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 1qha_1_B 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 EFDREIDRGS 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 TNFRVLLVKI 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 DRLVNEYSLN AGKQRYEKMI SGMYLGEIVR NILIDFTKKG DATA SEQUENCE FLFRGQISET LKTRGIFETK FLSQIESDRL ALLQVRAILQ QLGLNSTCDD DATA SEQUENCE SILVKTVCGV VSRRAAQLCG AGMAAVVDKI RENRGLDRLN VTVGVDGTLY DATA SEQUENCE KLHPHFSRIM HQTVKELSPK CNVSFLLSED GSGKGAALIT AVGVRLRTE 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 0.000 176.289 176.300 -0.018 0.000 2.045 16 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 16 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 17 D N -0.871 119.513 120.400 -0.027 0.000 2.506 17 D HA 0.269 4.910 4.640 0.003 0.000 0.272 17 D C 1.246 177.522 176.300 -0.041 0.000 1.214 17 D CA -0.501 53.476 54.000 -0.037 0.000 1.067 17 D CB 0.766 41.535 40.800 -0.052 0.000 1.117 17 D HN -0.171 nan 8.370 nan 0.000 0.578 18 Q N -0.920 118.851 119.800 -0.049 0.000 2.297 18 Q HA 0.040 4.381 4.340 0.003 0.000 0.204 18 Q C 1.683 177.648 176.000 -0.059 0.000 0.962 18 Q CA 0.630 56.404 55.803 -0.048 0.000 0.879 18 Q CB -0.240 28.469 28.738 -0.048 0.000 0.947 18 Q HN 0.448 nan 8.270 nan 0.000 0.462 19 V N 0.163 120.009 119.914 -0.115 0.000 2.548 19 V HA -0.174 3.948 4.120 0.003 0.000 0.249 19 V C 1.827 177.838 176.094 -0.139 0.000 1.055 19 V CA 1.314 63.466 62.300 -0.247 0.000 1.065 19 V CB -0.216 31.338 31.823 -0.448 0.000 0.681 19 V HN 0.204 nan 8.190 nan 0.000 0.462 20 K N 0.230 120.589 120.400 -0.069 0.000 2.155 20 K HA -0.066 4.256 4.320 0.003 0.000 0.203 20 K C 2.082 178.704 176.600 0.037 0.000 1.052 20 K CA 1.032 57.314 56.287 -0.008 0.000 0.948 20 K CB -0.252 32.242 32.500 -0.011 0.000 0.728 20 K HN 0.349 nan 8.250 nan 0.000 0.448 21 K N 0.682 121.097 120.400 0.026 0.000 2.002 21 K HA 0.008 4.330 4.320 0.003 0.000 0.209 21 K C 2.153 178.819 176.600 0.111 0.000 1.048 21 K CA 1.058 57.377 56.287 0.055 0.000 0.930 21 K CB -0.202 32.312 32.500 0.025 0.000 0.714 21 K HN -0.022 nan 8.250 nan 0.000 0.438 22 I N 1.278 121.908 120.570 0.099 0.000 2.208 22 I HA -0.318 3.854 4.170 0.003 0.000 0.245 22 I C 1.670 177.923 176.117 0.226 0.000 1.097 22 I CA 1.265 62.653 61.300 0.148 0.000 1.363 22 I CB -0.241 37.854 38.000 0.158 0.000 1.051 22 I HN 0.189 nan 8.210 nan 0.000 0.413 23 D N 0.757 121.295 120.400 0.230 0.000 2.149 23 D HA -0.178 4.463 4.640 0.003 0.000 0.198 23 D C 2.215 178.664 176.300 0.248 0.000 0.990 23 D CA 1.287 55.430 54.000 0.238 0.000 0.839 23 D CB -0.032 40.895 40.800 0.211 0.000 0.948 23 D HN 0.311 nan 8.370 nan 0.000 0.460 24 K N -0.907 119.617 120.400 0.208 0.000 2.044 24 K HA -0.091 4.231 4.320 0.003 0.000 0.204 24 K C 2.121 178.838 176.600 0.196 0.000 1.049 24 K CA 0.331 56.718 56.287 0.167 0.000 0.945 24 K CB -0.221 32.326 32.500 0.080 0.000 0.724 24 K HN 0.085 nan 8.250 nan 0.000 0.440 25 Y N 1.212 121.563 120.300 0.086 0.000 2.151 25 Y HA -0.173 4.379 4.550 0.003 0.000 0.284 25 Y C 1.233 177.210 175.900 0.128 0.000 1.166 25 Y CA 1.506 59.659 58.100 0.089 0.000 1.163 