8.290 nan 0.000 0.430 568 Q N -0.479 119.091 119.800 -0.383 0.000 2.157 568 Q HA 0.257 4.597 4.340 0.001 0.000 0.229 568 Q C 0.805 176.702 176.000 -0.172 0.000 0.827 568 Q CA -0.488 55.143 55.803 -0.286 0.000 1.055 568 Q CB 0.988 29.587 28.738 -0.232 0.000 1.157 568 Q HN 0.450 nan 8.270 nan 0.000 0.482 569 G N 1.039 109.753 108.800 -0.144 0.000 3.329 569 G HA2 0.221 4.181 3.960 0.001 0.000 0.180 569 G HA3 0.221 4.181 3.960 0.001 0.000 0.180 569 G C 0.117 175.003 174.900 -0.023 0.000 1.640 569 G CA 0.130 45.185 45.100 -0.075 0.000 1.018 569 G HN 0.235 nan 8.290 nan 0.000 0.581 570 T N -2.700 111.858 114.554 0.007 0.000 2.929 570 T HA 0.514 4.864 4.350 0.001 0.000 0.284 570 T C 1.530 176.291 174.700 0.101 0.000 1.014 570 T CA 0.448 62.577 62.100 0.048 0.000 1.051 570 T CB 1.494 70.387 68.868 0.041 0.000 1.028 570 T HN 0.644 nan 8.240 nan 0.000 0.485 571 G N 0.341 109.226 108.800 0.141 0.000 2.442 571 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 571 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 571 G C 1.180 176.248 174.900 0.281 0.000 1.141 571 G CA 1.079 46.333 45.100 0.257 0.000 0.763 571 G HN 0.935 nan 8.290 nan 0.000 0.554 572 E N 0.469 120.755 120.200 0.144 0.000 2.085 572 E HA -0.155 4.196 4.350 0.001 0.000 0.194 572 E C 2.303 178.991 176.600 0.146 0.000 0.994 572 E CA 1.469 57.947 56.400 0.130 0.000 0.801 572 E CB -0.156 29.587 29.700 0.071 0.000 0.743 572 E HN 0.623 nan 8.360 nan 0.000 0.453 573 E N -0.050 120.214 120.200 0.106 0.000 2.072 573 E HA -0.187 4.163 4.350 0.001 0.000 0.191 573 E C 2.093 178.743 176.600 0.084 0.000 0.985 573 E CA 0.930 57.375 56.400 0.076 0.000 0.801 573 E CB -0.106 29.608 29.700 0.025 0.000 0.750 573 E HN 0.232 nan 8.360 nan 0.000 0.452 574 L N 0.086 121.361 121.223 0.086 0.000 2.017 574 L HA -0.126 4.214 4.340 0.001 0.000 0.208 574 L C 1.871 178.697 176.870 -0.072 0.000 1.073 574 L CA 1.706 56.542 54.840 -0.006 0.000 0.745 574 L CB -0.451 41.601 42.059 -0.012 0.000 0.894 574 L HN 0.025 nan 8.230 nan 0.000 0.432 575 F N -0.085 119.912 119.950 0.080 0.000 2.325 575 F HA -0.142 4.386 4.527 0.001 0.000 0.299 575 F C 2.236 178.063 175.800 0.044 0.000 1.090 575 F CA 1.205 59.236 58.000 0.051 0.000 1.392 575 F CB -0.475 38.549 39.000 0.039 0.000 1.053 575 F HN 0.169 nan 8.300 nan 0.000 0.521 576 D N -1.150 119.366 120.400 0.193 0.000 2.117 576 D HA -0.205 4.435 4.640 0.001 0.000 0.197 576 D C 2.013 178.383 176.300 0.117 0.000 0.987 576 D CA 1.393 55.472 54.000 0.132 0.000 0.829 576 D CB -0.472 40.394 40.800 0.111 0.000 0.961 576 D HN 0.295 nan 8.370 nan 0.000 0.460 577 H N 0.510 119.586 119.070 0.009 0.000 2.321 577 H HA -0.010 4.547 4.556 0.001 0.000 0.300 577 H C 2.150 177.469 175.328 -0.016 0.000 1.087 577 H CA 1.305 57.347 56.048 -0.009 0.000 1.319 577 H CB -0.402 29.333 29.762 -0.045 0.000 1.379 577 H HN 0.069 nan 8.280 nan 0.000 0.501 578 I N -0.684 119.817 120.570 -0.116 0.000 2.163 578 I HA -0.278 3.892 4.170 0.001 0.000 0.243 578 I C 2.351 178.449 176.117 -0.031 0.000 1.085 578 I CA 1.218 62.429 61.300 -0.148 0.000 1.347 578 I CB -0.262 37.579 38.000 -0.265 0.000 1.044 578 I HN 0.156 nan 8.210 nan 0.000 0.408 579 V N 0.281 120.222 119.914 0.045 0.000 2.407 579 V HA -0.276 3.845 4.120 0.001 0.000 0.248 579 V C 2.488 178.656 176.094 0.123 0.000 1.055 579 V CA 2.197 64.592 62.300 0.158 0.000 1.049 579 V CB -0.573 31.346 31.823 0.161 0.000 0.662 579 V HN 0.413 nan 8.190 nan 0.000 0.455 580 S N -0.695 115.015 115.700 0.016 0.000 2.368 580 S HA -0.231 4.240 4.470 0.001 0.000 0.225 580 S C 2.019 176.541 174.600 -0.130 0.000 1.030 580 S CA 1.795 59.987 58.200 -0.013 0.000 0.999 580 S CB -0.597 62.593 63.200 -0.016 0.000 0.844 580 S HN 0.690 nan 8.310 nan 0.000 0.459 581 C N 1.615 120.716 119.300 -0.332 0.000 2.440 581 C HA 0.078 4.538 4.460 0.001 0.000 0.278 581 C C 2.447 177.109 174.990 -0.548 0.000 1.295 581 C CA -0.006 58.570 59.018 -0.737 0.000 1.738 581 C CB -1.461 25.555 27.740 -1.207 0.000 1.987 581 C HN 0.543 nan 8.230 nan 0.000 0.492 582 I N 0.992 121.399 120.570 -0.271 0.000 2.179 582 I HA -0.208 3.963 4.170 0.001 0.000 0.242 582 I C 2.774 178.754 176.117 -0.228 0.000 1.088 582 I CA 1.714 62.879 61.300 -0.225 0.000 1.357 582 I CB -0.732 37.135 38.000 -0.221 0.000 1.051 582 I HN 0.305 nan 8.210 nan 0.000 0.409 583 S N 0.759 116.382 115.700 -0.129 0.000 2.359 583 S HA -0.328 4.142 4.470 0.001 0.000 0.223 583 S C 1.779 176.370 174.600 -0.015 0.000 1.039 583 S CA 2.446 60.620 58.200 -0.042 0.000 1.042 583 S CB -0.428 62.873 63.200 0.168 0.000 0.915 583 S HN 0.540 nan 8.310 nan 0.000 0.439 584 D N -0.607 119.802 120.400 0.015 0.000 2.106 584 D HA -0.180 4.461 4.640 0.001 0.000 0.191 584 D C 1.765 178.161 176.300 0.160 0.000 0.997 584 D CA 1.648 55.705 54.000 0.095 0.000 0.834 584 D CB -0.421 40.475 40.800 0.159 0.000 0.956 584 D HN 0.483 nan 8.370 nan 0.000 0.448 585 F N 0.633 120.608 119.950 0.041 0.000 2.171 585 F HA -0.074 4.453 4.527 0.001 0.000 0.300 585 F C 1.868 177.714 175.800 0.077 0.000 1.090 585 F CA 1.122 59.207 58.000 0.141 0.000 1.293 585 F CB -0.204 38.845 39.000 0.083 0.000 1.013 585 F HN 0.031 nan 8.300 nan 0.000 0.486 586 L N -0.009 121.193 121.223 -0.035 0.000 2.079 586 L HA -0.245 4.096 4.340 0.001 0.000 0.210 586 L C 2.136 178.912 176.870 -0.157 0.000 1.081 586 L CA 2.015 56.764 54.840 -0.152 0.000 0.752 586 L CB -0.833 41.120 42.059 -0.176 0.000 0.896 586 L HN 0.194 nan 8.230 nan 0.000 0.433 587 D N -1.019 119.338 120.400 -0.072 0.000 2.123 587 D HA -0.268 4.373 4.640 0.001 0.000 0.200 587 D C 2.114 178.381 176.300 -0.057 0.000 0.976 587 D CA 0.813 54.786 54.000 -0.044 0.000 0.831 587 D CB -0.047 40.761 40.800 0.012 0.000 0.974 587 D HN 0.284 nan 8.370 nan 0.000 0.469 588 Y N 0.372 120.556 120.300 -0.193 0.000 2.165 588 Y HA -0.129 4.421 4.550 0.001 0.000 0.286 588 Y C 1.667 177.368 175.900 -0.332 0.000 1.155 588 Y CA 1.451 59.418 58.100 -0.222 0.000 1.164 588 Y CB -0.104 38.244 38.460 -0.187 0.000 0.978 588 Y HN 0.026 nan 8.280 nan 0.000 0.513 589 M N -0.309 118.940 119.600 -0.586 0.000 2.556 589 M HA 0.251 4.731 4.480 0.001 0.000 0.245 589 M C 1.499 177.556 176.300 -0.405 0.000 1.128 589 M CA 0.968 55.874 55.300 -0.657 0.000 1.069 589 M CB -1.120 31.027 32.600 -0.755 0.000 1.469 589 M HN 0.484 nan 8.290 nan 0.000 0.494 590 G N 2.413 111.042 108.800 -0.284 0.000 2.246 590 G HA2 -0.242 3.718 3.960 0.001 0.000 0.273 590 G HA3 -0.242 3.718 3.960 0.001 0.000 0.273 590 G C -0.039 174.765 174.900 -0.159 0.000 1.055 590 G CA -0.124 44.862 45.100 -0.190 0.000 0.851 590 G HN 0.485 nan 8.290 nan 0.000 0.500 591 I N 0.772 121.244 120.570 -0.162 0.000 2.352 591 I HA 0.440 4.610 4.170 0.001 0.000 0.290 591 I C 0.755 176.826 176.117 -0.075 0.000 1.036 591 I CA -0.102 61.128 61.300 -0.117 0.000 1.336 591 I CB 0.881 38.815 38.000 -0.110 0.000 1.407 591 I HN 0.412 nan 8.210 nan 0.000 0.497 592 K N 4.676 125.043 120.400 -0.055 0.000 2.439 592 K HA 0.953 5.273 4.320 0.001 0.000 0.260 592 K C -0.227 176.360 176.600 -0.022 0.000 1.032 592 K CA -0.826 55.443 56.287 -0.030 0.000 0.882 592 K CB 2.200 34.682 32.500 -0.030 0.000 1.420 592 K HN 0.703 nan 8.250 nan 0.000 0.455 593 G N 0.388 109.183 108.800 -0.008 0.000 2.566 593 G HA2 -0.042 3.918 3.960 0.001 0.000 0.599 593 G HA3 -0.042 3.918 3.960 0.001 0.000 0.599 593 G C -2.627 172.275 174.900 0.004 0.000 1.292 593 G CA -0.752 44.343 45.100 -0.007 0.000 0.922 593 G HN 0.646 nan 8.290 nan 0.000 0.514 594 P HA 0.373 nan 4.420 nan 0.000 0.267 594 P C 0.584 177.895 177.300 0.019 0.000 1.201 594 P CA -0.143 62.963 63.100 0.010 0.000 0.775 594 P CB 0.185 31.887 31.700 0.002 0.000 0.854 595 R N 2.105 122.627 120.500 0.035 0.000 2.585 595 R HA 0.230 4.571 4.340 0.001 0.000 0.275 595 R C -0.223 176.100 176.300 0.039 0.000 1.018 595 R CA 0.056 56.190 56.100 0.056 0.000 1.072 595 R CB -0.208 30.136 30.300 0.073 0.000 0.953 595 R HN 0.390 nan 8.270 nan 0.000 0.419 596 M N 3.678 123.305 119.600 0.045 0.000 2.409 596 M HA 0.391 4.872 4.480 0.001 0.000 0.329 596 M C -2.059 174.283 176.300 0.070 0.000 1.180 596 M CA -2.466 52.850 55.300 0.027 0.000 1.053 596 M CB 1.707 34.311 32.600 0.007 0.000 1.586 596 M HN 0.488 nan 8.290 nan 0.000 0.461 597 P HA 0.240 nan 4.420 nan 0.000 0.271 597 P C -1.428 175.999 177.300 0.212 0.000 1.216 597 P CA -0.146 63.057 63.100 0.171 0.000 0.776 597 P CB 0.742 32.605 31.700 0.271 0.000 0.881 598 L N 1.842 123.174 121.223 0.181 0.000 2.401 598 L HA 0.803 5.143 4.340 0.001 0.000 0.266 598 L C -0.412 176.551 176.870 0.155 0.000 0.991 598 L CA -0.586 54.351 54.840 0.163 0.000 0.818 598 L CB 2.117 44.246 42.059 0.116 0.000 1.321 598 L HN 0.484 nan 8.230 nan 0.000 0.413 599 G N 3.272 112.160 108.800 0.147 0.000 2.417 599 G HA2 0.374 4.334 3.960 0.001 0.000 0.320 599 G HA3 0.374 4.334 3.960 0.001 0.000 0.320 599 G C -1.602 173.443 174.900 0.240 0.000 1.204 599 G CA -0.406 44.783 45.100 0.149 0.000 0.923 599 G HN 0.582 nan 8.290 nan 0.000 0.466 600 F N 3.356 123.358 119.950 0.087 0.000 2.334 600 F HA 0.337 4.864 4.527 0.001 0.000 0.367 600 F C 0.144 176.034 175.800 0.149 0.000 1.115 600 F CA -0.825 57.251 58.000 0.127 0.000 1.116 600 F CB 1.106 40.180 39.000 0.124 0.000 1.230 600 F HN 0.265 nan 8.300 nan 0.000 0.484 601 T N 7.461 122.258 114.554 0.405 0.000 2.723 601 T HA 0.163 4.514 4.350 0.001 0.000 0.297 601 T C -0.899 173.939 174.700 0.231 0.000 0.925 601 T CA 0.132 62.353 62.100 0.201 0.000 1.030 601 T CB 0.153 69.106 68.868 0.142 0.000 0.905 601 T HN 0.494 nan 8.240 nan 0.000 0.502 602 F N 3.822 123.651 119.950 -0.201 0.000 2.500 602 F HA 0.372 4.900 4.527 0.001 0.000 0.349 602 F C 0.586 176.288 175.800 -0.165 0.000 1.127 602 F CA -0.907 56.957 58.000 -0.227 0.000 0.998 602 F CB 1.126 39.738 39.000 -0.646 0.000 1.237 602 F HN 0.481 nan 8.300 nan 0.000 0.439 603 S N 5.568 120.919 115.700 -0.581 0.000 3.812 603 S HA 0.446 4.917 4.470 0.001 0.000 0.195 603 S C -0.905 172.940 174.600 -1.259 0.000 1.460 603 S CA -0.278 57.476 58.200 -0.743 0.000 1.052 603 S CB -1.068 61.797 63.200 -0.559 0.000 1.385 603 S HN 0.449 nan 8.310 nan 0.000 0.490 604 F N 0.760 120.421 119.950 -0.481 0.000 2.626 604 F HA 0.564 5.092 4.527 0.001 0.000 0.311 604 F C -2.556 173.136 175.800 -0.179 0.000 1.088 604 F CA -2.630 55.150 58.000 -0.366 0.000 0.949 604 F CB 1.571 40.207 39.000 -0.607 0.000 1.322 604 F HN 0.019 nan 8.300 nan 0.000 0.461 605 P HA 0.119 nan 4.420 nan 0.000 0.266 605 P C -0.941 176.413 177.300 0.090 0.000 1.215 605 P CA 0.114 63.260 63.100 0.076 0.000 0.763 605 P CB 0.505 32.257 31.700 0.086 0.000 0.806 606 C N 3.420 122.776 119.300 0.092 0.000 2.563 606 C HA 0.394 4.854 4.460 0.001 0.000 0.314 606 C C 0.255 175.291 174.990 0.077 0.000 1.199 606 C CA -0.293 58.780 59.018 0.092 0.000 1.564 606 C CB 1.478 29.289 27.740 0.117 0.000 2.173 606 C HN 0.523 nan 8.230 nan 0.000 0.485 607 Q N 2.501 122.341 119.800 0.067 0.000 2.377 607 Q HA 0.343 4.683 4.340 0.001 0.000 0.249 607 Q C -0.480 175.564 176.000 0.073 0.000 1.005 607 Q CA 0.513 56.362 55.803 0.077 0.000 0.912 607 Q CB 0.402 29.184 28.738 0.074 0.000 1.223 607 Q HN 0.712 nan 8.270 nan 0.000 0.459 608 Q N 1.987 121.857 119.800 0.117 0.000 2.222 608 Q HA 0.281 4.622 4.340 0.001 0.000 0.252 608 Q C 0.283 176.358 176.000 0.124 0.000 0.926 608 Q CA 0.070 55.941 55.803 0.113 0.000 0.899 608 Q CB 1.629 30.489 28.738 0.203 0.000 1.250 608 Q HN 0.854 nan 8.270 nan 0.000 0.441 609 T N -3.207 111.291 114.554 -0.094 0.000 3.023 609 T HA 0.161 4.512 4.350 0.001 0.000 0.253 609 T C 0.540 174.769 174.700 -0.785 0.000 1.038 609 T CA 0.238 62.215 62.100 -0.206 0.000 0.962 609 T CB 0.271 69.059 68.868 -0.133 0.000 1.018 609 T HN 0.574 nan 8.240 nan 0.000 0.521 610 S N -0.423 114.727 115.700 -0.917 0.000 2.636 610 S HA 0.460 4.931 4.470 0.001 0.000 0.266 610 S C 0.211 174.506 174.600 -0.509 0.000 1.147 610 S CA -0.689 56.865 58.200 -1.076 0.000 0.815 610 S CB 0.928 63.822 63.200 -0.510 0.000 1.119 610 S HN -0.004 nan 8.310 nan 0.000 0.470 611 L N 1.477 122.551 121.223 -0.247 0.000 2.079 611 L HA 0.025 4.365 4.340 0.001 0.000 0.210 611 L C 1.579 178.434 176.870 -0.026 0.000 1.081 611 L CA 2.836 57.665 54.840 -0.019 0.000 0.752 611 L CB -0.725 41.349 42.059 0.025 0.000 0.896 611 L HN 0.938 nan 