25 Y CB 0.162 38.660 38.460 0.064 0.000 0.974 25 Y HN -0.036 nan 8.280 nan 0.000 0.511 26 L N -0.434 120.984 121.223 0.326 0.000 2.872 26 L HA 0.007 4.349 4.340 0.003 0.000 0.245 26 L C 1.178 178.145 176.870 0.160 0.000 1.211 26 L CA -0.223 54.755 54.840 0.229 0.000 1.013 26 L CB -0.509 41.642 42.059 0.154 0.000 1.326 26 L HN 0.215 nan 8.230 nan 0.000 0.525 27 Y N 2.035 122.366 120.300 0.052 0.000 2.132 27 Y HA -0.399 4.153 4.550 0.003 0.000 0.280 27 Y C 2.363 178.264 175.900 0.002 0.000 1.193 27 Y CA 1.800 59.911 58.100 0.018 0.000 1.157 27 Y CB 0.013 38.474 38.460 0.002 0.000 0.966 27 Y HN 0.287 nan 8.280 nan 0.000 0.511 28 A N -0.977 121.869 122.820 0.044 0.000 2.209 28 A HA -0.067 4.255 4.320 0.003 0.000 0.212 28 A C 2.079 179.615 177.584 -0.081 0.000 1.158 28 A CA 1.255 53.266 52.037 -0.043 0.000 0.742 28 A CB -0.680 18.338 19.000 0.030 0.000 0.790 28 A HN 0.585 nan 8.150 nan 0.000 0.472 29 M N -0.950 118.610 119.600 -0.066 0.000 2.510 29 M HA 0.091 4.573 4.480 0.003 0.000 0.256 29 M C 0.207 176.422 176.300 -0.142 0.000 1.132 29 M CA 0.300 55.558 55.300 -0.070 0.000 1.105 29 M CB 0.280 32.867 32.600 -0.022 0.000 1.375 29 M HN 0.171 nan 8.290 nan 0.000 0.477 30 R N 1.995 122.365 120.500 -0.216 0.000 2.419 30 R HA 0.366 4.708 4.340 0.003 0.000 0.305 30 R C -0.861 175.259 176.300 -0.300 0.000 1.242 30 R CA -0.086 55.853 56.100 -0.269 0.000 1.105 30 R CB -0.090 30.050 30.300 -0.266 0.000 1.116 30 R HN 0.258 nan 8.270 nan 0.000 0.523 31 L N 2.452 123.531 121.223 -0.240 0.000 2.367 31 L HA 0.140 4.482 4.340 0.003 0.000 0.275 31 L C 1.018 177.778 176.870 -0.184 0.000 1.129 31 L CA -0.187 54.539 54.840 -0.190 0.000 0.839 31 L CB 0.986 42.968 42.059 -0.129 0.000 1.133 31 L HN 0.612 nan 8.230 nan 0.000 0.453 32 S N 0.558 116.170 115.700 -0.146 0.000 2.655 32 S HA 0.146 4.618 4.470 0.003 0.000 0.265 32 S C 0.549 175.107 174.600 -0.070 0.000 1.240 32 S CA -0.782 57.353 58.200 -0.109 0.000 0.986 32 S CB 1.364 64.516 63.200 -0.080 0.000 0.985 32 S HN 0.578 nan 8.310 nan 0.000 0.562 33 D N 0.919 121.290 120.400 -0.050 0.000 2.178 33 D HA -0.045 4.597 4.640 0.003 0.000 0.201 33 D C 1.788 178.082 176.300 -0.010 0.000 0.980 33 D CA 1.478 55.465 54.000 -0.022 0.000 0.842 33 D CB -0.313 40.480 40.800 -0.012 0.000 0.948 33 D HN 0.732 nan 8.370 nan 0.000 0.472 34 E N -0.322 119.870 120.200 -0.014 0.000 2.047 34 E HA -0.086 4.266 4.350 0.003 0.000 0.191 34 E C 2.103 178.701 176.600 -0.004 0.000 0.987 34 E CA 1.286 57.682 56.400 -0.005 0.000 0.799 34 E CB -0.539 29.158 29.700 -0.005 0.000 0.752 34 E HN 0.144 nan 8.360 nan 0.000 0.449 35 T N 1.296 115.840 114.554 -0.016 0.000 2.788 35 T HA -0.092 4.260 4.350 0.003 0.000 0.268 35 T C 1.837 176.539 174.700 0.003 0.000 1.044 35 T CA 0.941 63.033 62.100 -0.013 0.000 1.139 35 T CB -0.217 68.629 68.868 -0.037 0.000 0.867 35 T HN 0.054 nan 8.240 nan 0.000 0.454 36 L N 0.238 121.463 121.223 0.002 0.000 2.109 36 L HA 0.016 4.358 4.340 0.003 0.000 0.207 36 L C 2.361 179.254 176.870 0.039 0.000 1.086 36 L CA 0.532 55.387 54.840 0.025 0.000 0.760 36 L CB -0.519 41.554 42.059 0.022 0.000 0.910 36 L HN 0.191 nan 8.230 nan 0.000 0.437 37 I N 0.326 120.913 120.570 0.027 0.000 2.361 37 I HA -0.267 3.905 4.170 0.003 0.000 0.251 37 I C 2.272 178.411 176.117 0.037 0.000 1.133 37 I CA 1.414 62.733 61.300 0.031 0.000 1.413 37 I CB -0.997 37.016 38.000 0.021 0.000 1.073 37 I HN 0.349 nan 8.210 nan 0.000 0.424 38 D N 1.133 121.553 120.400 0.035 0.000 2.123 38 D HA -0.150 4.492 4.640 0.003 0.000 0.200 38 D C 2.115 178.460 176.300 0.074 0.000 0.976 38 D CA 0.952 54.977 54.000 0.041 0.000 0.831 38 D CB 0.113 40.929 40.800 0.027 0.000 0.974 38 D HN 0.074 nan 8.370 nan 0.000 0.469 39 I N 1.207 121.830 120.570 0.088 0.000 2.208 39 I HA -0.235 3.937 4.170 0.003 0.000 0.245 39 I C 2.624 178.852 176.117 0.185 0.000 1.097 39 I CA 0.992 62.389 61.300 0.162 0.000 1.363 39 I CB -1.270 36.826 38.000 0.160 0.000 1.051 39 I HN 0.254 nan 8.210 nan 0.000 0.413 40 M N 0.120 119.786 119.600 0.110 0.000 2.117 40 M HA -0.211 4.271 4.480 0.003 0.000 0.262 40 M C 2.223 178.571 176.300 0.081 0.000 1.065 40 M CA 1.876 57.229 55.300 0.088 0.000 1.114 40 M CB -0.236 32.402 32.600 0.063 0.000 1.361 40 M HN 0.179 nan 8.290 nan 0.000 0.408 41 T N 0.591 115.182 114.554 0.062 0.000 2.674 41 T HA -0.136 4.216 4.350 0.003 0.000 0.265 41 T C 1.694 176.413 174.700 0.032 0.000 1.039 41 T CA 1.780 63.900 62.100 0.033 0.000 1.150 41 T CB -0.279 68.605 68.868 0.027 0.000 0.864 41 T HN 0.446 nan 8.240 nan 0.000 0.427 42 R N 0.263 120.814 120.500 0.086 0.000 2.091 42 R HA -0.052 4.290 4.340 0.003 0.000 0.238 42 R C 2.094 178.415 176.300 0.036 0.000 1.136 42 R CA 1.441 57.614 56.100 0.121 0.000 0.959 42 R CB -0.617 29.842 30.300 0.265 0.000 0.856 42 R HN 0.318 nan 8.270 nan 0.000 0.437 43 F N 1.317 121.135 119.950 -0.220 0.000 2.216 43 F HA -0.117 4.413 4.527 0.004 0.000 0.300 43 F C 2.309 177.927 175.800 -0.303 0.000 1.085 43 F CA 1.251 58.891 58.000 -0.600 0.000 1.326 43 F CB -0.033 38.505 39.000 -0.770 0.000 1.027 43 F HN -0.198 nan 8.300 nan 0.000 0.497 44 R N 0.937 121.327 120.500 -0.184 0.000 2.096 44 R HA -0.120 4.222 4.340 0.003 0.000 0.235 44 R C 2.030 178.206 176.300 -0.207 0.000 1.127 44 R CA 1.722 57.712 56.100 -0.183 0.000 0.968 44 R CB -0.320 29.937 30.300 -0.072 0.000 0.861 44 R HN 0.263 nan 8.270 nan 0.000 0.440 45 K N -0.083 120.217 120.400 -0.167 0.000 2.116 45 K HA -0.029 4.293 4.320 0.003 0.000 0.203 45 K C 1.780 178.274 176.600 -0.177 0.000 1.052 45 K CA 1.038 57.241 56.287 -0.139 0.000 0.952 45 K CB 0.011 32.458 32.500 -0.089 0.000 0.729 45 K HN 0.168 nan 8.250 nan 0.000 0.446 46 E N 1.167 121.218 120.200 -0.248 0.000 2.118 46 E HA -0.165 4.186 4.350 0.003 0.000 0.195 46 E C 2.035 178.455 176.600 -0.301 0.000 0.992 46 E CA 1.215 57.459 56.400 -0.259 0.000 0.804 46 E CB -0.167 29.363 29.700 -0.284 0.000 0.741 46 E HN 0.384 nan 8.360 nan 0.000 0.458 47 M N 0.576 119.902 119.600 -0.457 0.000 2.086 47 M HA -0.148 4.334 4.480 0.003 0.000 0.261 47 M C 2.472 178.689 176.300 -0.138 0.000 1.067 47 M CA 1.306 56.411 55.300 -0.324 0.000 1.116 47 M CB -0.363 32.012 32.600 -0.374 0.000 1.348 47 M HN -0.048 nan 8.290 nan 0.000 0.407 48 K N 0.898 121.217 120.400 -0.134 0.000 