8.230 nan 0.000 0.433 612 D N -1.410 118.953 120.400 -0.063 0.000 2.388 612 D HA 0.252 4.893 4.640 0.001 0.000 0.221 612 D C 0.253 176.531 176.300 -0.036 0.000 1.133 612 D CA 0.410 54.397 54.000 -0.022 0.000 0.831 612 D CB -0.004 40.790 40.800 -0.010 0.000 0.962 612 D HN 0.246 nan 8.370 nan 0.000 0.502 613 A N -0.311 122.468 122.820 -0.069 0.000 2.374 613 A HA 0.762 5.082 4.320 0.001 0.000 0.305 613 A C -0.158 177.395 177.584 -0.051 0.000 1.053 613 A CA -0.389 51.606 52.037 -0.069 0.000 0.726 613 A CB 1.895 20.833 19.000 -0.103 0.000 1.229 613 A HN 0.236 nan 8.150 nan 0.000 0.431 614 G N 2.080 110.854 108.800 -0.045 0.000 2.513 614 G HA2 0.506 4.467 3.960 0.001 0.000 0.282 614 G HA3 0.506 4.467 3.960 0.001 0.000 0.282 614 G C -0.912 173.971 174.900 -0.029 0.000 1.397 614 G CA -0.395 44.693 45.100 -0.020 0.000 1.291 614 G HN 0.521 nan 8.290 nan 0.000 0.596 615 I N 2.957 123.521 120.570 -0.009 0.000 2.371 615 I HA 0.203 4.374 4.170 0.001 0.000 0.290 615 I C 0.374 176.491 176.117 0.000 0.000 1.028 615 I CA -0.671 60.621 61.300 -0.013 0.000 1.345 615 I CB 1.493 39.486 38.000 -0.011 0.000 1.407 615 I HN 0.391 nan 8.210 nan 0.000 0.501 616 L N 7.657 128.865 121.223 -0.023 0.000 2.477 616 L HA 0.143 4.483 4.340 0.001 0.000 0.272 616 L C 0.863 177.688 176.870 -0.076 0.000 1.157 616 L CA 0.721 55.528 54.840 -0.055 0.000 0.889 616 L CB 0.310 42.249 42.059 -0.200 0.000 1.158 616 L HN 0.511 nan 8.230 nan 0.000 0.473 617 I N 2.796 123.342 120.570 -0.040 0.000 2.480 617 I HA 0.038 4.209 4.170 0.001 0.000 0.251 617 I C 0.852 176.948 176.117 -0.034 0.000 1.124 617 I CA 0.810 62.101 61.300 -0.015 0.000 1.444 617 I CB -0.033 37.984 38.000 0.029 0.000 1.098 617 I HN 0.759 nan 8.210 nan 0.000 0.428 618 T N -1.769 112.746 114.554 -0.065 0.000 2.827 618 T HA 0.244 4.595 4.350 0.001 0.000 0.328 618 T C -2.204 172.469 174.700 -0.046 0.000 1.598 618 T CA -0.656 61.422 62.100 -0.037 0.000 1.043 618 T CB 0.552 69.456 68.868 0.061 0.000 1.447 618 T HN 0.079 nan 8.240 nan 0.000 0.491 619 W N 2.035 123.375 121.300 0.067 0.000 2.237 619 W HA 0.557 5.217 4.660 0.001 0.000 0.335 619 W C 0.962 177.573 176.519 0.153 0.000 1.230 619 W CA -0.197 57.172 57.345 0.041 0.000 1.253 619 W CB 1.393 30.868 29.460 0.025 0.000 1.129 619 W HN 0.845 nan 8.180 nan 0.000 0.590 620 T N -1.010 113.908 114.554 0.608 0.000 2.804 620 T HA 0.629 4.979 4.350 0.001 0.000 0.290 620 T C -0.230 174.763 174.700 0.489 0.000 1.099 620 T CA -0.894 61.481 62.100 0.458 0.000 1.011 620 T CB 2.149 71.234 68.868 0.361 0.000 1.291 620 T HN 0.611 nan 8.240 nan 0.000 0.523 621 K N -0.700 119.936 120.400 0.393 0.000 1.860 621 K HA -0.191 4.130 4.320 0.001 0.000 0.320 621 K C 1.129 177.915 176.600 0.311 0.000 1.716 621 K CA 1.128 57.625 56.287 0.350 0.000 0.609 621 K CB -1.760 30.930 32.500 0.318 0.000 0.915 621 K HN 1.004 nan 8.250 nan 0.000 0.766 622 G N 0.162 109.135 108.800 0.289 0.000 3.189 622 G HA2 0.289 4.250 3.960 0.001 0.000 0.225 622 G HA3 0.289 4.250 3.960 0.001 0.000 0.225 622 G C -0.275 174.604 174.900 -0.034 0.000 1.159 622 G CA -0.248 44.915 45.100 0.106 0.000 0.763 622 G HN 0.159 nan 8.290 nan 0.000 0.549 623 F N 0.855 120.693 119.950 -0.186 0.000 2.399 623 F HA 0.454 4.981 4.527 0.001 0.000 0.342 623 F C 1.088 176.347 175.800 -0.903 0.000 1.106 623 F CA -0.330 57.268 58.000 -0.670 0.000 1.196 623 F CB 1.665 39.946 39.000 -1.198 0.000 1.163 623 F HN -0.141 nan 8.300 nan 0.000 0.547 624 K N 1.862 121.744 120.400 -0.864 0.000 2.684 624 K HA 0.291 4.612 4.320 0.001 0.000 0.189 624 K C -0.265 176.104 176.600 -0.386 0.000 1.154 624 K CA -0.232 55.685 56.287 -0.616 0.000 1.109 624 K CB 0.677 33.059 32.500 -0.197 0.000 0.826 624 K HN 0.557 nan 8.250 nan 0.000 0.501 625 A N 2.093 124.623 122.820 -0.484 0.000 2.565 625 A HA 0.164 4.484 4.320 0.001 0.000 0.237 625 A C 0.862 178.623 177.584 0.294 0.000 1.053 625 A CA 0.509 52.546 52.037 -0.001 0.000 0.755 625 A CB -0.203 18.878 19.000 0.136 0.000 0.980 625 A HN 0.346 nan 8.150 nan 0.000 0.506 626 T N -0.028 114.620 114.554 0.157 0.000 2.882 626 T HA 0.421 4.772 4.350 0.001 0.000 0.287 626 T C -0.024 174.729 174.700 0.089 0.000 1.014 626 T CA 0.145 62.332 62.100 0.144 0.000 1.049 626 T CB 0.652 69.568 68.868 0.079 0.000 1.001 626 T HN 0.741 nan 8.240 nan 0.000 0.525 627 D N 0.290 120.707 120.400 0.029 0.000 2.699 627 D HA -0.148 4.493 4.640 0.001 0.000 0.239 627 D C 0.470 176.461 176.300 -0.515 0.000 1.136 627 D CA 0.549 54.453 54.000 -0.160 0.000 0.668 627 D CB -1.505 39.228 40.800 -0.113 0.000 1.060 627 D HN 0.708 nan 8.370 nan 0.000 0.429 628 C N -1.251 117.914 119.300 -0.225 0.000 2.854 628 C HA 0.079 4.539 4.460 0.001 0.000 0.524 628 C C 1.122 176.023 174.990 -0.148 0.000 1.332 628 C CA -0.154 58.738 59.018 -0.210 0.000 2.553 628 C CB 0.180 28.010 27.740 0.150 0.000 3.360 628 C HN 0.289 nan 8.230 nan 0.000 0.541 629 V N 2.613 122.453 119.914 -0.124 0.000 2.540 629 V HA 0.390 4.510 4.120 0.001 0.000 0.297 629 V C 1.391 177.536 176.094 0.084 0.000 1.024 629 V CA 2.197 64.431 62.300 -0.110 0.000 1.105 629 V CB -0.060 31.708 31.823 -0.091 0.000 0.938 629 V HN 0.895 nan 8.190 nan 0.000 0.482 630 G N 3.415 112.247 108.800 0.053 0.000 2.175 630 G HA2 -0.199 3.762 3.960 0.001 0.000 0.244 630 G HA3 -0.199 3.762 3.960 0.001 0.000 0.244 630 G C 0.136 175.049 174.900 0.022 0.000 0.982 630 G CA 0.081 45.210 45.100 0.048 0.000 0.641 630 G HN 0.754 nan 8.290 nan 0.000 0.527 631 H N 0.340 119.360 119.070 -0.083 0.000 2.502 631 H HA 0.372 4.928 4.556 0.001 0.000 0.338 631 H C -0.808 174.450 175.328 -0.116 0.000 1.155 631 H CA -0.626 55.365 56.048 -0.095 0.000 1.237 631 H CB 1.629 31.326 29.762 -0.109 0.000 1.534 631 H HN 0.159 nan 8.280 nan 0.000 0.523 632 D N 2.227 122.617 120.400 -0.016 0.000 2.358 632 D HA -0.027 4.613 4.640 0.001 0.000 0.258 632 D C 1.333 177.564 176.300 -0.115 0.000 1.223 632 D CA -0.098 53.864 54.000 -0.063 0.000 0.886 632 D CB 1.279 42.039 40.800 -0.068 0.000 1.120 632 D HN 0.407 nan 8.370 nan 0.000 0.482 633 V N 2.580 122.388 119.914 -0.177 0.000 2.809 633 V HA -0.135 3.985 4.120 0.001 0.000 0.256 633 V C 1.945 177.951 176.094 -0.147 0.000 1.080 633 V CA 0.779 62.907 62.300 -0.285 0.000 1.102 633 V CB -0.517 30.978 31.823 -0.547 0.000 0.705 633 V HN 0.416 nan 8.190 nan 0.000 0.475 634 V N 1.316 121.195 119.914 -0.058 0.000 2.358 634 V HA -0.198 3.923 4.120 0.001 0.000 0.246 634 V C 2.798 178.866 176.094 -0.043 0.000 1.047 634 V CA 2.598 64.917 62.300 0.031 0.000 1.035 634 V CB -1.267 30.578 31.823 0.037 0.000 0.658 634 V HN 0.640 nan 8.190 nan 0.000 0.452 635 T N 0.709 115.212 114.554 -0.085 0.000 2.746 635 T HA -0.142 4.209 4.350 0.001 0.000 0.267 635 T C 1.917 176.519 174.700 -0.163 0.000 1.039 635 T CA 1.504 63.546 62.100 -0.096 0.000 1.142 635 T CB -0.319 68.501 68.868 -0.079 0.000 0.866 635 T HN 0.291 nan 8.240 nan 0.000 0.444 636 L N 0.175 121.216 121.223 -0.304 0.000 2.042 636 L HA -0.082 4.258 4.340 0.001 0.000 0.210 636 L C 2.476 179.032 176.870 -0.524 0.000 1.076 636 L CA 0.912 55.404 54.840 -0.580 0.000 0.749 636 L CB -0.555 40.760 42.059 -1.240 0.000 0.893 636 L HN 0.225 nan 8.230 nan 0.000 0.432 637 L N -0.179 120.840 121.223 -0.340 0.000 2.027 637 L HA -0.159 4.182 4.340 0.001 0.000 0.206 637 L C 2.740 179.603 176.870 -0.013 0.000 1.074 637 L CA 1.615 56.453 54.840 -0.003 0.000 0.745 637 L CB -0.473 41.632 42.059 0.077 0.000 0.898 637 L HN 0.065 nan 8.230 nan 0.000 0.433 638 R N -0.365 120.111 120.500 -0.040 0.000 2.091 638 R HA -0.162 4.178 4.340 0.001 0.000 0.238 638 R C 1.887 178.157 176.300 -0.049 0.000 1.136 638 R CA 1.580 57.661 56.100 -0.032 0.000 0.959 638 R CB -0.586 29.696 30.300 -0.029 0.000 0.856 638 R HN 0.440 nan 8.270 nan 0.000 0.437 639 D N 0.463 120.824 120.400 -0.066 0.000 2.117 639 D HA -0.104 4.536 4.640 0.001 0.000 0.197 639 D C 1.734 178.010 176.300 -0.040 0.000 0.987 639 D CA 1.470 55.436 54.000 -0.056 0.000 0.829 639 D CB -0.188 40.576 40.800 -0.061 0.000 0.961 639 D HN 0.242 nan 8.370 nan 0.000 0.460 640 A N 0.274 123.084 122.820 -0.017 0.000 2.014 640 A HA -0.045 4.276 4.320 0.001 0.000 0.218 640 A C 2.292 179.857 177.584 -0.033 0.000 1.163 640 A CA 0.522 52.574 52.037 0.024 0.000 0.652 640 A CB -0.472 18.608 19.000 0.133 0.000 0.808 640 A HN 0.181 nan 8.150 nan 0.000 0.449 641 I N -0.693 119.833 120.570 -0.073 0.000 2.233 641 I HA -0.220 3.950 4.170 0.001 0.000 0.243 641 I C 2.395 178.373 176.117 -0.231 0.000 1.093 641 I CA 1.309 62.475 61.300 -0.223 0.000 1.380 641 I CB -0.301 37.586 38.000 -0.189 0.000 1.067 641 I HN 0.249 nan 8.210 nan 0.000 0.413 642 K N 0.636 120.955 120.400 -0.136 0.000 2.103 642 K HA -0.152 4.169 4.320 0.001 0.000 0.207 642 K C 2.264 178.809 176.600 -0.091 0.000 1.048 642 K CA 1.243 57.466 56.287 -0.107 0.000 0.930 642 K CB -0.111 32.348 32.500 -0.069 0.000 0.716 642 K HN 0.273 nan 8.250 nan 0.000 0.444 643 R N 0.159 120.617 120.500 -0.071 0.000 2.092 643 R HA -0.076 4.265 4.340 0.001 0.000 0.231 643 R C 2.326 178.591 176.300 -0.058 0.000 1.119 643 R CA 0.955 57.028 56.100 -0.046 0.000 0.970 643 R CB -0.129 30.160 30.300 -0.019 0.000 0.864 643 R HN 0.139 nan 8.270 nan 0.000 0.440 644 R N 1.096 121.538 120.500 -0.095 0.000 2.148 644 R HA -0.119 4.221 4.340 0.001 0.000 0.223 644 R C 0.058 176.292 176.300 -0.111 0.000 1.088 644 R CA 0.555 56.596 56.100 -0.097 0.000 0.985 644 R CB 0.107 30.329 30.300 -0.129 0.000 0.880 644 R HN -0.030 nan 8.270 nan 0.000 0.451 645 E N 0.362 120.474 120.200 -0.148 0.000 2.228 645 E HA -0.243 4.107 4.350 0.001 0.000 0.213 645 E C -0.714 175.822 176.600 -0.106 0.000 1.282 645 E CA 1.257 57.586 56.400 -0.118 0.000 0.707 645 E CB -1.060 28.601 29.700 -0.065 0.000 1.150 645 E HN 0.621 nan 8.360 nan 0.000 0.362 646 E N -1.152 118.945 120.200 -0.172 0.000 3.034 646 E HA 0.244 4.594 4.350 0.001 0.000 0.237 646 E C 0.422 176.997 176.600 -0.041 0.000 1.117 646 E CA -0.007 56.356 56.400 -0.061 0.000 0.969 646 E CB -0.030 29.690 29.700 0.033 0.000 2.998 646 E HN 0.215 nan 8.360 nan 0.000 0.581 647 F N 1.354 121.309 119.950 0.009 0.000 2.399 647 F HA 0.514 5.041 4.527 0.001 0.000 0.313 647 F C 0.034 175.840 175.800 0.010 0.000 1.202 647 F CA -0.802 57.204 58.000 0.010 0.000 1.192 647 F CB 0.362 39.371 39.000 0.015 0.000 1.256 647 F HN -0.089 nan 8.300 nan 0.000 0.558 648 D N 0.562 121.081 120.400 0.198 0.000 2.419 648 D HA 0.672 5.312 4.640 0.001 0.000 0.234 648 D C -1.355 175.095 176.300 0.250 0.000 1.014 648 D CA -0.430 53.631 54.000 0.102 0.000 0.919 648 D CB 1.901 42.727 40.800 0.043 0.000 1.366 648 D HN 0.682 nan 8.370 nan 0.000 0.490 649 L N 1.081 122.413 121.223 0.181 0.000 2.415 649 L HA 0.354 4.694 4.340 0.001 0.000 0.256 649 L C -1.252 175.684 176.870 0.110 0.000 1.010 649 L CA -0.960 53.988 54.840 0.181 0.000 0.826 649 L CB 2.380 44.581 42.059 0.237 0.000 1.405 649 L HN 0.321 nan 8.230 nan 0.000 0.410 650 D N 1.464 121.925 120.400 0.101 0.000 2.477 650 D HA 0.286 4.927 4.640 0.001 0.000 0.239 650 D C -0.801 175.556 176.300 0.096 0.000 1.102 650 D CA -0.293 53.758 54.000 0.084 0.000 0.901 650 D CB 1.181 42.027 40.800 0.076 0.000 1.026 650 D HN 0.056 nan 8.370 nan 0.000 0.515 651 V N 4.580 124.547 119.914 0.088 0.000 2.403 651 V HA 0.030 4.150 4.120 0.001 0.000 0.265 651 V C 1.448 177.597 176.094 0.091 0.000 1.034 651 V CA -0.190 62.171 62.300 0.102 0.000 1.036 651 V CB 1.011 32.895 31.823 0.102 0.000 1.032 651 V HN 0.450 nan 8.190 nan 0.000 0.478 652 V N 3.840 123.815 119.914 0.102 0.000 3.471 652 V HA 0.449 4.569 4.120 0.001 0.000 0.258 652 V C 0.837 176.971 176.094 0.067 0.000 1.192 652 V CA 1.139 63.487 62.300 0.080 0.000 1.116 652 V CB 0.128 32.008 31.823 0.094 0.000 0.792 652 V HN 0.937 nan 8.190 nan 0.000 0.459 653 A N -0.529 122.346 122.820 0.093 0.000 2.594 653 A HA 0.688 5.008 4.320 0.001 0.000 0.296 653 A C -1.597 176.062 177.584 0.125 0.000 1.061 653 A CA -0.295 51.792 52.037 0.083 0.000 0.689 653 A CB 2.042 21.077 19.000 0.057 0.000 1.280 653 A HN 0.156 nan 8.150 nan 0.000 0.406 654 V N 2.457 122.418 119.914 0.078 0.000 2.444 654 V HA 0.776 4.896 4.120 0.001 0.000 0.294 654 V C -1.279 174.832 176.094 0.028 0.000 1.022 654 V CA -0.333 61.990 62.300 0.038 0.000 0.850 654 V CB 1.343 33.135 31.823 -0.053 0.000 0.992 654 V HN 1.018 nan 8.190 nan 0.000 0.426 655 V N 6.913 126.843 119.914 0.026 0.000 2.789 655 V HA 0.482 4.602 4.120 0.001 0.000 0.311 655 V C 0.141 176.238 176.094 0.004 0.000 1.073 655 V CA -0.809 61.505 62.300 0.023 0.000 0.921 655 V CB 2.031 33.875 31.823 0.034 0.000 1.009 655 V HN 0.969 nan 8.190 nan 0.000 0.426 656 N N 2.325 121.015 118.700 -0.018 0.000 2.467 656 N HA 0.042 4.783 4.740 0.001 0.000 0.262 656 N C 0.501 175.970 175.510 -0.069 0.000 1.234 656 N CA -0.188 52.828 53.050 -0.057 0.000 0.952 656 N CB 1.594 40.041 38.487 -0.067 0.000 1.158 656 N HN 0.868 nan 8.380 nan 0.000 0.463 657 D N 0.633 120.971 120.400 -0.102 0.000 2.219 657 D HA -0.173 4.467 4.640 0.001 0.000 0.205 657 D C 1.656 177.903 176.300 -0.090 0.000 0.970 657 D CA 1.628 55.576 54.000 -0.087 0.000 0.851 657 D CB -0.841 39.897 40.800 -0.104 0.000 0.943 657 D HN 0.697 nan 8.370 nan 0.000 0.488 658 T N -0.686 113.802 114.554 -0.110 0.000 2.708 658 T HA -0.146 4.205 4.350 0.001 0.000 0.266 658 T C 2.233 176.878 174.700 -0.091 0.000 1.037 658 T CA 1.579 63.608 62.100 -0.119 0.000 1.146 658 T CB -0.983 67.793 68.868 -0.154 0.000 0.865 658 T HN 0.088 nan 8.240 nan 0.000 0.435 659 V N 2.083 121.949 119.914 -0.079 0.000 2.358 659 V HA 0.028 4.148 4.120 0.001 0.000 0.246 659 V C 3.130 179.194 176.094 -0.049 0.000 1.047 659 V CA 1.711 63.972 62.300 -0.064 0.000 1.035 659 V CB -1.622 30.167 31.823 -0.057 0.000 0.658 659 V HN 0.678 nan 8.190 nan 0.000 0.452 660 G N -0.205 108.570 108.800 -0.043 0.000 2.446 660 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 660 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 660 G C 1.705 176.582 174.900 -0.039 0.000 1.168 660 G CA 1.635 46.714 45.100 -0.035 0.000 0.771 660 G HN 0.450 nan 8.290 nan 0.000 0.551 661 T N 0.850 115.376 114.554 -0.047 0.000 2.684 661 T HA -0.177 4.173 4.350 0.001 0.000 0.267 661 T C 2.259 176.937 174.700 -0.038 0.000 1.036 661 T CA 1.494 63.567 62.100 -0.045 0.000 1.148 661 T CB -0.241 68.590 68.868 -0.061 0.000 0.863 661 T HN 0.261 nan 8.240 nan 0.000 0.436 662 M N 0.298 119.872 119.600 -0.044 0.000 2.080 662 M HA -0.141 4.340 4.480 0.001 0.000 0.260 662 M C 2.060 178.348 176.300 -0.019 0.000 1.068 662 M CA 1.717 56.996 55.300 -0.035 0.000 1.109 662 M CB -0.202 32.372 32.600 -0.043 0.000 1.342 662 M HN 0.164 nan 8.290 nan 0.000 0.405 663 M N -0.658 118.930 119.600 -0.020 0.000 2.086 663 M HA -0.147 4.334 4.480 0.001 0.000 0.261 663 M C 2.138 178.448 176.300 0.017 0.000 1.067 663 M CA 1.823 57.121 55.300 -0.004 0.000 1.116 663 M CB -1.806 30.783 32.600 -0.020 0.000 1.348 663 M HN 0.297 nan 8.290 nan 0.000 0.407 664 T N 0.449 115.000 114.554 -0.006 0.000 2.665 664 T HA -0.220 4.131 4.350 0.001 0.000 0.268 664 T C 1.998 176.728 174.700 0.049 0.000 1.035 664 T CA 1.917 64.014 62.100 -0.005 0.000 1.151 664 T CB -0.625 68.227 68.868 -0.027 0.000 0.862 664 T HN 0.615 nan 8.240 nan 0.000 0.438 665 C N 1.708 121.028 119.300 0.034 0.000 2.457 665 C HA 0.307 4.767 4.460 0.001 0.000 0.278 665 C C 2.987 178.010 174.990 0.055 0.000 1.309 665 C CA 0.506 59.549 59.018 0.042 0.000 1.735 665 C CB -1.459 26.288 27.740 0.011 0.000 1.992 665 C HN 0.559 nan 8.230 nan 0.000 0.493 666 A N -1.344 121.504 122.820 0.046 0.000 2.167 666 A HA -0.006 4.314 4.320 0.001 0.000 0.214 666 A C 1.817 179.441 177.584 0.067 0.000 1.151 666 A CA 1.019 53.076 52.037 0.033 0.000 0.735 666 A CB -1.022 17.983 19.000 0.008 0.000 0.802 666 A HN 0.824 nan 8.150 nan 0.000 0.467 667 Y N 0.812 121.099 120.300 -0.022 0.000 2.151 667 Y HA -0.234 4.317 4.550 0.001 0.000 0.284 667 Y C 2.026 177.919 175.900 -0.012 0.000 1.166 667 Y CA 2.429 60.519 58.100 -0.016 0.000 1.163 667 Y CB 0.145 38.597 38.460 -0.014 0.000 0.974 667 Y HN 0.327 nan 8.280 nan 0.000 0.511 668 E N -0.254 119.922 120.200 -0.040 0.000 2.340 668 E HA 0.046 4.397 4.350 0.001 0.000 0.198 668 E C -0.152 176.408 176.600 -0.068 0.000 0.961 668 E CA 0.400 56.733 56.400 -0.112 0.000 0.905 668 E CB 0.218 29.914 29.700 -0.007 0.000 0.884 668 E HN 0.487 nan 8.360 nan 0.000 0.491 669 E N 1.776 121.958 120.200 -0.030 0.000 2.114 669 E HA 0.165 4.516 4.350 0.001 0.000 0.266 669 E C -1.928 174.650 176.600 -0.035 0.000 0.896 669 E CA -2.022 54.358 56.400 -0.033 0.000 0.750 669 E CB 1.883 31.568 29.700 -0.025 0.000 1.121 669 E HN -0.068 nan 8.360 nan 0.000 0.413 670 P HA -0.139 nan 4.420 nan 0.000 0.222 670 P C 1.031 178.311 177.300 -0.034 0.000 1.147 670 P CA 1.188 64.266 63.100 -0.038 0.000 0.790 670 P CB 0.122 31.799 31.700 -0.038 0.000 0.780 671 T N -4.182 110.350 114.554 -0.038 0.000 3.100 671 T HA 0.031 4.382 4.350 0.001 0.000 0.253 671 T C 0.971 175.642 174.700 -0.049 0.000 1.118 671 T CA -0.273 61.801 62.100 -0.043 0.000 1.058 671 T CB -1.389 67.450 68.868 -0.049 0.000 0.953 671 T HN 0.058 nan 8.240 nan 0.000 0.515 672 C N 2.787 122.061 119.300 -0.044 0.000 2.520 672 C HA 0.351 4.811 4.460 0.001 0.000 0.369 672 C C 1.002 175.971 174.990 -0.036 0.000 1.244 672 C CA -0.290 58.700 59.018 -0.047 0.000 1.677 672 C CB -1.521 26.199 27.740 -0.033 0.000 2.324 672 C HN 0.616 nan 8.230 nan 0.000 0.557 673 E N 3.122 123.301 120.200 -0.035 0.000 2.759 673 E HA 0.237 4.588 4.350 0.001 0.000 0.220 673 E C -0.700 175.908 176.600 0.013 0.000 0.974 673 E CA 0.042 56.435 56.400 -0.012 0.000 1.148 673 E CB 1.235 30.935 29.700 -0.000 0.000 1.059 673 E HN 0.581 nan 8.360 nan 0.000 0.493 674 V N 0.208 120.116 119.914 -0.011 0.000 2.841 674 V HA 0.656 4.776 4.120 0.001 0.000 0.310 674 V C 0.033 176.105 176.094 -0.035 0.000 1.090 674 V CA -0.987 61.314 62.300 0.001 0.000 0.930 674 V CB 2.040 33.852 31.823 -0.019 0.000 1.014 674 V HN 0.155 nan 8.190 nan 0.000 0.425 675 G N 2.495 111.266 108.800 -0.048 0.000 2.495 675 G HA2 0.732 4.692 3.960 0.001 0.000 0.318 675 G HA3 0.732 4.692 3.960 0.001 0.000 0.318 675 G C -1.901 172.929 174.900 -0.117 0.000 1.257 675 G CA -0.569 44.486 45.100 -0.075 0.000 0.962 675 G HN 0.645 nan 8.290 nan 0.000 0.483 676 L N 2.233 123.391 121.223 -0.108 0.000 2.431 676 L HA 0.733 5.073 4.340 0.001 0.000 0.266 676 L C -1.470 175.316 176.870 -0.139 0.000 0.978 676 L CA -0.916 53.842 54.840 -0.138 0.000 0.822 676 L CB 1.962 44.019 42.059 -0.004 0.000 1.310 676 L HN 0.334 nan 8.230 nan 0.000 0.409 677 I N 5.824 126.310 120.570 -0.139 0.000 2.436 677 I HA 0.480 4.651 4.170 0.001 0.000 0.289 677 I C -0.640 175.459 176.117 -0.031 0.000 1.010 677 I CA -0.645 60.595 61.300 -0.100 0.000 1.098 677 I CB 1.905 39.844 38.000 -0.102 0.000 1.266 677 I HN 0.341 nan 8.210 nan 0.000 0.434 678 V N 6.120 126.008 119.914 -0.043 0.000 2.383 678 V HA 0.671 4.792 4.120 0.001 0.000 0.264 678 V C 0.464 176.512 176.094 -0.077 0.000 1.001 678 V CA -0.181 62.094 62.300 -0.043 0.000 0.828 678 V CB 0.860 32.613 31.823 -0.116 0.000 1.069 678 V HN 0.992 nan 8.190 nan 0.000 0.451 679 G N 1.555 110.327 108.800 -0.047 0.000 3.366 679 G HA2 0.259 4.219 3.960 0.001 0.000 0.179 679 G HA3 0.259 4.219 3.960 0.001 0.000 0.179 679 G C 0.936 175.817 174.900 -0.032 0.000 1.143 679 G CA 0.758 45.832 45.100 -0.044 0.000 0.810 679 G HN 0.261 nan 8.290 nan 0.000 0.697 680 T N 0.567 115.106 114.554 -0.025 0.000 2.684 680 T HA 0.144 4.494 4.350 0.001 0.000 0.267 680 T C 1.159 175.867 174.700 0.012 0.000 1.036 680 T CA 1.647 63.732 62.100 -0.026 0.000 1.148 680 T CB -0.452 68.411 68.868 -0.008 0.000 0.863 680 T HN 0.712 nan 8.240 nan 0.000 0.436 681 G N -0.405 108.421 108.800 0.042 0.000 2.788 681 G HA2 0.577 4.537 3.960 0.001 0.000 0.293 681 G HA3 0.577 4.537 3.960 0.001 0.000 0.293 681 G C -1.361 173.601 174.900 0.103 0.000 1.305 681 G CA -0.476 44.696 45.100 0.120 0.000 1.005 681 G HN 0.219 nan 8.290 nan 0.000 0.496 682 S N -0.609 115.200 115.700 0.181 0.000 2.548 682 S HA 0.747 5.218 4.470 0.001 0.000 0.286 682 S C -0.810 173.964 174.600 0.289 0.000 1.098 682 S CA -0.699 57.648 58.200 0.245 0.000 0.930 682 S CB 1.872 65.280 63.200 0.347 0.000 1.070 682 S HN 0.884 nan 8.310 nan 0.000 0.480 683 N N 0.879 119.568 118.700 -0.017 0.000 3.227 683 N HA 0.744 5.485 4.740 0.001 0.000 0.241 683 N C -1.977 172.968 175.510 -0.941 0.000 1.480 683 N CA 0.134 52.887 53.050 -0.495 0.000 0.886 683 N CB 1.402 39.778 38.487 -0.186 0.000 1.406 683 N HN 0.995 nan 8.380 nan 0.000 0.514 684 A N -0.372 121.854 122.820 -0.991 0.000 2.612 684 A HA 0.742 5.063 4.320 0.001 0.000 0.293 684 A C -0.974 176.405 177.584 -0.342 0.000 1.075 684 A CA -0.290 51.288 52.037 -0.765 0.000 0.680 684 A CB 0.093 18.335 19.000 -1.264 0.000 1.279 684 A HN 1.424 nan 8.150 nan 0.000 0.411 685 C N -0.443 118.755 119.300 -0.169 0.000 3.090 685 C HA 1.054 5.514 4.460 0.001 0.000 0.305 685 C C -1.188 173.855 174.990 0.089 0.000 1.292 685 C CA -0.753 58.238 59.018 -0.045 0.000 1.482 685 C CB 0.712 28.392 27.740 -0.100 0.000 1.897 685 C HN 2.089 nan 8.230 nan 0.000 0.469 686 Y N 0.426 120.667 120.300 -0.099 0.000 2.620 686 Y HA 0.664 5.215 4.550 0.001 0.000 0.331 686 Y C -1.105 174.753 175.900 -0.070 0.000 1.173 686 Y CA -1.417 56.636 58.100 -0.079 0.000 1.076 686 Y CB 0.842 39.263 38.460 -0.065 0.000 1.336 686 Y HN 0.704 nan 8.280 nan 0.000 0.459 687 M N 3.393 122.930 119.600 -0.105 0.000 2.220 687 M HA 0.245 4.725 4.480 0.001 0.000 0.343 687 M C -0.397 175.805 176.300 -0.164 0.000 1.470 687 M CA 0.223 55.418 55.300 -0.174 0.000 1.161 687 M CB 0.247 32.809 32.600 -0.063 0.000 1.737 687 M HN 0.845 nan 8.290 nan 0.000 0.464 688 E N 2.608 122.613 120.200 -0.326 0.000 2.227 688 E HA 0.330 4.680 4.350 0.001 0.000 0.268 688 E C -0.783 175.757 176.600 -0.100 0.000 0.990 688 E CA -0.424 55.872 56.400 -0.174 0.000 0.856 688 E CB 1.083 30.604 29.700 -0.298 0.000 1.159 688 E HN 0.341 nan 8.360 nan 0.000 0.401 689 E N 3.495 123.672 120.200 -0.039 0.000 2.313 689 E HA 0.056 4.406 4.350 0.001 0.000 0.276 689 E C 0.804 177.368 176.600 -0.060 0.000 1.031 689 E CA -0.296 56.080 56.400 -0.040 0.000 0.857 689 E CB 0.615 30.306 29.700 -0.015 0.000 1.040 689 E HN 0.648 nan 8.360 nan 0.000 0.408 690 M N 2.292 121.853 119.600 -0.066 0.000 2.202 690 M HA -0.207 4.274 4.480 0.001 0.000 0.262 690 M C 1.702 177.969 176.300 -0.056 0.000 1.063 690 M CA 1.658 56.914 55.300 -0.075 0.000 1.097 690 M CB -0.791 31.769 32.600 -0.067 0.000 1.382 690 M HN 0.489 nan 8.290 nan 0.000 0.413 691 K N -0.961 119.417 120.400 -0.037 0.000 2.209 691 K HA -0.129 4.191 4.320 0.001 0.000 0.204 691 K C 1.164 177.750 176.600 -0.024 0.000 1.048 691 K CA 1.357 57.628 56.287 -0.026 0.000 0.940 691 K CB -0.359 32.132 32.500 -0.016 0.000 0.729 691 K HN 0.280 nan 8.250 nan 0.000 0.451 692 N N 0.952 119.637 118.700 -0.025 0.000 2.424 692 N HA 0.006 4.746 4.740 0.001 0.000 0.178 692 N C -0.100 175.389 175.510 -0.035 0.000 1.060 692 N CA 0.395 53.435 53.050 -0.016 0.000 0.901 692 N CB 0.461 38.951 38.487 0.006 0.000 0.979 692 N HN -0.020 nan 8.380 nan 0.000 0.451 693 V N 2.744 122.618 119.914 -0.066 0.000 2.223 693 V HA 0.079 4.200 4.120 0.001 0.000 0.249 693 V C 1.045 177.087 176.094 -0.087 0.000 1.233 693 V CA -0.022 62.218 62.300 -0.101 0.000 1.131 693 V CB -0.254 31.477 31.823 -0.154 0.000 1.298 693 V HN 0.160 nan 8.190 nan 0.000 0.498 694 E N 2.627 122.788 120.200 -0.064 0.000 2.274 694 E HA -0.101 4.249 4.350 0.001 0.000 0.194 694 E C 1.598 178.162 176.600 -0.059 0.000 0.996 694 E CA 0.693 57.065 56.400 -0.046 0.000 0.840 694 E CB 0.004 29.691 29.700 -0.021 0.000 0.772 694 E HN 0.546 nan 8.360 nan 0.000 0.491 695 M N 0.720 120.259 119.600 -0.103 0.000 2.659 695 M HA 0.053 4.533 4.480 0.001 0.000 0.243 695 M C 0.205 176.460 176.300 -0.075 0.000 1.111 695 M CA 0.544 55.779 55.300 -0.109 0.000 1.070 695 M CB 0.106 32.572 32.600 -0.224 0.000 1.525 695 M HN -0.176 nan 8.290 nan 0.000 0.517 696 V N 0.393 120.257 119.914 -0.083 0.000 2.487 696 V HA 0.243 4.364 4.120 0.001 0.000 0.298 696 V C 0.117 176.191 176.094 -0.034 0.000 1.028 696 V CA -1.312 60.953 62.300 -0.058 0.000 0.860 696 V CB 2.307 34.035 31.823 -0.158 0.000 0.991 696 V HN 0.195 nan 8.190 nan 0.000 0.427 697 E N 2.994 123.197 120.200 0.006 0.000 2.384 697 E HA 0.489 4.839 4.350 0.001 0.000 0.266 697 E C 0.251 176.851 176.600 0.000 0.000 1.012 697 E CA 0.824 57.228 56.400 0.005 0.000 0.901 697 E CB 0.872 30.584 29.700 0.020 0.000 0.967 697 E HN 1.134 nan 8.360 nan 0.000 0.435 698 G N 3.393 