2.020 48 K HA -0.189 4.133 4.320 0.003 0.000 0.212 48 K C 1.493 178.094 176.600 0.002 0.000 1.050 48 K CA 1.962 58.212 56.287 -0.062 0.000 0.929 48 K CB -0.368 32.090 32.500 -0.069 0.000 0.714 48 K HN 0.476 nan 8.250 nan 0.000 0.443 49 N N -0.867 117.828 118.700 -0.007 0.000 2.104 49 N HA -0.148 4.594 4.740 0.003 0.000 0.190 49 N C 1.833 177.397 175.510 0.090 0.000 1.024 49 N CA 1.038 54.139 53.050 0.085 0.000 0.853 49 N CB -0.214 38.286 38.487 0.022 0.000 1.008 49 N HN 0.295 nan 8.380 nan 0.000 0.424 50 G N 0.553 109.364 108.800 0.018 0.000 2.448 50 G HA2 -0.094 3.868 3.960 0.003 0.000 0.218 50 G HA3 -0.094 3.868 3.960 0.003 0.000 0.218 50 G C 1.393 176.309 174.900 0.026 0.000 1.135 50 G CA 0.181 45.297 45.100 0.026 0.000 0.784 50 G HN 0.150 nan 8.290 nan 0.000 0.543 51 L N 0.991 122.226 121.223 0.020 0.000 2.418 51 L HA 0.142 4.483 4.340 0.003 0.000 0.218 51 L C 1.772 178.651 176.870 0.015 0.000 1.125 51 L CA 0.096 54.947 54.840 0.019 0.000 0.835 51 L CB 0.052 42.128 42.059 0.028 0.000 0.953 51 L HN 0.248 nan 8.230 nan 0.000 0.454 52 S N 0.350 116.066 115.700 0.026 0.000 2.545 52 S HA 0.102 4.574 4.470 0.003 0.000 0.275 52 S C 1.485 176.054 174.600 -0.051 0.000 1.299 52 S CA -0.761 57.436 58.200 -0.005 0.000 1.048 52 S CB 1.083 64.307 63.200 0.040 0.000 0.938 52 S HN 0.374 nan 8.310 nan 0.000 0.496 53 R N 3.214 123.666 120.500 -0.080 0.000 2.120 53 R HA -0.081 4.261 4.340 0.003 0.000 0.234 53 R C 0.709 176.901 176.300 -0.179 0.000 1.123 53 R CA 1.548 57.592 56.100 -0.093 0.000 0.975 53 R CB -0.700 29.551 30.300 -0.081 0.000 0.866 53 R HN 0.585 nan 8.270 nan 0.000 0.446 54 D N 1.051 121.255 120.400 -0.326 0.000 2.077 54 D HA -0.134 4.508 4.640 0.003 0.000 0.193 54 D C 1.621 177.544 176.300 -0.629 0.000 0.989 54 D CA 1.364 54.995 54.000 -0.615 0.000 0.831 54 D CB -0.261 39.991 40.800 -0.913 0.000 0.979 54 D HN 0.272 nan 8.370 nan 0.000 0.449 55 F N 0.523 120.469 119.950 -0.006 0.000 2.797 55 F HA 0.119 4.646 4.527 0.001 0.000 0.302 55 F C 1.858 177.658 175.800 -0.001 0.000 1.130 55 F CA -0.297 57.701 58.000 -0.005 0.000 1.387 55 F CB -0.915 38.078 39.000 -0.011 0.000 1.107 55 F HN -0.100 nan 8.300 nan 0.000 0.577 56 N N 1.439 120.197 118.700 0.096 0.000 2.120 56 N HA -0.125 4.617 4.740 0.003 0.000 0.188 56 N C -0.895 174.657 175.510 0.071 0.000 1.024 56 N CA 1.381 54.476 53.050 0.075 0.000 0.852 56 N CB -0.800 37.708 38.487 0.035 0.000 1.003 56 N HN -0.013 nan 8.380 nan 0.000 0.424 57 P HA -0.076 nan 4.420 nan 0.000 0.217 57 P C 0.553 177.894 177.300 0.068 0.000 1.148 57 P CA 1.467 64.598 63.100 0.052 0.000 0.828 57 P CB -0.073 31.649 31.700 0.036 0.000 0.783 58 T N -1.914 112.697 114.554 0.094 0.000 3.022 58 T HA 0.326 4.678 4.350 0.003 0.000 0.250 58 T C 0.907 175.659 174.700 0.088 0.000 1.060 58 T CA -0.032 62.122 62.100 0.090 0.000 1.013 58 T CB -0.180 68.749 68.868 0.101 0.000 0.982 58 T HN 0.069 nan 8.240 nan 0.000 0.508 59 A N 2.181 125.059 122.820 0.097 0.000 2.511 59 A HA 0.337 4.658 4.320 0.003 0.000 0.242 59 A C 1.767 179.400 177.584 0.082 0.000 1.069 59 A CA 0.211 52.297 52.037 0.082 0.000 0.763 59 A CB 0.082 19.131 