112.188 108.800 -0.008 0.000 2.627 698 G HA2 -0.089 3.871 3.960 0.001 0.000 0.680 698 G HA3 -0.089 3.871 3.960 0.001 0.000 0.680 698 G C -0.635 174.251 174.900 -0.022 0.000 1.341 698 G CA -0.447 44.646 45.100 -0.011 0.000 0.835 698 G HN 0.589 nan 8.290 nan 0.000 0.643 699 D N 0.492 120.880 120.400 -0.019 0.000 2.535 699 D HA 0.131 4.772 4.640 0.001 0.000 0.229 699 D C 0.964 177.251 176.300 -0.022 0.000 1.238 699 D CA 0.286 54.273 54.000 -0.022 0.000 0.824 699 D CB 0.836 41.627 40.800 -0.015 0.000 1.045 699 D HN 0.798 nan 8.370 nan 0.000 0.500 700 Q N -0.011 119.776 119.800 -0.022 0.000 2.293 700 Q HA 0.574 4.915 4.340 0.001 0.000 0.261 700 Q C 0.662 176.646 176.000 -0.027 0.000 0.960 700 Q CA -0.853 54.938 55.803 -0.019 0.000 0.882 700 Q CB 2.293 31.024 28.738 -0.012 0.000 1.275 700 Q HN -0.031 nan 8.270 nan 0.000 0.445 701 G N 1.898 110.683 108.800 -0.026 0.000 2.593 701 G HA2 -0.247 3.713 3.960 0.001 0.000 0.237 701 G HA3 -0.247 3.713 3.960 0.001 0.000 0.237 701 G C -0.836 174.036 174.900 -0.046 0.000 1.312 701 G CA -0.232 44.849 45.100 -0.032 0.000 0.896 701 G HN 0.757 nan 8.290 nan 0.000 0.574 702 Q N -1.183 118.583 119.800 -0.058 0.000 2.495 702 Q HA 0.804 5.144 4.340 0.001 0.000 0.283 702 Q C -0.157 175.774 176.000 -0.116 0.000 1.097 702 Q CA -0.859 54.894 55.803 -0.082 0.000 0.836 702 Q CB 2.345 31.039 28.738 -0.073 0.000 1.426 702 Q HN 0.742 nan 8.270 nan 0.000 0.459 703 M N 0.803 120.305 119.600 -0.163 0.000 2.322 703 M HA 0.326 4.807 4.480 0.001 0.000 0.286 703 M C -1.676 174.470 176.300 -0.257 0.000 1.111 703 M CA -0.548 54.624 55.300 -0.212 0.000 0.941 703 M CB 1.761 34.189 32.600 -0.286 0.000 1.671 703 M HN 0.846 nan 8.290 nan 0.000 0.470 704 C N 6.142 125.306 119.300 -0.226 0.000 2.629 704 C HA 0.454 4.915 4.460 0.001 0.000 0.410 704 C C -0.229 174.588 174.990 -0.289 0.000 1.339 704 C CA -0.362 58.508 59.018 -0.246 0.000 1.810 704 C CB -0.718 26.927 27.740 -0.158 0.000 2.549 704 C HN 0.656 nan 8.230 nan 0.000 0.589 705 I N 6.461 126.796 120.570 -0.391 0.000 2.354 705 I HA 0.254 4.425 4.170 0.001 0.000 0.292 705 I C 0.122 176.120 176.117 -0.198 0.000 0.989 705 I CA -0.071 61.032 61.300 -0.329 0.000 1.188 705 I CB 1.257 38.979 38.000 -0.464 0.000 1.342 705 I HN 0.721 nan 8.210 nan 0.000 0.457 706 N N 6.806 125.439 118.700 -0.113 0.000 2.469 706 N HA 0.237 4.978 4.740 0.001 0.000 0.239 706 N C 0.744 176.246 175.510 -0.014 0.000 1.053 706 N CA -0.123 52.888 53.050 -0.066 0.000 0.937 706 N CB 0.761 39.219 38.487 -0.048 0.000 1.163 706 N HN 0.526 nan 8.380 nan 0.000 0.509 707 M N 1.269 120.878 119.600 0.014 0.000 2.080 707 M HA -0.091 4.389 4.480 0.001 0.000 0.260 707 M C -0.008 176.364 176.300 0.121 0.000 1.068 707 M CA 1.233 56.591 55.300 0.097 0.000 1.109 707 M CB -0.171 32.512 32.600 0.139 0.000 1.342 707 M HN 0.454 nan 8.290 nan 0.000 0.405 708 E N -0.277 119.979 120.200 0.094 0.000 2.287 708 E HA -0.210 4.141 4.350 0.001 0.000 0.229 708 E C 0.073 176.844 176.600 0.284 0.000 1.194 708 E CA 0.693 57.180 56.400 0.145 0.000 0.704 708 E CB -1.659 28.115 29.700 0.124 0.000 1.216 708 E HN 0.810 nan 8.360 nan 0.000 0.381 709 W N -0.464 120.907 121.300 0.119 0.000 2.699 709 W HA 0.217 4.878 4.660 0.001 0.000 0.249 709 W C 1.471 178.164 176.519 0.290 0.000 1.280 709 W CA 0.756 58.186 57.345 0.143 0.000 1.345 709 W CB -1.277 28.254 29.460 0.118 0.000 1.128 709 W HN 0.156 nan 8.180 nan 0.000 0.642 710 G N 1.686 110.878 108.800 0.653 0.000 2.505 710 G HA2 -0.247 3.714 3.960 0.001 0.000 0.220 710 G HA3 -0.247 3.714 3.960 0.001 0.000 0.220 710 G C 1.751 176.869 174.900 0.363 0.000 1.145 710 G CA 2.129 47.521 45.100 0.486 0.000 0.761 710 G HN 0.481 nan 8.290 nan 0.000 0.571 711 A N -0.251 122.746 122.820 0.296 0.000 2.206 711 A HA 0.376 4.697 4.320 0.001 0.000 0.211 711 A C 0.878 178.593 177.584 0.217 0.000 1.158 711 A CA -0.448 51.714 52.037 0.209 0.000 0.761 711 A CB -0.397 18.704 19.000 0.168 0.000 0.801 711 A HN 0.297 nan 8.150 nan 0.000 0.473 712 F N 0.877 120.857 119.950 0.050 0.000 2.629 712 F HA 0.330 4.857 4.527 0.001 0.000 0.369 712 F C 1.438 177.206 175.800 -0.053 0.000 1.125 712 F CA 1.030 58.973 58.000 -0.095 0.000 1.330 712 F CB 0.065 38.825 39.000 -0.400 0.000 1.071 712 F HN 0.415 nan 8.300 nan 0.000 0.595 713 G N 3.944 112.541 108.800 -0.339 0.000 2.234 713 G HA2 -0.342 3.618 3.960 0.001 0.000 0.260 713 G HA3 -0.342 3.618 3.960 0.001 0.000 0.260 713 G C 0.892 175.718 174.900 -0.123 0.000 0.987 713 G CA 0.428 45.337 45.100 -0.318 0.000 0.625 713 G HN 0.627 nan 8.290 nan 0.000 0.532 714 D N 1.006 121.384 120.400 -0.038 0.000 2.310 714 D HA -0.021 4.619 4.640 0.001 0.000 0.212 714 D C 2.079 178.365 176.300 -0.024 0.000 0.965 714 D CA 1.330 55.322 54.000 -0.013 0.000 0.879 714 D CB -0.174 40.641 40.800 0.026 0.000 0.921 714 D HN 0.723 nan 8.370 nan 0.000 0.510 715 N N -0.613 118.067 118.700 -0.034 0.000 2.270 715 N HA 0.096 4.836 4.740 0.001 0.000 0.198 715 N C 1.292 176.770 175.510 -0.053 0.000 1.117 715 N CA 0.643 53.673 53.050 -0.032 0.000 0.845 715 N CB 0.390 38.867 38.487 -0.017 0.000 0.980 715 N HN 0.092 nan 8.380 nan 0.000 0.486 716 G N 0.197 108.950 108.800 -0.078 0.000 2.176 716 G HA2 -0.374 3.586 3.960 0.001 0.000 0.253 716 G HA3 -0.374 3.586 3.960 0.001 0.000 0.253 716 G C 1.089 175.917 174.900 -0.121 0.000 0.979 716 G CA 0.270 45.317 45.100 -0.089 0.000 0.641 716 G HN 0.802 nan 8.290 nan 0.000 0.530 717 C N -0.326 118.879 119.300 -0.158 0.000 2.443 717 C HA 0.521 4.981 4.460 0.001 0.000 0.290 717 C C 1.875 176.702 174.990 -0.272 0.000 1.476 717 C CA 0.977 59.879 59.018 -0.194 0.000 1.772 717 C CB -1.140 26.486 27.740 -0.189 0.000 1.714 717 C HN 0.468 nan 8.230 nan 0.000 0.562 718 L N 0.145 121.196 121.223 -0.288 0.000 3.267 718 L HA 0.280 4.621 4.340 0.001 0.000 0.289 718 L C 1.073 177.847 176.870 -0.160 0.000 1.260 718 L CA -0.085 54.597 54.840 -0.264 0.000 1.034 718 L CB -0.197 41.663 42.059 -0.331 0.000 1.413 718 L HN 0.030 nan 8.230 nan 0.000 0.594 719 D N 1.323 121.645 120.400 -0.130 0.000 2.178 719 D HA -0.172 4.469 4.640 0.001 0.000 0.201 719 D C 1.611 177.861 176.300 -0.083 0.000 0.980 719 D CA 1.438 55.379 54.000 -0.097 0.000 0.842 719 D CB 0.158 40.910 40.800 -0.080 0.000 0.948 719 D HN 0.477 nan 8.370 nan 0.000 0.472 720 D N 0.421 120.776 120.400 -0.076 0.000 2.348 720 D HA -0.112 4.528 4.640 0.001 0.000 0.216 720 D C 1.928 178.195 176.300 -0.054 0.000 0.970 720 D CA 0.371 54.339 54.000 -0.055 0.000 0.889 720 D CB -0.564 40.211 40.800 -0.041 0.000 0.912 720 D HN 0.489 nan 8.370 nan 0.000 0.524 721 I N -3.653 116.874 120.570 -0.073 0.000 4.288 721 I HA 0.299 4.469 4.170 0.001 0.000 0.331 721 I C 0.243 176.296 176.117 -0.107 0.000 1.322 721 I CA -0.755 60.502 61.300 -0.072 0.000 1.149 721 I CB 0.262 38.228 38.000 -0.056 0.000 1.112 721 I HN -0.331 nan 8.210 nan 0.000 0.403 722 R N 3.057 123.491 120.500 -0.110 0.000 2.491 722 R HA 0.282 4.623 4.340 0.001 0.000 0.283 722 R C 0.415 176.621 176.300 -0.156 0.000 1.072 722 R CA 0.346 56.373 56.100 -0.123 0.000 1.048 722 R CB 0.680 30.919 30.300 -0.101 0.000 0.983 722 R HN 0.389 nan 8.270 nan 0.000 0.450 723 T N -2.236 112.197 114.554 -0.202 0.000 2.884 723 T HA 0.028 4.379 4.350 0.001 0.000 0.277 723 T C 1.202 175.808 174.700 -0.156 0.000 0.976 723 T CA -0.587 61.382 62.100 -0.219 0.000 0.956 723 T CB 0.970 69.639 68.868 -0.332 0.000 1.113 723 T HN 0.777 nan 8.240 nan 0.000 0.554 724 H N -0.486 118.406 119.070 -0.297 0.000 2.422 724 H HA -0.085 4.472 4.556 0.001 0.000 0.298 724 H C 1.324 176.415 175.328 -0.394 0.000 1.098 724 H CA 1.831 57.648 56.048 -0.384 0.000 1.315 724 H CB -0.562 28.877 29.762 -0.539 0.000 1.382 724 H HN 0.691 nan 8.280 nan 0.000 0.523 725 Y N 0.152 120.398 120.300 -0.091 0.000 2.395 725 Y HA -0.076 4.474 4.550 0.001 0.000 0.293 725 Y C 2.181 178.048 175.900 -0.055 0.000 1.123 725 Y CA 0.829 58.900 58.100 -0.050 0.000 1.227 725 Y CB 0.094 38.661 38.460 0.179 0.000 1.012 725 Y HN 0.328 nan 8.280 nan 0.000 0.552 726 D N 0.156 120.587 120.400 0.052 0.000 2.123 726 D HA -0.092 4.548 4.640 0.001 0.000 0.200 726 D C 2.038 178.309 176.300 -0.049 0.000 0.976 726 D CA 0.879 54.887 54.000 0.015 0.000 0.831 726 D CB -0.181 40.607 40.800 -0.021 0.000 0.974 726 D HN 0.372 nan 8.370 nan 0.000 0.469 727 R N 0.520 120.947 120.500 -0.120 0.000 2.081 727 R HA -0.047 4.294 4.340 0.001 0.000 0.235 727 R C 2.620 178.861 176.300 -0.098 0.000 1.131 727 R CA 0.571 56.596 56.100 -0.124 0.000 0.960 727 R CB -0.397 29.813 30.300 -0.150 0.000 0.856 727 R HN 0.207 nan 8.270 nan 0.000 0.436 728 L N 0.316 121.436 121.223 -0.172 0.000 2.017 728 L HA -0.187 4.154 4.340 0.001 0.000 0.208 728 L C 2.449 179.372 176.870 0.089 0.000 1.073 728 L CA 1.133 55.937 54.840 -0.061 0.000 0.745 728 L CB -0.418 41.523 42.059 -0.196 0.000 0.894 728 L HN 0.048 nan 8.230 nan 0.000 0.432 729 V N -0.113 119.830 119.914 0.049 0.000 2.295 729 V HA -0.321 3.800 4.120 0.001 0.000 0.246 729 V C 2.240 178.402 176.094 0.114 0.000 1.049 729 V CA 2.133 64.495 62.300 0.102 0.000 1.024 729 V CB -0.483 31.405 31.823 0.108 0.000 0.648 729 V HN 0.506 nan 8.190 nan 0.000 0.447 730 D N 0.201 120.628 120.400 0.044 0.000 2.084 730 D HA -0.239 4.401 4.640 0.001 0.000 0.194 730 D C 2.249 178.580 176.300 0.052 0.000 0.990 730 D CA 1.781 55.790 54.000 0.016 0.000 0.826 730 D CB -0.220 40.562 40.800 -0.029 0.000 0.971 730 D HN 0.617 nan 8.370 nan 0.000 0.453 731 E N -1.450 118.785 120.200 0.058 0.000 2.160 731 E HA -0.236 4.115 4.350 0.001 0.000 0.195 731 E C 1.212 177.796 176.600 -0.027 0.000 0.991 731 E CA 0.919 57.326 56.400 0.011 0.000 0.810 731 E CB -0.290 29.406 29.700 -0.006 0.000 0.742 731 E HN 0.428 nan 8.360 nan 0.000 0.466 732 Y N 1.024 121.330 120.300 0.010 0.000 2.466 732 Y HA 0.134 4.685 4.550 0.001 0.000 0.272 732 Y C 1.072 177.003 175.900 0.052 0.000 1.169 732 Y CA 0.269 58.386 58.100 0.028 0.000 1.285 732 Y CB 0.366 38.844 38.460 0.030 0.000 1.078 732 Y HN 0.042 nan 8.280 nan 0.000 0.523 733 S N -0.865 114.940 115.700 0.174 0.000 2.645 733 S HA 0.170 4.640 4.470 0.001 0.000 0.266 733 S C 1.056 175.727 174.600 0.119 0.000 1.258 733 S CA -0.575 57.727 58.200 0.169 0.000 0.990 733 S CB 0.830 64.131 63.200 0.169 0.000 0.967 733 S HN 0.328 nan 8.310 nan 0.000 0.556 734 L N 0.669 121.973 121.223 0.136 0.000 2.291 734 L HA 0.061 4.402 4.340 0.001 0.000 0.214 734 L C 0.520 177.451 176.870 0.102 0.000 1.120 734 L CA 0.549 55.450 54.840 0.102 0.000 0.799 734 L CB -0.662 41.456 42.059 0.098 0.000 0.925 734 L HN 0.791 nan 8.230 nan 0.000 0.446 735 N N 0.099 118.868 118.700 0.115 0.000 2.765 735 N HA 0.261 5.002 4.740 0.001 0.000 0.277 735 N C -0.465 175.085 175.510 0.067 0.000 1.750 735 N CA -0.339 52.772 53.050 0.103 0.000 0.827 735 N CB 0.353 38.925 38.487 0.142 0.000 1.200 735 N HN -0.067 nan 8.380 nan 0.000 0.494 736 A N -0.051 122.796 122.820 0.044 0.000 2.524 736 A HA 0.531 4.852 4.320 0.001 0.000 0.250 736 A C 1.534 179.125 177.584 0.012 0.000 1.078 736 A CA 0.729 52.777 52.037 0.019 0.000 0.761 736 A CB -0.620 18.379 19.000 -0.002 0.000 1.012 736 A HN 1.381 nan 8.150 nan 0.000 0.500 737 G N 1.637 110.437 108.800 -0.000 0.000 2.194 737 G HA2 -0.167 3.793 3.960 0.001 0.000 0.236 737 G HA3 -0.167 3.793 3.960 0.001 0.000 0.236 737 G C 0.219 175.122 174.900 0.006 0.000 0.987 737 G CA 0.475 45.573 45.100 -0.004 0.000 0.635 737 G HN 0.740 nan 8.290 nan 0.000 0.520 738 K N 0.236 120.647 120.400 0.018 0.000 2.281 738 K HA 0.658 4.979 4.320 0.001 0.000 0.242 738 K C 0.760 177.377 176.600 0.029 0.000 0.971 738 K CA -0.688 55.623 56.287 0.039 0.000 0.834 738 K CB 1.042 33.584 32.500 0.070 0.000 1.181 738 K HN 0.236 nan 8.250 nan 0.000 0.435 739 Q N 0.412 120.248 119.800 0.061 0.000 2.475 739 Q HA -0.248 4.093 4.340 0.001 0.000 0.280 739 Q C 0.711 176.719 176.000 0.013 0.000 1.234 739 Q CA 0.615 56.463 55.803 0.074 0.000 0.873 739 Q CB -1.512 27.277 28.738 0.085 0.000 1.256 739 Q HN 0.610 nan 8.270 nan 0.000 0.475 740 R N -0.528 119.982 120.500 0.017 0.000 2.091 740 R HA -0.185 4.156 4.340 0.001 0.000 0.238 740 R C 1.848 178.166 176.300 0.031 0.000 1.136 740 R CA 1.878 57.967 56.100 -0.018 0.000 0.959 740 R CB -0.310 29.972 30.300 -0.030 0.000 0.856 740 R HN 0.411 nan 8.270 nan 0.000 0.437 741 Y N 1.815 122.093 120.300 -0.037 0.000 2.200 741 Y HA -0.197 4.353 4.550 0.001 0.000 0.290 741 Y C 2.355 178.265 175.900 0.016 0.000 1.137 741 Y CA 1.690 59.781 58.100 -0.014 0.000 1.163 741 Y CB -0.314 38.188 38.460 0.069 0.000 0.988 741 Y HN 0.097 nan 8.280 nan 0.000 0.518 742 E N 0.316 120.555 120.200 0.064 0.000 2.085 742 E HA -0.264 4.086 4.350 0.001 0.000 0.194 742 E C 1.863 178.451 176.600 -0.020 0.000 0.994 742 E CA 1.717 58.142 56.400 0.042 0.000 0.801 742 E CB -0.161 29.636 29.700 0.162 0.000 0.743 742 E HN 0.438 nan 8.360 nan 0.000 0.453 743 K N -0.540 119.739 120.400 -0.200 0.000 2.442 743 K HA -0.032 4.288 4.320 0.001 0.000 0.198 743 K C 1.655 178.212 176.600 -0.071 0.000 1.042 743 K CA 0.957 57.012 56.287 -0.386 0.000 0.958 743 K CB 0.089 32.234 32.500 -0.593 0.000 0.766 743 K HN 0.272 nan 8.250 nan 0.000 0.474 744 M N -0.718 118.855 119.600 -0.046 0.000 2.441 744 M HA 0.131 4.612 4.480 0.001 0.000 0.244 744 M C 1.325 177.632 176.300 0.013 0.000 1.122 744 M CA 0.594 55.897 55.300 0.005 0.000 1.041 744 M CB 0.561 33.153 32.600 -0.014 0.000 1.438 744 M HN 0.064 nan 8.290 nan 0.000 0.484 745 I N -1.662 118.898 120.570 -0.015 0.000 3.366 745 I HA 0.062 4.232 4.170 0.001 0.000 0.267 745 I C 1.326 177.497 176.117 0.090 0.000 1.149 745 I CA -0.035 61.288 61.300 0.038 0.000 1.436 745 I CB 0.341 38.291 38.000 -0.083 0.000 1.379 745 I HN 0.109 nan 8.210 nan 0.000 0.460 746 S N 0.739 116.512 115.700 0.122 0.000 2.624 746 S HA 0.240 4.711 4.470 0.001 0.000 0.263 746 S C 1.341 175.987 174.600 0.078 0.000 1.287 746 S CA 0.042 58.301 58.200 0.099 0.000 0.990 746 S CB 1.171 64.463 63.200 0.154 0.000 0.950 746 S HN 0.332 nan 8.310 nan 0.000 0.561 747 G N 0.489 109.283 108.800 -0.010 0.000 2.469 747 G HA2 -0.257 3.704 3.960 0.001 0.000 0.220 747 G HA3 -0.257 3.704 3.960 0.001 0.000 0.220 747 G C 1.288 176.141 174.900 -0.080 0.000 1.136 747 G CA 1.125 46.200 45.100 -0.041 0.000 0.759 747 G HN 0.776 nan 8.290 nan 0.000 0.562 748 M N -1.095 118.383 119.600 -0.202 0.000 2.394 748 M HA 0.113 4.594 4.480 0.001 0.000 0.264 748 M C 1.750 177.729 176.300 -0.534 0.000 1.073 748 M CA 1.278 56.300 55.300 -0.463 0.000 1.111 748 M CB 0.116 32.219 32.600 -0.829 0.000 1.401 748 M HN 0.395 nan 8.290 nan 0.000 0.448 749 Y N -1.601 118.733 120.300 0.057 0.000 2.535 749 Y HA 0.195 4.745 4.550 0.001 0.000 0.264 749 Y C 1.736 177.672 175.900 0.059 0.000 1.087 749 Y CA -0.201 57.936 58.100 0.061 0.000 1.285 749 Y CB 0.015 38.511 38.460 0.060 0.000 1.200 749 Y HN 0.006 nan 8.280 nan 0.000 0.514 750 L N -0.107 121.219 121.223 0.172 0.000 2.042 750 L HA -0.195 4.145 4.340 0.001 0.000 0.210 750 L C 2.614 179.545 176.870 0.100 0.000 1.076 750 L CA 1.646 56.559 54.840 0.121 0.000 0.749 750 L CB -1.130 40.980 42.059 0.084 0.000 0.893 750 L HN 0.401 nan 8.230 nan 0.000 0.432 751 G N -0.346 108.528 108.800 0.123 0.000 2.469 751 G HA2 -0.261 3.699 3.960 0.001 0.000 0.219 751 G HA3 -0.261 3.699 3.960 0.001 0.000 0.219 751 G C 1.467 176.433 174.900 0.110 0.000 1.150 751 G CA 0.568 45.769 45.100 0.168 0.000 0.763 751 G HN 0.304 nan 8.290 nan 0.000 0.561 752 E N 0.287 120.551 120.200 0.106 0.000 2.204 752 E HA -0.017 4.334 4.350 0.001 0.000 0.194 752 E C 2.601 179.229 176.600 0.047 0.000 0.989 752 E CA 0.292 56.741 56.400 0.080 0.000 0.824 752 E CB -0.108 29.660 29.700 0.114 0.000 0.756 752 E HN 0.557 nan 8.360 nan 0.000 0.477 753 I N 0.260 120.866 120.570 0.061 0.000 2.202 753 I HA -0.227 3.944 4.170 0.001 0.000 0.242 753 I C 2.391 178.447 176.117 -0.102 0.000 1.091 753 I CA 0.667 61.999 61.300 0.053 0.000 1.368 753 I CB -0.321 37.740 38.000 0.103 0.000 1.058 753 I HN -0.067 nan 8.210 nan 0.000 0.410 754 V N 0.902 120.715 119.914 -0.168 0.000 2.255 754 V HA -0.318 3.802 4.120 0.001 0.000 0.247 754 V C 2.663 178.510 176.094 -0.411 0.000 1.051 754 V CA 2.049 64.141 62.300 -0.347 0.000 1.018 754 V CB -0.768 30.822 31.823 -0.389 0.000 0.641 754 V HN 0.400 nan 8.190 nan 0.000 0.445 755 R N 0.181 120.483 120.500 -0.330 0.000 2.103 755 R HA -0.208 4.133 4.340 0.001 0.000 0.242 755 R C 2.203 178.421 176.300 -0.137 0.000 1.142 755 R CA 2.069 58.031 56.100 -0.229 0.000 0.960 755 R CB -0.296 29.985 30.300 -0.031 0.000 0.858 755 R HN 0.567 nan 8.270 nan 0.000 0.439 756 N N 0.266 118.918 118.700 -0.081 0.000 2.270 756 N HA -0.113 4.628 4.740 0.001 0.000 0.181 756 N C 1.837 177.343 175.510 -0.007 0.000 1.016 756 N CA 1.233 54.301 53.050 0.031 0.000 0.870 756 N CB -0.040 38.540 38.487 0.154 0.000 0.979 756 N HN 0.321 nan 8.380 nan 0.000 0.431 757 I N 1.136 121.508 120.570 -0.329 0.000 2.252 757 I HA -0.205 3.965 4.170 0.001 0.000 0.245 757 I C 2.129 177.902 176.117 -0.572 0.000 1.102 757 I CA 0.736 61.597 61.300 -0.732 0.000 1.385 757 I CB -0.213 37.198 38.000 -0.982 0.000 1.064 757 I HN 0.026 nan 8.210 nan 0.000 0.414 758 L N 0.453 121.468 121.223 -0.346 0.000 2.017 758 L HA -0.221 4.120 4.340 0.001 0.000 0.208 758 L C 2.579 179.461 176.870 0.019 0.000 1.073 758 L CA 1.542 56.308 54.840 -0.123 0.000 0.745 758 L CB -0.602 41.429 42.059 -0.047 0.000 0.894 758 L HN 0.201 nan 8.230 nan 0.000 0.432 759 I N 0.210 120.786 120.570 0.010 0.000 2.118 759 I HA -0.357 3.813 4.170 0.001 0.000 0.241 759 I C 2.319 178.475 176.117 0.065 0.000 1.070 759 I CA 1.743 63.078 61.300 0.059 0.000 1.327 759 I CB -0.407 37.616 38.000 0.038 0.000 1.034 759 I HN 0.303 nan 8.210 nan 0.000 0.405 760 D N 0.757 121.193 120.400 0.061 0.000 2.104 760 D HA -0.223 4.417 4.640 0.001 0.000 0.194 760 D C 2.170 178.550 176.300 0.133 0.000 0.994 760 D CA 1.702 55.760 54.000 0.098 0.000 0.830 760 D CB -0.214 40.698 40.800 0.186 0.000 0.959 760 D HN 0.358 nan 8.370 nan 0.000 0.452 761 F N -0.188 119.757 119.950 -0.009 0.000 2.186 761 F HA -0.145 4.382 4.527 0.001 0.000 0.299 761 F C 2.525 178.217 175.800 -0.180 0.000 1.090 761 F CA 0.950 58.903 58.000 -0.078 0.000 1.307 761 F CB -0.186 38.862 39.000 0.082 0.000 1.019 761 F HN -0.005 nan 8.300 nan 0.000 0.489 762 T N -0.088 114.548 114.554 0.137 0.000 2.777 762 T HA -0.162 4.189 4.350 0.001 0.000 0.266 762 T C 1.726 176.428 174.700 0.004 0.000 1.040 762 T CA 1.053 63.210 62.100 0.095 0.000 1.141 762 T CB -0.207 68.797 68.868 0.226 0.000 0.868 762 T HN 0.204 nan 8.240 nan 0.000 0.444 763 K N 0.973 121.366 120.400 -0.011 0.000 2.147 763 K HA -0.012 4.309 4.320 0.001 0.000 0.205 763 K C 2.122 178.639 176.600 -0.138 0.000 1.049 763 K CA 0.942 57.203 56.287 -0.044 0.000 0.936 763 K CB -0.029 32.461 32.500 -0.017 0.000 0.722 763 K HN 0.248 nan 8.250 nan 0.000 0.446 764 K N -0.421 119.798 120.400 -0.302 0.000 2.459 764 K HA 0.008 4.328 4.320 0.001 0.000 0.193 764 K C 0.770 177.006 176.600 -0.606 0.000 1.030 764 K CA 0.552 56.496 56.287 -0.571 0.000 1.026 764 K CB 0.487 32.331 32.500 -1.093 0.000 0.809 764 K HN 0.361 nan 8.250 nan 0.000 0.504 765 G N 1.073 109.662 108.800 -0.351 0.000 2.136 765 G HA2 -0.225 3.736 3.960 0.001 0.000 0.242 765 G HA3 -0.225 3.736 3.960 0.001 0.000 0.242 765 G C 0.376 175.288 174.900 0.021 0.000 0.989 765 G CA -0.068 44.959 45.100 -0.121 0.000 0.682 765 G HN 0.241 nan 8.290 nan 0.000 0.522 766 F N -0.258 119.658 119.950 -0.056 0.000 2.743 766 F HA 0.543 5.071 4.527 0.001 0.000 0.297 766 F C 1.393 177.094 175.800 -0.164 0.000 1.131 766 F CA -0.325 57.592 58.000 -0.139 0.000 1.426 766 F CB 0.048 38.879 39.000 -0.282 0.000 1.116 766 F HN 0.178 nan 8.300 nan 0.000 0.583 767 L N -1.514 119.699 121.223 -0.016 0.000 2.424 767 L HA 0.310 4.651 4.340 0.001 0.000 0.258 767 L C -0.488 176.288 176.870 -0.156 0.000 0.995 767 L CA -1.114 53.556 54.840 -0.283 0.000 0.821 767 L CB 2.033 43.735 42.059 -0.596 0.000 1.383 767 L HN -0.219 nan 8.230 nan 0.000 0.410 768 F N 0.831 120.825 119.950 0.073 0.000 3.105 768 F HA -0.287 4.240 4.527 0.001 0.000 0.280 768 F C 1.273 177.097 175.800 0.040 0.000 0.894 768 F CA 1.072 59.105 58.000 0.053 0.000 0.992 768 F CB -1.897 37.135 39.000 0.054 0.000 1.047 768 F HN 0.718 nan 8.300 nan 0.000 0.607 769 R N -2.134 118.458 120.500 0.153 0.000 3.951 769 R HA -0.160 4.181 4.340 0.001 0.000 0.352 769 R C 1.390 177.743 176.300 0.088 0.000 1.178 769 R CA 1.018 57.180 56.100 0.103 0.000 0.949 769 R CB -1.901 28.458 30.300 0.098 0.000 1.452 769 R HN 1.471 nan 8.270 nan 0.000 0.540 770 G N -0.508 108.350 108.800 0.096 0.000 2.159 770 G HA2 -0.321 3.639 3.960 0.001 0.000 0.256 770 G HA3 -0.321 3.639 3.960 0.001 0.000 0.256 770 G C -0.133 174.817 174.900 0.082 0.000 0.977 770 G CA 0.376 45.516 45.100 0.066 0.000 0.652 770 G HN 0.257 nan 8.290 nan 0.000 0.531 771 Q N 0.666 120.537 119.800 0.117 0.000 2.406 771 Q HA 0.348 4.688 4.340 0.001 0.000 0.242 771 Q C 0.757 176.806 176.000 0.080 0.000 1.036 771 Q CA -0.252 55.602 55.803 0.085 0.000 0.904 771 Q CB 0.666 29.447 28.738 0.071 0.000 1.244 771 Q HN 0.481 nan 8.270 nan 0.000 0.478 772 I N 2.826 123.430 120.570 0.058 0.000 2.372 772 I HA -0.018 4.152 4.170 0.001 0.000 0.298 772 I C 0.907 177.026 176.117 0.004 0.000 1.137 772 I CA 0.044 61.370 61.300 0.043 0.000 1.314 772 I CB -0.510 37.516 38.000 0.043 0.000 1.444 772 I HN 0.348 nan 8.210 nan 0.000 0.541 773 S N 5.389 121.069 115.700 -0.033 0.000 2.510 773 S HA 0.087 4.558 4.470 0.001 0.000 0.279 773 S C 1.204 175.780 174.600 -0.040 0.000 1.284 773 S CA -0.587 57.580 58.200 -0.054 0.000 1.059 773 S CB 1.251 64.388 63.200 -0.105 0.000 0.901 773 S HN 0.482 nan 8.310 nan 0.000 0.491 774 E N 2.620 122.803 120.200 -0.030 0.000 2.279 774 E HA -0.222 4.129 4.350 0.001 0.000 0.205 774 E C 2.003 178.582 176.600 -0.035 0.000 1.028 774 E CA 2.043 58.428 56.400 -0.025 0.000 0.830 774 E CB -1.120 28.566 29.700 -0.023 0.000 0.736 774 E HN 1.002 nan 8.360 nan 0.000 0.478 775 T N -1.483 113.038 114.554 -0.055 0.000 3.067 775 T HA -0.006 4.344 4.350 0.001 0.000 0.261 775 T C 1.837 176.511 174.700 -0.043 0.000 1.110 775 T CA 0.316 62.381 62.100 -0.058 0.000 1.113 775 T CB -0.083 68.736 68.868 -0.083 0.000 0.917 775 T HN 0.060 nan 8.240 nan 0.000 0.499 776 L N 0.736 121.935 121.223 -0.039 0.000 2.156 776 L HA 0.300 4.641 4.340 0.001 0.000 0.208 776 L C 2.335 179.214 176.870 0.015 0.000 1.095 776 L CA 1.565 56.407 54.840 0.004 0.000 0.770 776 L CB -0.342 41.715 42.059 -0.004 0.000 0.914 776 L HN 0.143 nan 8.230 nan 0.000 0.439 777 K N -1.228 119.172 120.400 -0.001 0.000 2.504 777 K HA 0.038 4.359 4.320 0.001 0.000 0.195 777 K C 0.070 176.668 176.600 -0.003 0.000 1.036 777 K CA 0.324 56.610 56.287 -0.002 0.000 0.984 777 K CB -0.149 32.351 32.500 -0.000 0.000 0.788 777 K HN 0.226 nan 8.250 nan 0.000 0.488 778 T N 2.994 117.547 114.554 -0.002 0.000 2.794 778 T HA 0.090 4.441 4.350 0.001 0.000 0.304 778 T C -0.188 174.519 174.700 0.010 0.000 0.973 778 T CA -0.569 61.530 62.100 -0.001 0.000 0.972 778 T CB 0.339 69.199 68.868 -0.014 0.000 0.952 778 T HN 0.312 nan 8.240 nan 0.000 0.509 779 R N 2.329 122.837 120.500 0.013 0.000 2.619 779 R HA 0.250 4.591 4.340 0.001 0.000 0.268 779 R C 1.131 177.449 176.300 0.030 0.000 0.990 779 R CA 0.945 57.060 56.100 0.025 0.000 1.092 779 R CB -0.302 30.016 30.300 0.030 0.000 0.935 779 R HN 0.781 nan 8.270 nan 0.000 0.415 780 G N 3.004 111.832 108.800 0.048 0.000 2.258 780 G HA2 -0.264 3.697 3.960 0.001 0.000 0.233 780 G HA3 -0.264 3.697 3.960 0.001 0.000 0.233 780 G C 0.802 175.727 174.900 0.041 0.000 1.006 780 G CA 0.115 45.241 45.100 0.043 0.000 0.620 780 G HN 0.564 nan 8.290 nan 0.000 0.511 781 I N 0.343 120.926 120.570 0.022 0.000 2.423 781 I HA 0.018 4.189 4.170 0.001 0.000 0.254 781 I C 1.602 177.668 176.117 -0.086 0.000 1.151 781 I CA 0.965 62.233 61.300 -0.053 0.000 1.421 781 I CB -0.772 37.193 38.000 -0.058 0.000 1.079 781 I HN 0.227 nan 8.210 nan 0.000 0.431 782 F N 2.319 122.261 119.950 -0.014 0.000 2.833 782 F HA 0.147 4.675 4.527 0.001 0.000 0.327 782 F C 1.102 176.957 175.800 0.092 0.000 1.184 782 F CA -0.519 57.496 58.000 0.025 0.000 1.328 782 F CB -0.648 38.370 39.000 0.031 0.000 1.440 782 F HN 0.075 nan 8.300 nan 0.000 0.569 783 E N -0.378 119.911 120.200 0.147 0.000 2.537 783 E HA -0.115 4.236 4.350 0.001 0.000 0.269 783 E C 1.054 177.803 176.600 0.248 0.000 1.038 783 E CA 0.640 57.176 56.400 0.225 0.000 0.977 783 E CB 0.427 30.334 29.700 0.344 0.000 0.973 783 E HN 0.260 nan 8.360 nan 0.000 0.456 784 T N 1.478 116.123 114.554 