19.000 0.082 0.000 1.001 59 A HN 0.407 nan 8.150 nan 0.000 0.498 60 T N -0.358 114.252 114.554 0.093 0.000 3.067 60 T HA 0.075 4.427 4.350 0.003 0.000 0.261 60 T C 0.362 175.147 174.700 0.142 0.000 1.110 60 T CA 0.905 63.078 62.100 0.122 0.000 1.113 60 T CB -0.223 68.733 68.868 0.147 0.000 0.917 60 T HN 0.299 nan 8.240 nan 0.000 0.499 61 V N 2.953 122.933 119.914 0.111 0.000 2.259 61 V HA 0.302 4.424 4.120 0.003 0.000 0.267 61 V C 0.941 177.079 176.094 0.073 0.000 1.051 61 V CA -0.767 61.599 62.300 0.110 0.000 0.830 61 V CB 0.957 32.790 31.823 0.017 0.000 1.080 61 V HN 0.223 nan 8.190 nan 0.000 0.467 62 K N 3.415 123.871 120.400 0.092 0.000 2.360 62 K HA 0.037 4.359 4.320 0.003 0.000 0.201 62 K C 1.104 177.733 176.600 0.048 0.000 1.046 62 K CA 0.369 56.697 56.287 0.068 0.000 0.945 62 K CB -0.131 32.413 32.500 0.074 0.000 0.750 62 K HN 0.639 nan 8.250 nan 0.000 0.464 63 M N 0.343 119.972 119.600 0.049 0.000 2.206 63 M HA -0.226 4.255 4.480 0.003 0.000 0.197 63 M C -0.667 175.631 176.300 -0.003 0.000 0.375 63 M CA 0.591 55.907 55.300 0.027 0.000 0.410 63 M CB -2.600 30.014 32.600 0.023 0.000 1.204 63 M HN 0.027 nan 8.290 nan 0.000 0.932 64 L N 1.428 122.651 121.223 -0.000 0.000 2.534 64 L HA 0.121 4.463 4.340 0.003 0.000 0.271 64 L C -1.519 175.322 176.870 -0.048 0.000 1.178 64 L CA -1.388 53.449 54.840 -0.005 0.000 0.907 64 L CB -0.081 41.991 42.059 0.022 0.000 1.164 64 L HN 0.073 nan 8.230 nan 0.000 0.482 65 P HA 0.012 nan 4.420 nan 0.000 0.268 65 P C 0.518 177.765 177.300 -0.089 0.000 1.204 65 P CA 0.018 63.019 63.100 -0.166 0.000 0.768 65 P CB 0.806 32.389 31.700 -0.195 0.000 0.842 66 T N -0.890 113.572 114.554 -0.153 0.000 3.010 66 T HA 0.186 4.538 4.350 0.003 0.000 0.257 66 T C 0.596 175.359 174.700 0.106 0.000 1.020 66 T CA -0.147 61.956 62.100 0.004 0.000 0.938 66 T CB -0.782 68.058 68.868 -0.048 0.000 1.049 66 T HN 0.185 nan 8.240 nan 0.000 0.522 67 F N 0.402 120.333 119.950 -0.033 0.000 3.069 67 F HA -0.170 4.359 4.527 0.003 0.000 0.285 67 F C 0.039 175.822 175.800 -0.028 0.000 0.827 67 F CA 0.059 58.043 58.000 -0.025 0.000 1.108 67 F CB -2.261 36.731 39.000 -0.013 0.000 1.252 67 F HN 0.151 nan 8.300 nan 0.000 0.483 68 V N 0.845 120.745 119.914 -0.024 0.000 2.370 68 V HA 0.300 4.421 4.120 0.003 0.000 0.279 68 V C 1.181 177.240 176.094 -0.059 0.000 1.029 68 V CA -0.458 61.831 62.300 -0.019 0.000 0.870 68 V CB 1.759 33.570 31.823 -0.021 0.000 0.984 68 V HN 0.207 nan 8.190 nan 0.000 0.451 69 R N 2.586 123.063 120.500 -0.037 0.000 2.362 69 R HA 0.279 4.621 4.340 0.003 0.000 0.227 69 R C 0.280 176.556 176.300 -0.041 0.000 0.905 69 R CA 0.382 56.452 56.100 -0.051 0.000 1.067 69 R CB 0.568 30.847 30.300 -0.035 0.000 1.078 69 R HN 0.793 nan 8.270 nan 0.000 0.516 70 S N -0.217 115.466 115.700 -0.029 0.000 2.633 70 S HA 0.283 4.754 4.470 0.003 0.000 0.271 70 S C -0.358 174.235 174.600 -0.010 0.000 1.112 70 S CA -1.293 56.894 58.200 -0.021 0.000 0.828 70 S CB 0.619 63.811 63.200 -0.014 0.000 1.086 70 S HN 0.216 nan 8.310 nan 0.000 0.461 71 I N -1.229 119.337 120.570 -0.005 0.000 2.945 71 I HA 0.571 4.742 4.170 0.003 0.000 0.292 