0.151 0.000 3.129 784 T HA -0.046 4.305 4.350 0.001 0.000 0.251 784 T C 1.510 176.246 174.700 0.061 0.000 1.117 784 T CA 0.279 62.460 62.100 0.135 0.000 1.034 784 T CB 0.045 68.967 68.868 0.089 0.000 0.968 784 T HN 0.435 nan 8.240 nan 0.000 0.526 785 K N 1.226 121.612 120.400 -0.022 0.000 2.026 785 K HA -0.085 4.235 4.320 0.001 0.000 0.208 785 K C 1.107 177.461 176.600 -0.410 0.000 1.048 785 K CA 1.490 57.610 56.287 -0.278 0.000 0.929 785 K CB -0.302 31.916 32.500 -0.470 0.000 0.713 785 K HN 0.314 nan 8.250 nan 0.000 0.439 786 F N 0.914 120.843 119.950 -0.034 0.000 2.811 786 F HA 0.035 4.562 4.527 0.001 0.000 0.301 786 F C 1.849 177.661 175.800 0.020 0.000 1.151 786 F CA 0.051 58.017 58.000 -0.057 0.000 1.412 786 F CB 0.083 38.977 39.000 -0.177 0.000 1.113 786 F HN 0.071 nan 8.300 nan 0.000 0.579 787 L N -1.176 120.165 121.223 0.197 0.000 2.270 787 L HA -0.040 4.300 4.340 0.001 0.000 0.210 787 L C 2.079 179.052 176.870 0.170 0.000 1.104 787 L CA 1.160 56.148 54.840 0.247 0.000 0.804 787 L CB -0.664 41.555 42.059 0.267 0.000 0.937 787 L HN 0.076 nan 8.230 nan 0.000 0.450 788 S N -0.742 114.991 115.700 0.054 0.000 2.388 788 S HA -0.117 4.354 4.470 0.001 0.000 0.223 788 S C 1.725 176.237 174.600 -0.147 0.000 1.034 788 S CA 0.621 58.740 58.200 -0.135 0.000 0.963 788 S CB 0.257 63.377 63.200 -0.135 0.000 0.827 788 S HN 0.408 nan 8.310 nan 0.000 0.481 789 Q N 0.665 120.417 119.800 -0.080 0.000 2.061 789 Q HA -0.039 4.301 4.340 0.001 0.000 0.204 789 Q C 1.961 177.964 176.000 0.005 0.000 0.984 789 Q CA 1.510 57.283 55.803 -0.050 0.000 0.846 789 Q CB -0.251 28.470 28.738 -0.028 0.000 0.902 789 Q HN 0.510 nan 8.270 nan 0.000 0.421 790 I N 0.292 120.902 120.570 0.067 0.000 2.493 790 I HA -0.202 3.969 4.170 0.001 0.000 0.254 790 I C 1.645 177.805 176.117 0.072 0.000 1.160 790 I CA 0.971 62.330 61.300 0.099 0.000 1.445 790 I CB -0.129 37.979 38.000 0.180 0.000 1.086 790 I HN 0.201 nan 8.210 nan 0.000 0.433 791 E N 0.652 120.874 120.200 0.037 0.000 2.502 791 E HA 0.000 4.351 4.350 0.001 0.000 0.194 791 E C -0.044 176.576 176.600 0.033 0.000 1.062 791 E CA 0.114 56.543 56.400 0.049 0.000 0.867 791 E CB 0.262 29.993 29.700 0.051 0.000 0.888 791 E HN 0.404 nan 8.360 nan 0.000 0.510 792 S N 1.038 116.723 115.700 -0.024 0.000 2.673 792 S HA 0.188 4.659 4.470 0.001 0.000 0.256 792 S C -0.774 173.817 174.600 -0.015 0.000 1.141 792 S CA -1.077 57.106 58.200 -0.028 0.000 1.109 792 S CB 0.959 64.090 63.200 -0.116 0.000 1.101 792 S HN 0.077 nan 8.310 nan 0.000 0.471 793 D N 2.742 123.148 120.400 0.010 0.000 2.668 793 D HA 0.546 5.187 4.640 0.001 0.000 0.249 793 D C 0.201 176.506 176.300 0.008 0.000 1.150 793 D CA -0.909 53.099 54.000 0.013 0.000 1.090 793 D CB 0.920 41.736 40.800 0.027 0.000 1.244 793 D HN 0.478 nan 8.370 nan 0.000 0.636 794 R N -1.188 119.318 120.500 0.011 0.000 2.748 794 R HA 0.412 4.753 4.340 0.001 0.000 0.220 794 R C 0.818 177.123 176.300 0.009 0.000 1.404 794 R CA -0.804 55.300 56.100 0.007 0.000 1.039 794 R CB 0.427 30.731 30.300 0.007 0.000 1.904 794 R HN 0.235 nan 8.270 nan 0.000 0.529 795 L N -0.932 120.294 121.223 0.005 0.000 2.749 795 L HA 0.370 4.710 4.340 0.001 0.000 0.242 795 L C 1.726 178.598 176.870 0.003 0.000 1.103 795 L CA 0.734 55.576 54.840 0.003 0.000 0.906 795 L CB -1.467 40.592 42.059 -0.001 0.000 1.228 795 L HN 0.712 nan 8.230 nan 0.000 0.517 796 A N -0.103 122.719 122.820 0.003 0.000 2.123 796 A HA 0.154 4.475 4.320 0.001 0.000 0.214 796 A C 1.516 179.107 177.584 0.012 0.000 1.152 796 A CA 0.071 52.110 52.037 0.004 0.000 0.728 796 A CB -0.163 18.838 19.000 0.002 0.000 0.814 796 A HN 0.318 nan 8.150 nan 0.000 0.464 797 L N -1.961 119.271 121.223 0.016 0.000 3.976 797 L HA -0.236 4.104 4.340 0.001 0.000 0.418 797 L C 1.359 178.246 176.870 0.029 0.000 1.177 797 L CA 0.353 55.209 54.840 0.026 0.000 0.968 797 L CB -1.693 40.385 42.059 0.033 0.000 1.933 797 L HN 0.440 nan 8.230 nan 0.000 0.976 798 L N 0.193 121.429 121.223 0.020 0.000 2.275 798 L HA -0.173 4.167 4.340 0.001 0.000 0.215 798 L C 2.383 179.266 176.870 0.023 0.000 1.119 798 L CA 2.287 57.138 54.840 0.019 0.000 0.790 798 L CB -0.216 41.849 42.059 0.011 0.000 0.919 798 L HN 0.387 nan 8.230 nan 0.000 0.443 799 Q N -1.053 118.762 119.800 0.025 0.000 2.046 799 Q HA -0.124 4.216 4.340 0.001 0.000 0.200 799 Q C 2.099 178.126 176.000 0.045 0.000 0.975 799 Q CA 2.037 57.858 55.803 0.030 0.000 0.836 799 Q CB -0.308 28.445 28.738 0.025 0.000 0.896 799 Q HN 0.333 nan 8.270 nan 0.000 0.428 800 V N 1.062 121.008 119.914 0.054 0.000 2.720 800 V HA -0.190 3.931 4.120 0.001 0.000 0.256 800 V C 2.379 178.518 176.094 0.075 0.000 1.082 800 V CA 1.880 64.227 62.300 0.077 0.000 1.101 800 V CB -0.675 31.201 31.823 0.087 0.000 0.693 800 V HN 0.368 nan 8.190 nan 0.000 0.479 801 R N 0.604 121.138 120.500 0.057 0.000 2.062 801 R HA -0.080 4.261 4.340 0.001 0.000 0.229 801 R C 2.298 178.611 176.300 0.021 0.000 1.128 801 R CA 1.532 57.661 56.100 0.048 0.000 0.960 801 R CB -0.372 29.950 30.300 0.038 0.000 0.855 801 R HN 0.438 nan 8.270 nan 0.000 0.432 802 A N 0.969 123.798 122.820 0.015 0.000 1.969 802 A HA -0.071 4.250 4.320 0.001 0.000 0.218 802 A C 2.106 179.676 177.584 -0.023 0.000 1.169 802 A CA 1.000 53.036 52.037 -0.002 0.000 0.635 802 A CB -0.380 18.626 19.000 0.009 0.000 0.810 802 A HN 0.352 nan 8.150 nan 0.000 0.445 803 I N -0.441 120.127 120.570 -0.004 0.000 2.113 803 I HA -0.265 3.905 4.170 0.001 0.000 0.238 803 I C 2.337 178.364 176.117 -0.149 0.000 1.070 803 I CA 1.364 62.633 61.300 -0.053 0.000 1.332 803 I CB -0.308 37.706 38.000 0.023 0.000 1.044 803 I HN 0.271 nan 8.210 nan 0.000 0.402 804 L N -0.195 120.988 121.223 -0.068 0.000 2.131 804 L HA -0.230 4.110 4.340 0.001 0.000 0.210 804 L C 2.570 179.373 176.870 -0.112 0.000 1.092 804 L CA 1.235 56.033 54.840 -0.071 0.000 0.759 804 L CB -0.475 41.632 42.059 0.080 0.000 0.903 804 L HN 0.364 nan 8.230 nan 0.000 0.435 805 Q N -0.476 119.276 119.800 -0.080 0.000 2.089 805 Q HA -0.183 4.157 4.340 0.001 0.000 0.195 805 Q C 2.244 178.179 176.000 -0.107 0.000 0.963 805 Q CA 1.015 56.768 55.803 -0.083 0.000 0.834 805 Q CB 0.119 28.831 28.738 -0.043 0.000 0.906 805 Q HN 0.486 nan 8.270 nan 0.000 0.452 806 Q N 0.365 120.097 119.800 -0.114 0.000 2.047 806 Q HA -0.251 4.089 4.340 0.001 0.000 0.211 806 Q C 2.200 178.098 176.000 -0.171 0.000 1.005 806 Q CA 2.309 58.035 55.803 -0.129 0.000 0.866 806 Q CB -0.439 28.213 28.738 -0.143 0.000 0.938 806 Q HN 0.389 nan 8.270 nan 0.000 0.414 807 L N -2.113 118.964 121.223 -0.244 0.000 1.944 807 L HA -0.110 4.230 4.340 0.001 0.000 0.218 807 L C 1.714 178.476 176.870 -0.180 0.000 1.075 807 L CA 1.412 56.098 54.840 -0.257 0.000 0.767 807 L CB -0.577 41.291 42.059 -0.319 0.000 0.890 807 L HN 0.490 nan 8.230 nan 0.000 0.434 808 G N -1.835 106.859 108.800 -0.176 0.000 4.470 808 G HA2 0.174 4.134 3.960 0.001 0.000 0.220 808 G HA3 0.174 4.134 3.960 0.001 0.000 0.220 808 G C -0.134 174.662 174.900 -0.173 0.000 0.780 808 G CA -0.560 44.452 45.100 -0.148 0.000 0.977 808 G HN 0.068 nan 8.290 nan 0.000 0.749 809 L N 0.036 121.115 121.223 -0.239 0.000 2.492 809 L HA 0.611 4.952 4.340 0.001 0.000 0.263 809 L C 0.279 177.042 176.870 -0.178 0.000 1.062 809 L CA -1.065 53.578 54.840 -0.328 0.000 0.817 809 L CB 1.511 43.090 42.059 -0.800 0.000 1.441 809 L HN 0.101 nan 8.230 nan 0.000 0.493 810 N N -0.648 117.989 118.700 -0.106 0.000 2.577 810 N HA 0.279 5.020 4.740 0.001 0.000 0.275 810 N C -1.388 174.222 175.510 0.168 0.000 1.091 810 N CA -0.207 52.861 53.050 0.029 0.000 0.843 810 N CB 1.110 39.609 38.487 0.021 0.000 1.295 810 N HN 0.504 nan 8.380 nan 0.000 0.530 811 S N 0.869 116.680 115.700 0.186 0.000 2.632 811 S HA 0.360 4.831 4.470 0.001 0.000 0.267 811 S C 0.203 174.883 174.600 0.133 0.000 1.276 811 S CA -0.177 58.168 58.200 0.242 0.000 0.998 811 S CB 1.561 64.895 63.200 0.223 0.000 0.953 811 S HN 0.418 nan 8.310 nan 0.000 0.547 812 T N 0.412 115.037 114.554 0.118 0.000 2.949 812 T HA 0.216 4.566 4.350 0.001 0.000 0.287 812 T C 1.446 176.178 174.700 0.053 0.000 1.034 812 T CA -0.700 61.440 62.100 0.066 0.000 1.018 812 T CB 1.065 69.963 68.868 0.050 0.000 1.135 812 T HN 0.891 nan 8.240 nan 0.000 0.532 813 C N 0.210 119.529 119.300 0.032 0.000 2.432 813 C HA -0.023 4.438 4.460 0.001 0.000 0.280 813 C C 1.905 176.904 174.990 0.016 0.000 1.353 813 C CA 0.662 59.695 59.018 0.025 0.000 1.766 813 C CB -1.017 26.732 27.740 0.014 0.000 1.924 813 C HN 0.779 nan 8.230 nan 0.000 0.509 814 D N 1.432 121.837 120.400 0.009 0.000 2.117 814 D HA -0.092 4.548 4.640 0.001 0.000 0.197 814 D C 1.725 178.010 176.300 -0.025 0.000 0.987 814 D CA 1.633 55.629 54.000 -0.007 0.000 0.829 814 D CB -0.404 40.394 40.800 -0.004 0.000 0.961 814 D HN 0.555 nan 8.370 nan 0.000 0.460 815 D N 0.285 120.671 120.400 -0.023 0.000 2.120 815 D HA -0.119 4.521 4.640 0.001 0.000 0.191 815 D C 2.202 178.495 176.300 -0.012 0.000 0.994 815 D CA 1.205 55.162 54.000 -0.071 0.000 0.838 815 D CB -0.576 40.212 40.800 -0.020 0.000 0.976 815 D HN 0.030 nan 8.370 nan 0.000 0.447 816 S N 0.708 116.444 115.700 0.061 0.000 2.378 816 S HA -0.222 4.249 4.470 0.001 0.000 0.229 816 S C 2.257 176.889 174.600 0.054 0.000 1.052 816 S CA 1.017 59.269 58.200 0.087 0.000 1.084 816 S CB -0.569 62.679 63.200 0.080 0.000 0.950 816 S HN 0.272 nan 8.310 nan 0.000 0.440 817 I N 0.949 121.533 120.570 0.022 0.000 2.091 817 I HA -0.263 3.907 4.170 0.001 0.000 0.240 817 I C 2.414 178.527 176.117 -0.007 0.000 1.046 817 I CA 1.253 62.554 61.300 0.002 0.000 1.306 817 I CB -0.520 37.468 38.000 -0.020 0.000 1.018 817 I HN 0.216 nan 8.210 nan 0.000 0.404 818 L N 0.539 121.746 121.223 -0.027 0.000 1.990 818 L HA -0.214 4.126 4.340 0.001 0.000 0.213 818 L C 2.480 179.362 176.870 0.020 0.000 1.072 818 L CA 1.815 56.640 54.840 -0.025 0.000 0.755 818 L CB -0.663 41.365 42.059 -0.051 0.000 0.889 818 L HN 0.035 nan 8.230 nan 0.000 0.432 819 V N 0.065 119.999 119.914 0.035 0.000 2.282 819 V HA -0.390 3.731 4.120 0.001 0.000 0.249 819 V C 2.638 178.776 176.094 0.073 0.000 1.057 819 V CA 2.354 64.701 62.300 0.079 0.000 1.032 819 V CB -0.835 31.104 31.823 0.194 0.000 0.645 819 V HN 0.633 nan 8.190 nan 0.000 0.447 820 K N -0.179 120.266 120.400 0.074 0.000 2.057 820 K HA -0.194 4.127 4.320 0.001 0.000 0.207 820 K C 2.060 178.681 176.600 0.035 0.000 1.049 820 K CA 2.119 58.448 56.287 0.069 0.000 0.931 820 K CB -0.471 32.067 32.500 0.062 0.000 0.714 820 K HN 0.480 nan 8.250 nan 0.000 0.440 821 T N 0.650 115.209 114.554 0.009 0.000 2.746 821 T HA -0.112 4.238 4.350 0.001 0.000 0.267 821 T C 1.866 176.547 174.700 -0.033 0.000 1.039 821 T CA 1.464 63.555 62.100 -0.015 0.000 1.142 821 T CB -0.203 68.647 68.868 -0.030 0.000 0.866 821 T HN 0.039 nan 8.240 nan 0.000 0.444 822 V N 0.987 120.878 119.914 -0.038 0.000 2.295 822 V HA -0.219 3.901 4.120 0.001 0.000 0.246 822 V C 2.866 178.871 176.094 -0.148 0.000 1.049 822 V CA 1.434 63.658 62.300 -0.127 0.000 1.024 822 V CB -0.841 30.887 31.823 -0.158 0.000 0.648 822 V HN 0.611 nan 8.190 nan 0.000 0.447 823 C N 0.757 120.020 119.300 -0.062 0.000 2.398 823 C HA -0.158 4.302 4.460 0.001 0.000 0.276 823 C C 2.937 177.944 174.990 0.028 0.000 1.222 823 C CA 1.049 60.070 59.018 0.005 0.000 1.746 823 C CB -1.750 26.060 27.740 0.116 0.000 2.039 823 C HN 0.702 nan 8.230 nan 0.000 0.470 824 G N -0.023 108.799 108.800 0.035 0.000 2.422 824 G HA2 -0.145 3.816 3.960 0.001 0.000 0.218 824 G HA3 -0.145 3.816 3.960 0.001 0.000 0.218 824 G C 1.649 176.541 174.900 -0.014 0.000 1.146 824 G CA 1.259 46.385 45.100 0.044 0.000 0.769 824 G HN 0.419 nan 8.290 nan 0.000 0.547 825 V N 0.468 120.339 119.914 -0.072 0.000 2.343 825 V HA -0.164 3.956 4.120 0.001 0.000 0.247 825 V C 3.001 179.027 176.094 -0.114 0.000 1.051 825 V CA 1.498 63.739 62.300 -0.098 0.000 1.036 825 V CB -0.332 31.383 31.823 -0.181 0.000 0.654 825 V HN 0.255 nan 8.190 nan 0.000 0.451 826 V N 0.914 120.719 119.914 -0.182 0.000 2.307 826 V HA -0.197 3.923 4.120 0.001 0.000 0.245 826 V C 2.690 178.776 176.094 -0.013 0.000 1.045 826 V CA 2.231 64.458 62.300 -0.122 0.000 1.024 826 V CB -0.724 31.000 31.823 -0.164 0.000 0.651 826 V HN 0.756 nan 8.190 nan 0.000 0.449 827 S N 0.799 116.491 115.700 -0.013 0.000 2.402 827 S HA -0.239 4.231 4.470 0.001 0.000 0.229 827 S C 2.073 176.648 174.600 -0.041 0.000 1.021 827 S CA 1.471 59.652 58.200 -0.032 0.000 0.974 827 S CB -0.507 62.598 63.200 -0.159 0.000 0.800 827 S HN 0.610 nan 8.310 nan 0.000 0.484 828 R N 1.532 122.011 120.500 -0.035 0.000 2.075 828 R HA 0.047 4.387 4.340 0.001 0.000 0.232 828 R C 2.674 178.923 176.300 -0.085 0.000 1.126 828 R CA 1.128 57.183 56.100 -0.074 0.000 0.963 828 R CB -0.331 29.937 30.300 -0.052 0.000 0.858 828 R HN 0.463 nan 8.270 nan 0.000 0.435 829 R N 0.165 120.656 120.500 -0.016 0.000 2.081 829 R HA -0.094 4.247 4.340 0.001 0.000 0.235 829 R C 2.145 178.436 176.300 -0.014 0.000 1.131 829 R CA 1.434 57.542 56.100 0.013 0.000 0.960 829 R CB -0.322 30.059 30.300 0.134 0.000 0.856 829 R HN 0.341 nan 8.270 nan 0.000 0.436 830 A N 0.904 123.732 122.820 0.014 0.000 1.865 830 A HA -0.171 4.149 4.320 0.001 0.000 0.217 830 A C 2.369 179.916 177.584 -0.060 0.000 1.191 830 A CA 1.956 54.031 52.037 0.064 0.000 0.623 830 A CB -0.914 18.217 19.000 0.218 0.000 0.826 830 A HN 0.536 nan 8.150 nan 0.000 0.444 831 A N -1.005 121.560 122.820 -0.425 0.000 1.972 831 A HA -0.187 4.133 4.320 0.001 0.000 0.219 831 A C 2.106 179.423 177.584 -0.445 0.000 1.169 831 A CA 1.620 53.042 52.037 -1.025 0.000 0.635 831 A CB -0.516 17.709 19.000 -1.293 0.000 0.810 831 A HN 0.687 nan 8.150 nan 0.000 0.446 832 Q N -0.579 119.073 119.800 -0.246 0.000 2.172 832 Q HA 0.008 4.348 4.340 0.001 0.000 0.200 832 Q C 2.036 177.995 176.000 -0.068 0.000 0.964 832 Q CA 0.979 56.698 55.803 -0.140 0.000 0.855 832 Q CB -0.231 28.441 28.738 -0.110 0.000 0.918 832 Q HN 0.655 nan 8.270 nan 0.000 0.444 833 L N -0.124 121.070 121.223 -0.048 0.000 2.005 833 L HA -0.234 4.107 4.340 0.001 0.000 0.207 833 L C 2.717 179.612 176.870 0.041 0.000 1.072 833 L CA 0.864 55.725 54.840 0.035 0.000 0.744 833 L CB -0.543 41.524 42.059 0.013 0.000 0.895 833 L HN 0.436 nan 8.230 nan 0.000 0.433 834 C N 0.405 119.684 119.300 -0.036 0.000 2.398 834 C HA -0.175 4.286 4.460 0.001 0.000 0.276 834 C C 2.892 177.955 174.990 0.122 0.000 1.222 834 C CA 1.143 60.199 59.018 0.064 0.000 1.746 834 C CB -1.306 26.583 27.740 0.248 0.000 2.039 834 C HN 0.687 nan 8.230 nan 0.000 0.470 835 G N -0.176 108.648 108.800 0.040 0.000 2.440 835 G HA2 -0.103 3.858 3.960 0.001 0.000 0.218 835 G HA3 -0.103 3.858 3.960 0.001 0.000 0.218 835 G C 1.950 176.903 174.900 0.088 0.000 1.154 835 G CA 1.198 46.341 45.100 0.070 0.000 0.767 835 G HN 0.798 nan 8.290 nan 0.000 0.552 836 A N 0.567 123.416 122.820 0.049 0.000 1.969 836 A HA 0.246 4.567 4.320 0.001 0.000 0.218 836 A C 2.637 180.217 177.584 -0.006 0.000 1.169 836 A CA 1.918 53.973 52.037 0.030 0.000 0.635 836 A CB -0.747 18.274 19.000 0.035 0.000 0.810 836 A HN 0.494 nan 8.150 nan 0.000 0.445 837 G N -0.777 107.995 108.800 -0.047 0.000 2.394 837 G HA2 -0.118 3.842 3.960 0.001 0.000 0.214 837 G HA3 -0.118 3.842 3.960 0.001 0.000 0.214 837 G C 1.489 176.476 174.900 0.146 0.000 1.176 837 G CA 1.272 46.243 45.100 -0.216 0.000 0.786 837 G HN 0.423 nan 8.290 nan 0.000 0.533 838 M N 1.757 121.550 119.600 0.321 0.000 2.213 838 M HA 0.203 4.683 4.480 0.001 0.000 0.263 838 M C 2.543 178.964 176.300 0.201 0.000 1.062 838 M CA 1.399 56.936 55.300 0.395 0.000 1.105 838 M CB -0.377 32.519 32.600 0.493 0.000 1.385 838 M HN 0.215 nan 8.290 nan 0.000 0.417 839 A N -0.418 122.484 122.820 0.136 0.000 1.972 839 A HA 0.085 4.406 4.320 0.001 0.000 0.219 839 A C 2.337 179.934 177.584 0.021 0.000 1.169 839 A CA 1.791 53.873 52.037 0.076 0.000 0.635 839 A CB -1.247 17.788 19.000 0.058 0.000 0.810 839 A HN 0.624 nan 8.150 nan 0.000 0.446 840 A N -0.516 122.302 122.820 -0.003 0.000 1.873 840 A HA 0.052 4.373 4.320 0.001 0.000 0.215 840 A C 2.218 179.746 177.584 -0.092 0.000 1.186 840 A CA 1.639 53.643 52.037 -0.055 0.000 0.616 840 A CB -0.890 18.049 19.000 -0.101 0.000 0.823 840 A HN 0.349 nan 8.150 nan 0.000 0.442 841 V N 0.504 120.367 119.914 -0.086 0.000 2.261 841 V HA -0.266 3.855 4.120 0.001 0.000 0.246 841 V C 2.768 178.739 176.094 -0.205 0.000 1.047 841 V CA 2.178 64.334 62.300 -0.241 0.000 1.015 841 V CB -1.142 30.572 31.823 -0.183 0.000 0.642 841 V HN 0.588 nan 8.190 nan 0.000 0.446 842 V N -1.779 118.083 119.914 -0.087 0.000 2.490 842 V HA -0.199 3.922 4.120 0.001 0.000 0.250 842 V C 2.078 178.136 176.094 -0.059 0.000 1.061 842 V CA 2.358 64.617 62.300 -0.068 0.000 1.064 842 V CB -0.833 30.967 31.823 -0.038 0.000 0.670 842 V HN 0.439 nan 8.190 nan 0.000 0.461 843 D N 0.296 120.666 120.400 -0.050 0.000 2.224 843 D HA -0.074 4.566 4.640 0.001 0.000 0.205 843 D C 2.123 178.393 176.300 -0.050 0.000 0.965 843 D CA 1.253 55.230 54.000 -0.038 0.000 0.852 843 D CB -0.071 40.713 40.800 -0.026 0.000 0.947 843 D HN 0.590 nan 8.370 nan 0.000 0.494 844 K N 0.373 120.723 120.400 -0.084 0.000 2.057 844 K HA -0.062 4.258 4.320 0.001 0.000 0.206 844 K C 2.140 178.710 176.600 -0.051 0.000 1.050 844 K CA 0.658 56.898 56.287 -0.079 0.000 0.935 844 K CB -0.037 32.386 32.500 -0.129 0.000 0.715 844 K HN 0.084 nan 8.250 nan 0.000 0.439 845 I N 0.738 121.270 120.570 -0.064 0.000 2.226 845 I HA -0.275 3.896 4.170 0.001 0.000 0.245 845 I C 2.795 178.906 176.117 -0.009 0.000 1.100 845 I CA 1.087 62.379 61.300 -0.012 0.000 1.374 845 I CB -0.253 37.744 38.000 -0.005 0.000 1.057 845 I HN 0.230 nan 8.210 nan 0.000 0.413 846 R N 1.167 121.654 120.500 -0.022 0.000 2.070 846 R HA -0.202 4.138 4.340 0.001 0.000 0.232 846 R C 2.214 178.508 176.300 -0.011 0.000 1.138 846 R CA 1.952 58.042 56.100 -0.016 0.000 0.936 846 R CB -0.188 30.101 30.300 -0.018 0.000 0.839 846 R HN 0.362 nan 8.270 nan 0.000 0.429 847 E N 0.079 120.271 120.200 -0.013 0.000 2.058 847 E HA -0.202 4.148 4.350 0.001 0.000 0.194 847 E C 1.862 178.459 176.600 -0.004 0.000 0.997 847 E CA 1.651 58.045 56.400 -0.009 0.000 0.801 847 E CB -0.253 29.440 29.700 -0.012 0.000 0.746 847 E HN 0.531 nan 8.360 nan 0.000 0.450 848 N N 0.450 119.149 118.700 -0.001 0.000 2.289 848 N HA -0.125 4.616 4.740 0.001 0.000 0.184 848 N C 1.321 176.834 175.510 0.005 0.000 1.016 848 N CA 0.504 53.558 53.050 0.006 0.000 0.872 848 N CB 0.027 38.526 38.487 0.020 0.000 0.973 848 N HN 0.053 nan 8.380 nan 0.000 0.433 849 R N 0.288 120.790 120.500 0.003 0.000 2.356 849 R HA 0.116 4.456 4.340 0.001 0.000 0.234 849 R C 0.706 177.005 176.300 -0.002 0.000 0.929 849 R CA 0.149 56.249 56.100 0.000 0.000 1.084 849 R CB 0.424 30.724 30.300 -0.000 0.000 1.105 849 R HN 0.117 nan 8.270 nan 0.000 0.515 850 G N 1.906 110.705 108.800 -0.002 0.000 2.249 850 G HA2 -0.277 3.684 3.960 0.001 0.000 0.273 850 G HA3 -0.277 3.684 3.960 0.001 0.000 0.273 850 G C -0.001 174.897 174.900 -0.004 0.000 1.036 850 G CA 0.186 45.284 45.100 -0.003 0.000 0.824 850 G HN 0.201 nan 8.290 nan 0.000 0.504 851 L N -0.853 120.367 121.223 -0.005 0.000 2.344 851 L HA 0.499 4.839 4.340 0.001 0.000 0.272 851 L C 0.944 177.810 176.870 -0.006 0.000 1.035 851 L CA -1.201 53.635 54.840 -0.006 0.000 0.807 851 L CB 0.951 43.006 42.059 -0.008 0.000 1.237 851 L HN -0.097 nan 8.230 nan 0.000 0.442 852 D N 0.213 120.610 120.400 -0.005 0.000 2.162 852 D HA 0.039 4.680 4.640 0.001 0.000 0.203 852 D C 0.583 176.880 176.300 -0.005 0.000 0.967 852 D CA 1.185 55.182 54.000 -0.004 0.000 0.840 852 D CB 0.406 41.204 40.800 -0.004 0.000 0.972 852 D HN 0.290 nan 8.370 nan 0.000 0.482 853 R N -0.235 120.260 120.500 -0.007 0.000 2.808 853 R HA 0.573 4.913 4.340 0.001 0.000 0.272 853 R C -1.241 175.052 176.300 -0.012 0.000 0.995 853 R CA -0.903 55.193 56.100 -0.008 0.000 0.917 853 R CB 2.108 32.404 30.300 -0.007 0.000 1.217 853 R HN -0.002 nan 8.270 nan 0.000 0.471 854 L N 1.419 122.633 121.223 -0.016 0.000 2.438 854 L HA 0.494 4.834 4.340 0.001 0.000 0.270 854 L C -1.430 175.422 176.870 -0.030 0.000 0.972 854 L CA -0.330 54.496 54.840 -0.023 0.000 0.831 854 L CB 1.947 43.991 42.059 -0.025 0.000 1.273 854 L HN 0.427 nan 8.230 nan 0.000 0.405 855 N N 4.438 123.117 118.700 -0.034 0.000 2.469 855 N HA 0.543 5.283 4.740 0.001 0.000 0.253 855 N C -1.424 174.052 175.510 -0.057 0.000 0.970 855 N CA -0.183 52.841 53.050 -0.043 0.000 0.940 855 N CB 2.487 40.953 38.487 -0.035 0.000 1.128 855 N HN 0.439 nan 8.380 nan 0.000 0.503 856 V N 1.847 121.711 119.914 -0.084 0.000 2.888 856 V HA 0.486 4.607 4.120 0.001 0.000 0.309 856 V C -0.574 175.426 176.094 -0.158 0.000 1.114 856 V CA -0.326 61.913 62.300 -0.101 0.000 0.940 856 V CB 2.325 34.092 31.823 -0.093 0.000 1.021 856 V HN 0.579 nan 8.190 nan 0.000 0.426 857 T N 5.260 119.728 114.554 -0.143 0.000 2.867 857 T HA 0.627 4.978 4.350 0.001 0.000 0.282 857 T C -0.652 173.925 174.700 -0.205 0.000 1.000 857 T CA -0.288 61.703 62.100 -0.182 0.000 1.042 857 T CB 1.537 70.340 68.868 -0.107 0.000 0.973 857 T HN 0.556 nan 8.240 nan 0.000 0.465 858 V N 2.590 122.325 119.914 -0.300 0.000 2.384 858 V HA 0.602 4.723 4.120 0.001 0.000 0.287 858 V C 0.764 176.808 176.094 -0.083 0.000 1.020 858 V CA -0.851 61.319 62.300 -0.218 0.000 0.850 858 V CB 1.547 33.163 31.823 -0.346 0.000 0.987 858 V HN 1.040 nan 8.190 nan 0.000 0.436 859 G N 4.096 112.868 108.800 -0.047 0.000 2.370 859 G HA2 0.555 4.516 3.960 0.001 0.000 0.272 859 G HA3 0.555 4.516 3.960 0.001 0.000 0.272 859 G C -0.675 174.204 174.900 -0.035 0.000 1.208 859 G CA -0.165 44.921 45.100 -0.024 0.000 0.856 859 G HN 0.596 nan 8.290 nan 0.000 0.500 860 V N 2.057 121.939 119.914 -0.053 0.000 2.914 860 V HA 0.734 4.854 4.120 0.001 0.000 0.314 860 V C -0.649 175.332 176.094 -0.188 0.000 1.084 860 V CA -0.862 61.329 62.300 -0.182 0.000 0.963 860 V CB 2.221 33.766 31.823 -0.463 0.000 1.025 860 V HN 0.772 nan 8.190 nan 0.000 0.432 861 D N -0.290 119.983 120.400 -0.211 0.000 2.692 861 D HA 0.705 5.346 4.640 0.001 0.000 0.303 861 D C -0.468 175.783 176.300 -0.082 0.000 1.278 861 D CA 0.847 54.785 54.000 -0.104 0.000 0.852 861 D CB 2.240 43.006 40.800 -0.057 0.000 1.375 861 D HN 1.230 nan 8.370 nan 0.000 0.453 862 G N -0.727 108.062 108.800 -0.018 0.000 2.528 862 G HA2 0.021 3.982 3.960 0.001 0.000 0.681 862 G HA3 0.021 3.982 3.960 0.001 0.000 0.681 862 G C 0.460 175.374 174.900 0.024 0.000 1.340 862 G CA 0.201 45.295 45.100 -0.010 0.000 0.855 862 G HN 0.369 nan 8.290 nan 0.000 0.649 863 T N 1.436 115.987 114.554 -0.005 0.000 2.812 863 T HA -0.085 4.265 4.350 0.001 0.000 0.264 863 T C 2.614 177.301 174.700 -0.023 0.000 1.042 863 T CA 1.834 63.929 62.100 -0.008 0.000 1.140 863 T CB -0.168 68.688 68.868 -0.022 0.000 0.870 863 T HN 0.803 nan 8.240 nan 0.000 0.445 864 L N 0.446 121.631 121.223 -0.063 0.000 2.046 864 L HA -0.024 4.317 4.340 0.001 0.000 0.208 864 L C 2.149 178.931 176.870 -0.147 0.000 1.077 864 L CA 1.649 56.418 54.840 -0.118 0.000 0.747 864 L CB -0.821 41.108 42.059 -0.217 0.000 0.896 864 L HN 0.303 nan 8.230 nan 0.000 0.432 865 Y N 0.228 120.362 120.300 -0.275 0.000 2.145 865 Y HA -0.255 4.296 4.550 0.001 0.000 0.286 865 Y C 2.522 178.396 175.900 -0.043 0.000 1.145 865 Y CA 2.158 60.138 58.100 -0.201 0.000 1.148 865 Y CB -0.066 38.324 38.460 -0.117 0.000 0.981 865 Y HN 0.158 nan 8.280 nan 0.000 0.507 866 K N -0.152 120.341 120.400 0.155 0.000 2.025 866 K HA -0.121 4.199 4.320 0.001 0.000 0.207 866 K C 1.848 178.440 176.600 -0.015 0.000 1.049 866 K CA 1.913 58.254 56.287 0.089 0.000 0.933 866 K CB -0.215 32.335 32.500 0.083 0.000 0.714 866 K HN 0.372 nan 8.250 nan 0.000 0.438 867 L N -0.559 120.650 121.223 -0.023 0.000 2.307 867 L HA 0.043 4.383 4.340 0.001 0.000 0.211 867 L C 1.390 178.220 176.870 -0.068 0.000 1.099 867 L CA -0.052 54.757 54.840 -0.053 0.000 0.816 867 L CB -0.441 41.581 42.059 -0.062 0.000 0.952 867 L HN 0.250 nan 8.230 nan 0.000 0.455 868 H N 3.493 122.492 119.070 -0.119 0.000 2.886 868 H HA 0.030 4.586 4.556 0.001 0.000 0.329 868 H C -1.452 173.779 175.328 -0.162 0.000 1.044 868 H CA -1.043 54.942 56.048 -0.104 0.000 1.456 868 H CB 1.642 31.383 29.762 -0.034 0.000 1.464 868 H HN -0.055 nan 8.280 nan 0.000 0.573 869 P HA -0.135 nan 4.420 nan 0.000 0.218 869 P C 0.535 177.523 177.300 -0.521 0.000 1.149 869 P CA 1.442 64.183 63.100 -0.598 0.000 0.817 869 P CB 0.563 31.714 31.700 -0.915 0.000 0.785 870 H N -3.327 115.819 119.070 0.126 0.000 3.046 870 H HA 0.190 4.746 4.556 0.001 0.000 0.262 870 H C 1.781 177.176 