71 I C -2.672 173.451 176.117 0.010 0.000 1.093 71 I CA -2.394 58.910 61.300 0.007 0.000 1.336 71 I CB -0.437 37.569 38.000 0.010 0.000 1.435 71 I HN 0.329 nan 8.210 nan 0.000 0.593 72 P HA -0.020 nan 4.420 nan 0.000 0.265 72 P C -0.807 176.475 177.300 -0.030 0.000 1.187 72 P CA 0.329 63.450 63.100 0.036 0.000 0.766 72 P CB 0.308 32.094 31.700 0.144 0.000 0.820 73 D N 1.053 121.438 120.400 -0.025 0.000 2.538 73 D HA 0.175 4.817 4.640 0.003 0.000 0.231 73 D C 1.292 177.549 176.300 -0.071 0.000 1.229 73 D CA -0.130 53.842 54.000 -0.048 0.000 0.828 73 D CB -0.549 40.241 40.800 -0.017 0.000 1.035 73 D HN 0.536 nan 8.370 nan 0.000 0.495 74 G N 0.706 109.439 108.800 -0.110 0.000 2.245 74 G HA2 -0.391 3.571 3.960 0.003 0.000 0.264 74 G HA3 -0.391 3.571 3.960 0.003 0.000 0.264 74 G C 1.201 176.110 174.900 0.016 0.000 0.985 74 G CA 0.830 45.865 45.100 -0.108 0.000 0.625 74 G HN 0.817 nan 8.290 nan 0.000 0.536 75 S N 0.715 116.448 115.700 0.055 0.000 2.575 75 S HA 0.265 4.737 4.470 0.003 0.000 0.215 75 S C 0.840 175.543 174.600 0.172 0.000 0.966 75 S CA 0.770 59.046 58.200 0.126 0.000 0.911 75 S CB 0.006 63.259 63.200 0.088 0.000 0.780 75 S HN 0.736 nan 8.310 nan 0.000 0.514 76 E N 2.576 122.878 120.200 0.169 0.000 2.373 76 E HA 0.321 4.673 4.350 0.003 0.000 0.267 76 E C -0.372 176.372 176.600 0.240 0.000 1.032 76 E CA -0.265 56.253 56.400 0.197 0.000 0.889 76 E CB 0.370 30.177 29.700 0.179 0.000 0.984 76 E HN 0.715 nan 8.360 nan 0.000 0.425 77 K N 0.049 120.600 120.400 0.251 0.000 2.557 77 K HA 0.737 5.059 4.320 0.003 0.000 0.261 77 K C -0.377 176.336 176.600 0.189 0.000 0.932 77 K CA -0.716 55.690 56.287 0.197 0.000 0.829 77 K CB 2.148 34.702 32.500 0.089 0.000 1.358 77 K HN 0.777 nan 8.250 nan 0.000 0.430 78 G N 0.867 109.677 108.800 0.017 0.000 2.362 78 G HA2 0.186 4.148 3.960 0.003 0.000 0.288 78 G HA3 0.186 4.148 3.960 0.003 0.000 0.288 78 G C -2.192 172.289 174.900 -0.698 0.000 1.305 78 G CA -0.486 44.364 45.100 -0.416 0.000 0.910 78 G HN 0.715 nan 8.290 nan 0.000 0.518 79 D N -0.371 119.361 120.400 -1.114 0.000 2.473 79 D HA 0.645 5.287 4.640 0.003 0.000 0.253 79 D C -1.351 174.484 176.300 -0.775 0.000 1.233 79 D CA -0.403 53.195 54.000 -0.669 0.000 0.908 79 D CB 0.777 41.385 40.800 -0.321 0.000 1.170 79 D HN 0.244 nan 8.370 nan 0.000 0.558 80 F N 3.398 123.333 119.950 -0.025 0.000 2.493 80 F HA 0.438 4.967 4.527 0.003 0.000 0.329 80 F C 0.432 176.229 175.800 -0.007 0.000 1.126 80 F CA -1.069 56.913 58.000 -0.029 0.000 0.937 80 F CB 1.320 40.303 39.000 -0.028 0.000 1.146 80 F HN 0.142 nan 8.300 nan 0.000 0.442 81 I N 2.874 123.538 120.570 0.157 0.000 2.474 81 I HA 0.510 4.682 4.170 0.003 0.000 0.287 81 I C 0.224 176.381 176.117 0.067 0.000 1.048 81 I CA -0.636 60.706 61.300 0.071 0.000 1.383 81 I CB 0.574 38.602 38.000 0.047 0.000 1.412 81 I HN 0.669 nan 8.210 nan 0.000 0.531 82 A N 7.723 130.539 122.820 -0.007 0.000 2.381 82 A HA 0.780 5.102 4.320 0.003 0.000 0.299 82 A C -0.787 176.815 177.584 0.030 0.000 1.049 82 A CA -0.580 51.478 52.037 0.036 0.000 0.715 82 A CB 1.048 20.064 19.000 0.027 0.000 1.222 82 A HN 0.587 nan 8.150 