175.328 0.112 0.000 1.044 870 H CA -0.457 55.663 56.048 0.121 0.000 1.209 870 H CB -0.528 29.299 29.762 0.108 0.000 1.507 870 H HN 0.061 nan 8.280 nan 0.000 0.507 871 F N 3.202 123.273 119.950 0.202 0.000 2.043 871 F HA -0.323 4.204 4.527 0.001 0.000 0.297 871 F C 2.679 178.329 175.800 -0.251 0.000 1.121 871 F CA 2.230 60.169 58.000 -0.101 0.000 1.199 871 F CB 0.033 38.916 39.000 -0.196 0.000 0.968 871 F HN 0.141 nan 8.300 nan 0.000 0.478 872 S N 0.401 116.019 115.700 -0.137 0.000 2.356 872 S HA -0.288 4.183 4.470 0.001 0.000 0.223 872 S C 2.207 176.282 174.600 -0.875 0.000 1.032 872 S CA 1.251 59.082 58.200 -0.615 0.000 1.005 872 S CB -0.931 61.731 63.200 -0.896 0.000 0.867 872 S HN 0.552 nan 8.310 nan 0.000 0.449 873 R N 1.136 121.362 120.500 -0.456 0.000 2.083 873 R HA -0.041 4.299 4.340 0.001 0.000 0.237 873 R C 2.358 178.512 176.300 -0.243 0.000 1.137 873 R CA 1.944 57.873 56.100 -0.286 0.000 0.951 873 R CB -0.547 29.709 30.300 -0.075 0.000 0.851 873 R HN 0.540 nan 8.270 nan 0.000 0.434 874 I N 0.505 120.938 120.570 -0.228 0.000 2.226 874 I HA -0.305 3.865 4.170 0.001 0.000 0.245 874 I C 2.734 178.691 176.117 -0.267 0.000 1.100 874 I CA 1.058 62.231 61.300 -0.210 0.000 1.374 874 I CB -0.260 37.612 38.000 -0.213 0.000 1.057 874 I HN 0.370 nan 8.210 nan 0.000 0.413 875 M N 0.452 119.792 119.600 -0.434 0.000 2.175 875 M HA -0.214 4.266 4.480 0.001 0.000 0.264 875 M C 2.271 178.478 176.300 -0.155 0.000 1.063 875 M CA 2.120 57.201 55.300 -0.365 0.000 1.119 875 M CB -0.802 31.517 32.600 -0.468 0.000 1.377 875 M HN 0.349 nan 8.290 nan 0.000 0.415 876 H N -1.181 117.781 119.070 -0.180 0.000 2.389 876 H HA -0.138 4.419 4.556 0.001 0.000 0.299 876 H C 2.146 177.499 175.328 0.041 0.000 1.081 876 H CA 1.338 57.363 56.048 -0.039 0.000 1.345 876 H CB -0.062 29.726 29.762 0.042 0.000 1.393 876 H HN 0.516 nan 8.280 nan 0.000 0.520 877 Q N 0.544 120.402 119.800 0.096 0.000 2.084 877 Q HA -0.149 4.191 4.340 0.001 0.000 0.202 877 Q C 1.971 178.000 176.000 0.048 0.000 0.978 877 Q CA 2.014 57.855 55.803 0.063 0.000 0.844 877 Q CB 0.146 28.893 28.738 0.016 0.000 0.898 877 Q HN 0.435 nan 8.270 nan 0.000 0.426 878 T N 0.098 114.659 114.554 0.011 0.000 2.684 878 T HA -0.144 4.206 4.350 0.001 0.000 0.267 878 T C 1.887 176.621 174.700 0.057 0.000 1.036 878 T CA 1.483 63.588 62.100 0.009 0.000 1.148 878 T CB -0.413 68.436 68.868 -0.032 0.000 0.863 878 T HN 0.096 nan 8.240 nan 0.000 0.436 879 V N 1.801 121.783 119.914 0.113 0.000 2.332 879 V HA -0.233 3.887 4.120 0.001 0.000 0.248 879 V C 2.524 178.694 176.094 0.127 0.000 1.055 879 V CA 1.992 64.390 62.300 0.164 0.000 1.038 879 V CB -0.602 31.412 31.823 0.319 0.000 0.651 879 V HN 0.476 nan 8.190 nan 0.000 0.450 880 K N 0.084 120.560 120.400 0.127 0.000 2.097 880 K HA -0.202 4.119 4.320 0.001 0.000 0.205 880 K C 2.051 178.687 176.600 0.059 0.000 1.050 880 K CA 1.776 58.118 56.287 0.092 0.000 0.938 880 K CB -0.119 32.439 32.500 0.097 0.000 0.718 880 K HN 0.587 nan 8.250 nan 0.000 0.442 881 E N 0.299 120.529 120.200 0.050 0.000 2.107 881 E HA -0.114 4.236 4.350 0.001 0.000 0.191 881 E C 1.920 178.536 176.600 0.028 0.000 0.982 881 E CA 1.036 57.455 56.400 0.031 0.000 0.809 881 E CB 0.057 29.770 29.700 0.020 0.000 0.756 881 E HN 0.319 nan 8.360 nan 0.000 0.459 882 L N -0.146 121.097 121.223 0.033 0.000 2.341 882 L HA 0.063 4.403 4.340 0.001 0.000 0.214 882 L C 0.788 177.673 176.870 0.026 0.000 1.115 882 L CA 0.337 55.193 54.840 0.026 0.000 0.820 882 L CB 0.422 42.497 42.059 0.026 0.000 0.944 882 L HN -0.149 nan 8.230 nan 0.000 0.452 883 S N -0.134 115.587 115.700 0.035 0.000 2.112 883 S HA 0.243 4.714 4.470 0.001 0.000 0.151 883 S C -1.711 172.904 174.600 0.026 0.000 1.723 883 S CA -0.774 57.442 58.200 0.026 0.000 1.263 883 S CB 0.950 64.166 63.200 0.027 0.000 1.194 883 S HN 0.014 nan 8.310 nan 0.000 0.419 884 P HA -0.090 nan 4.420 nan 0.000 0.222 884 P C 0.529 177.837 177.300 0.014 0.000 1.147 884 P CA 0.962 64.074 63.100 0.020 0.000 0.790 884 P CB 0.178 31.888 31.700 0.016 0.000 0.780 885 K N -1.488 118.917 120.400 0.008 0.000 2.404 885 K HA 0.130 4.451 4.320 0.001 0.000 0.194 885 K C 0.307 176.907 176.600 -0.001 0.000 1.023 885 K CA -0.078 56.210 56.287 0.003 0.000 1.094 885 K CB 0.043 32.543 32.500 0.000 0.000 0.841 885 K HN 0.134 nan 8.250 nan 0.000 0.523 886 C N 1.466 120.767 119.300 0.001 0.000 2.355 886 C HA 0.332 4.792 4.460 0.001 0.000 0.332 886 C C -0.054 174.934 174.990 -0.003 0.000 1.255 886 C CA -1.298 57.715 59.018 -0.007 0.000 1.792 886 C CB 0.454 28.188 27.740 -0.010 0.000 2.300 886 C HN 0.332 nan 8.230 nan 0.000 0.515 887 N N 2.144 120.833 118.700 -0.018 0.000 2.558 887 N HA 0.401 5.142 4.740 0.001 0.000 0.242 887 N C -1.128 174.349 175.510 -0.055 0.000 0.979 887 N CA -0.107 52.932 53.050 -0.018 0.000 0.931 887 N CB 0.943 39.421 38.487 -0.016 0.000 1.122 887 N HN 0.439 nan 8.380 nan 0.000 0.508 888 V N 1.936 121.810 119.914 -0.066 0.000 2.370 888 V HA 0.368 4.489 4.120 0.001 0.000 0.279 888 V C 0.448 176.394 176.094 -0.246 0.000 1.029 888 V CA -0.725 61.458 62.300 -0.196 0.000 0.870 888 V CB 1.155 32.823 31.823 -0.257 0.000 0.984 888 V HN 0.619 nan 8.190 nan 0.000 0.451 889 S N 4.853 120.372 115.700 -0.302 0.000 2.442 889 S HA 0.666 5.136 4.470 0.001 0.000 0.297 889 S C -0.852 173.522 174.600 -0.377 0.000 1.131 889 S CA -0.429 57.634 58.200 -0.228 0.000 1.092 889 S CB 0.119 63.244 63.200 -0.125 0.000 0.998 889 S HN 0.410 nan 8.310 nan 0.000 0.478 890 F N 4.914 124.772 119.950 -0.153 0.000 2.361 890 F HA 0.478 5.006 4.527 0.001 0.000 0.364 890 F C -0.301 175.501 175.800 0.003 0.000 1.120 890 F CA -0.815 57.136 58.000 -0.082 0.000 1.102 890 F CB 1.071 40.022 39.000 -0.082 0.000 1.183 890 F HN 0.275 nan 8.300 nan 0.000 0.476 891 L N 5.029 126.326 121.223 0.124 0.000 2.280 891 L HA 0.384 4.724 4.340 0.001 0.000 0.287 891 L C -0.515 176.423 176.870 0.114 0.000 1.023 891 L CA -0.794 54.112 54.840 0.111 0.000 0.819 891 L CB 1.127 43.215 42.059 0.047 0.000 1.212 891 L HN 0.430 nan 8.230 nan 0.000 0.420 892 L N 3.238 124.558 121.223 0.162 0.000 2.462 892 L HA 0.221 4.561 4.340 0.001 0.000 0.272 892 L C 0.600 177.517 176.870 0.078 0.000 1.166 892 L CA 0.758 55.683 54.840 0.142 0.000 0.880 892 L CB 0.556 42.748 42.059 0.222 0.000 1.142 892 L HN 0.629 nan 8.230 nan 0.000 0.473 893 S N 3.929 119.652 115.700 0.039 0.000 2.549 893 S HA 0.079 4.549 4.470 0.001 0.000 0.283 893 S C 1.019 175.638 174.600 0.032 0.000 1.320 893 S CA -0.273 57.943 58.200 0.026 0.000 1.058 893 S CB 0.468 63.669 63.200 0.001 0.000 0.882 893 S HN 0.791 nan 8.310 nan 0.000 0.498 894 E N 1.765 121.980 120.200 0.026 0.000 2.127 894 E HA -0.049 4.301 4.350 0.001 0.000 0.191 894 E C 0.451 177.054 176.600 0.004 0.000 0.964 894 E CA 0.470 56.883 56.400 0.021 0.000 0.832 894 E CB 0.063 29.775 29.700 0.021 0.000 0.790 894 E HN 0.557 nan 8.360 nan 0.000 0.465 895 D N 0.265 120.661 120.400 -0.007 0.000 2.349 895 D HA 0.110 4.750 4.640 0.001 0.000 0.215 895 D C 0.980 177.266 176.300 -0.023 0.000 1.016 895 D CA 0.889 54.876 54.000 -0.022 0.000 0.870 895 D CB 0.580 41.356 40.800 -0.040 0.000 0.917 895 D HN 0.209 nan 8.370 nan 0.000 0.524 896 G N 0.302 109.093 108.800 -0.016 0.000 2.728 896 G HA2 -0.255 3.705 3.960 0.001 0.000 0.294 896 G HA3 -0.255 3.705 3.960 0.001 0.000 0.294 896 G C 0.771 175.657 174.900 -0.024 0.000 1.342 896 G CA -0.071 45.019 45.100 -0.017 0.000 0.866 896 G HN 0.027 nan 8.290 nan 0.000 0.534 897 S N 0.359 116.047 115.700 -0.021 0.000 2.447 897 S HA 0.029 4.499 4.470 0.001 0.000 0.233 897 S C 2.638 177.223 174.600 -0.025 0.000 1.006 897 S CA 1.997 60.183 58.200 -0.023 0.000 0.957 897 S CB -0.530 62.663 63.200 -0.013 0.000 0.773 897 S HN 1.638 nan 8.310 nan 0.000 0.507 898 G N 2.171 110.957 108.800 -0.024 0.000 2.529 898 G HA2 -0.316 3.644 3.960 0.001 0.000 0.219 898 G HA3 -0.316 3.644 3.960 0.001 0.000 0.219 898 G C 1.333 176.202 174.900 -0.051 0.000 1.177 898 G CA 1.155 46.239 45.100 -0.027 0.000 0.773 898 G HN 0.448 nan 8.290 nan 0.000 0.573 899 K N 0.390 120.744 120.400 -0.077 0.000 2.063 899 K HA -0.073 4.248 4.320 0.001 0.000 0.208 899 K C 2.683 179.202 176.600 -0.134 0.000 1.048 899 K CA 1.499 57.706 56.287 -0.133 0.000 0.928 899 K CB -0.639 31.747 32.500 -0.191 0.000 0.713 899 K HN 0.277 nan 8.250 nan 0.000 0.442 900 G N 0.257 109.002 108.800 -0.092 0.000 2.408 900 G HA2 -0.210 3.751 3.960 0.001 0.000 0.217 900 G HA3 -0.210 3.751 3.960 0.001 0.000 0.217 900 G C 1.547 176.402 174.900 -0.075 0.000 1.150 900 G CA 0.843 45.900 45.100 -0.072 0.000 0.776 900 G HN 0.427 nan 8.290 nan 0.000 0.542 901 A N 1.085 123.870 122.820 -0.059 0.000 1.972 901 A HA 0.309 4.629 4.320 0.001 0.000 0.219 901 A C 2.761 180.276 177.584 -0.115 0.000 1.169 901 A CA 2.092 54.101 52.037 -0.048 0.000 0.635 901 A CB -0.608 18.396 19.000 0.007 0.000 0.810 901 A HN 0.688 nan 8.150 nan 0.000 0.446 902 A N -0.314 122.411 122.820 -0.160 0.000 1.898 902 A HA 0.028 4.348 4.320 0.001 0.000 0.216 902 A C 2.137 179.401 177.584 -0.533 0.000 1.181 902 A CA 1.318 53.145 52.037 -0.348 0.000 0.620 902 A CB -0.543 18.347 19.000 -0.184 0.000 0.819 902 A HN 0.452 nan 8.150 nan 0.000 0.442 903 L N -0.494 120.554 121.223 -0.292 0.000 2.083 903 L HA -0.182 4.158 4.340 0.001 0.000 0.209 903 L C 2.447 179.193 176.870 -0.207 0.000 1.083 903 L CA 1.156 55.862 54.840 -0.224 0.000 0.752 903 L CB -0.437 41.564 42.059 -0.097 0.000 0.899 903 L HN 0.401 nan 8.230 nan 0.000 0.433 904 I N -0.738 119.733 120.570 -0.166 0.000 2.202 904 I HA -0.269 3.902 4.170 0.001 0.000 0.242 904 I C 2.445 178.484 176.117 -0.130 0.000 1.091 904 I CA 1.521 62.758 61.300 -0.105 0.000 1.368 904 I CB -0.507 37.458 38.000 -0.058 0.000 1.058 904 I HN 0.252 nan 8.210 nan 0.000 0.410 905 T N 0.914 115.338 114.554 -0.216 0.000 2.759 905 T HA -0.178 4.172 4.350 0.001 0.000 0.269 905 T C 2.053 176.609 174.700 -0.239 0.000 1.042 905 T CA 1.395 63.367 62.100 -0.212 0.000 1.140 905 T CB -0.355 68.359 68.868 -0.257 0.000 0.864 905 T HN 0.480 nan 8.240 nan 0.000 0.455 906 A N 1.052 123.576 122.820 -0.494 0.000 1.877 906 A HA -0.048 4.273 4.320 0.001 0.000 0.216 906 A C 2.609 180.192 177.584 -0.002 0.000 1.186 906 A CA 1.421 53.348 52.037 -0.183 0.000 0.620 906 A CB -1.037 17.852 19.000 -0.185 0.000 0.822 906 A HN 0.357 nan 8.150 nan 0.000 0.443 907 V N 0.003 119.891 119.914 -0.044 0.000 2.343 907 V HA -0.166 3.955 4.120 0.001 0.000 0.247 907 V C 2.818 178.922 176.094 0.017 0.000 1.051 907 V CA 1.835 64.135 62.300 0.001 0.000 1.036 907 V CB -1.509 30.310 31.823 -0.007 0.000 0.654 907 V HN 0.625 nan 8.190 nan 0.000 0.451 908 G N 0.086 108.891 108.800 0.008 0.000 2.491 908 G HA2 -0.243 3.718 3.960 0.001 0.000 0.218 908 G HA3 -0.243 3.718 3.960 0.001 0.000 0.218 908 G C 1.678 176.606 174.900 0.048 0.000 1.180 908 G CA 1.422 46.538 45.100 0.027 0.000 0.774 908 G HN 0.367 nan 8.290 nan 0.000 0.562 909 V N 0.728 120.688 119.914 0.078 0.000 2.233 909 V HA -0.231 3.890 4.120 0.001 0.000 0.247 909 V C 2.774 178.912 176.094 0.074 0.000 1.050 909 V CA 2.407 64.766 62.300 0.099 0.000 1.010 909 V CB -0.636 31.288 31.823 0.168 0.000 0.637 909 V HN 0.395 nan 8.190 nan 0.000 0.444 910 R N -0.266 120.280 120.500 0.076 0.000 2.113 910 R HA -0.196 4.144 4.340 0.001 0.000 0.244 910 R C 2.148 178.473 176.300 0.041 0.000 1.142 910 R CA 1.866 58.001 56.100 0.058 0.000 0.953 910 R CB -0.420 29.914 30.300 0.056 0.000 0.860 910 R HN 0.472 nan 8.270 nan 0.000 0.438 911 L N 0.222 121.467 121.223 0.036 0.000 2.549 911 L HA -0.092 4.248 4.340 0.001 0.000 0.229 911 L C 2.067 178.951 176.870 0.025 0.000 1.158 911 L CA 0.785 55.642 54.840 0.029 0.000 0.842 911 L CB -0.285 41.791 42.059 0.028 0.000 0.952 911 L HN 0.239 nan 8.230 nan 0.000 0.452 912 R N -0.718 119.799 120.500 0.028 0.000 2.276 912 R HA 0.021 4.362 4.340 0.001 0.000 0.203 912 R C 0.368 176.680 176.300 0.020 0.000 1.017 912 R CA 0.622 56.736 56.100 0.022 0.000 1.010 912 R CB 0.032 30.349 30.300 0.028 0.000 0.900 912 R HN 0.335 nan 8.270 nan 0.000 0.469 913 T N 0.000 114.568 114.554 0.024 0.000 3.816 913 T HA 0.000 4.350 4.350 0.001 0.000 0.228 913 T CA 0.000 62.113 62.100 0.021 0.000 1.349 913 T CB 0.000 68.883 68.868 0.026 0.000 0.612 913 T HN 0.000 nan 8.240 nan 0.000 0.658