nan 0.000 0.428 83 L N 1.310 122.639 121.223 0.177 0.000 2.334 83 L HA 0.630 4.972 4.340 0.003 0.000 0.275 83 L C -0.420 176.602 176.870 0.255 0.000 1.036 83 L CA -0.746 54.273 54.840 0.297 0.000 0.807 83 L CB 1.448 43.849 42.059 0.570 0.000 1.231 83 L HN 0.622 nan 8.230 nan 0.000 0.438 84 D N 2.790 123.352 120.400 0.270 0.000 2.420 84 D HA 0.429 5.071 4.640 0.003 0.000 0.255 84 D C -1.582 174.890 176.300 0.288 0.000 1.185 84 D CA -0.286 53.815 54.000 0.167 0.000 0.904 84 D CB 1.476 42.340 40.800 0.106 0.000 1.102 84 D HN 0.220 nan 8.370 nan 0.000 0.534 85 L N 2.557 123.869 121.223 0.149 0.000 2.342 85 L HA 0.848 5.190 4.340 0.003 0.000 0.271 85 L C 1.114 177.909 176.870 -0.126 0.000 1.008 85 L CA 0.457 55.362 54.840 0.109 0.000 0.818 85 L CB 1.839 43.934 42.059 0.060 0.000 1.296 85 L HN 0.572 nan 8.230 nan 0.000 0.427 86 G N 2.043 110.715 108.800 -0.213 0.000 2.481 86 G HA2 -0.098 3.864 3.960 0.003 0.000 0.200 86 G HA3 -0.098 3.864 3.960 0.003 0.000 0.200 86 G C 0.372 175.095 174.900 -0.295 0.000 1.012 86 G CA 0.058 44.862 45.100 -0.493 0.000 0.676 86 G HN 1.149 nan 8.290 nan 0.000 0.488 87 G N 0.467 109.184 108.800 -0.139 0.000 2.630 87 G HA2 0.517 4.479 3.960 0.003 0.000 0.223 87 G HA3 0.517 4.479 3.960 0.003 0.000 0.223 87 G C 1.530 176.456 174.900 0.042 0.000 1.434 87 G CA 1.316 46.379 45.100 -0.061 0.000 1.057 87 G HN 1.140 nan 8.290 nan 0.000 0.570 88 S N -1.371 114.347 115.700 0.031 0.000 2.481 88 S HA 0.177 4.649 4.470 0.003 0.000 0.231 88 S C 0.764 175.415 174.600 0.085 0.000 0.996 88 S CA 0.652 58.881 58.200 0.048 0.000 0.942 88 S CB -0.031 63.178 63.200 0.015 0.000 0.768 88 S HN 0.377 nan 8.310 nan 0.000 0.520 89 S N 0.859 116.624 115.700 0.109 0.000 2.536 89 S HA 0.545 5.017 4.470 0.003 0.000 0.271 89 S C -1.372 173.380 174.600 0.252 0.000 1.134 89 S CA -0.767 57.528 58.200 0.157 0.000 0.897 89 S CB 1.380 64.635 63.200 0.092 0.000 1.094 89 S HN 0.311 nan 8.310 nan 0.000 0.473 90 F N 5.423 125.465 119.950 0.152 0.000 2.413 90 F HA 0.518 5.047 4.527 0.003 0.000 0.359 90 F C 0.348 176.268 175.800 0.199 0.000 1.122 90 F CA -0.984 57.131 58.000 0.190 0.000 1.160 90 F CB 0.124 39.282 39.000 0.264 0.000 1.146 90 F HN 0.560 nan 8.300 nan 0.000 0.514 91 R N 6.829 127.338 120.500 0.015 0.000 2.807 91 R HA 0.739 5.081 4.340 0.003 0.000 0.276 91 R C -1.681 174.521 176.300 -0.165 0.000 0.979 91 R CA -1.015 55.004 56.100 -0.135 0.000 0.928 91 R CB 2.063 32.345 30.300 -0.031 0.000 1.191 91 R HN 0.624 nan 8.270 nan 0.000 0.471 92 I N 3.185 123.615 120.570 -0.233 0.000 2.439 92 I HA 0.307 4.479 4.170 0.003 0.000 0.285 92 I C -1.035 174.782 176.117 -0.500 0.000 1.021 92 I CA -1.005 60.048 61.300 -0.412 0.000 1.091 92 I CB 1.643 39.264 38.000 -0.631 0.000 1.242 92 I HN 0.348 nan 8.210 nan 0.000 0.439 93 L N 5.963 126.972 121.223 -0.357 0.000 2.322 93 L HA 0.600 4.941 4.340 0.003 0.000 0.269 93 L C 0.025 176.839 176.870 -0.093 0.000 1.012 93 L CA -0.562 54.188 54.840 -0.151 0.000 0.815 93 L CB 1.527 43.549 42.059 -0.062 0.000 1.295 93 L HN 0.505 nan 8.230 nan 0.000 0.438 94 R N 1.204 121.779 120.500 0.124 0.000 2.371 94 R HA 0.671 5.013 4.340 0.003 0.000 0.312 94 R C -1.886 174.467 176.300 0.088 0.000 0.980 94 R CA -0.439 55.761 56.100 0.167 0.000 0.867 94 R CB 1.254 31.737 30.300 0.306 0.000 1.163 94 R HN 0.473 nan 8.270 nan 0.000 0.492 95 V N 5.029 125.001 119.914 0.096 0.000 2.370 95 V HA 0.290 4.412 4.120 0.003 0.000 0.279 95 V C -0.217 175.954 176.094 0.127 0.000 1.029 95 V CA -0.455 61.898 62.300 0.088 0.000 0.870 95 V CB 1.528 33.417 31.823 0.109 0.000 0.984 95 V HN 0.787 nan 8.190 nan 0.000 0.451 96 Q N 3.153 123.015 119.800 0.105 0.000 2.337 96 Q HA 0.759 5.100 4.340 0.003 0.000 0.266 96 Q C -1.446 174.619 176.000 0.109 0.000 1.023 96 Q CA -0.498 55.360 55.803 0.092 0.000 0.829 96 Q CB 2.726 31.521 28.738 0.094 0.000 1.306 96 Q HN 0.585 nan 8.270 nan 0.000 0.449 97 V N 3.242 123.224 119.914 0.112 0.000 2.623 97 V HA 0.498 4.620 4.120 0.003 0.000 0.304 97 V C -1.121 175.051 176.094 0.130 0.000 1.054 97 V CA -0.875 61.510 62.300 0.142 0.000 0.882 97 V CB 1.816 33.767 31.823 0.213 0.000 1.002 97 V HN 0.929 nan 8.190 nan 0.000 0.424 98 N N 1.769 120.547 118.700 0.129 0.000 2.329 98 N HA 0.497 5.239 4.740 0.003 0.000 0.282 98 N C -0.119 175.501 175.510 0.183 0.000 1.198 98 N CA -0.623 52.494 53.050 0.111 0.000 0.790 98 N CB 1.476 39.986 38.487 0.039 0.000 1.579 98 N HN 0.716 nan 8.380 nan 0.000 0.475 99 H N -0.433 118.685 119.070 0.080 0.000 2.587 99 H HA 0.326 4.884 4.556 0.003 0.000 0.312 99 H C -0.603 174.756 175.328 0.051 0.000 1.314 99 H CA -0.288 55.803 56.048 0.071 0.000 1.962 99 H CB 0.101 29.905 29.762 0.070 0.000 1.536 99 H HN 0.442 nan 8.280 nan 0.000 0.619 100 E N 1.594 122.763 120.200 1.616 0.000 2.180 100 E HA 0.203 4.555 4.350 0.003 0.000 0.283 100 E C -0.586 176.132 176.600 0.196 0.000 1.061 100 E CA 0.185 57.418 56.400 1.388 0.000 0.861 100 E CB 1.070 30.947 29.700 0.294 0.000 1.056 100 E HN 0.631 nan 8.360 nan 0.000 0.407 101 K N 2.764 123.282 120.400 0.197 0.000 8.071 101 K HA -0.011 4.311 4.320 0.003 0.000 0.189 101 K C -0.386 176.263 176.600 0.081 0.000 1.602 101 K CA -0.496 55.855 56.287 0.106 0.000 0.928 101 K CB -0.592 31.957 32.500 0.081 0.000 0.363 101 K HN 0.393 nan 8.250 nan 0.000 0.418 102 N N 1.795 120.530 118.700 0.059 0.000 2.242 102 N HA 0.230 4.972 4.740 0.003 0.000 0.292 102 N C -1.390 174.161 175.510 0.068 0.000 1.125 102 N CA -0.625 52.463 53.050 0.063 0.000 0.783 102 N CB 2.030 40.543 38.487 0.043 0.000 1.558 102 N HN 0.332 nan 8.380 nan 0.000 0.472 103 Q N 1.436 121.281 119.800 0.075 0.000 3.211 103 Q HA -0.194 4.147 4.340 0.003 0.000 0.364 103 Q C -0.506 175.547 176.000 0.088 0.000 1.317 103 Q CA 1.279 57.132 55.803 0.082 0.000 0.823 103 Q CB -0.360 28.417 28.738 0.065 0.000 1.323 103 Q HN 0.792 nan 8.270 nan 0.000 0.586 104 N N -1.343 117.442 118.700 0.142 0.000 5.634 104 N HA 0.306 5.048 4.740 0.003 0.000 0.150 104 N C -1.922 173.662 175.510 0.122 0.000 1.008 104 N CA -0.550 52.570 53.050 0.117 0.000 1.120 104 N CB 0.351 38.896 38.487 0.098 0.000 1.499 104 N HN 0.265 nan 8.380 nan 0.000 0.865 105 V N 1.185 121.149 119.914 0.083 0.000 2.766 105 V HA 0.289 4.410 4.120 0.003 0.000 0.286 105 V C -1.345 174.791 176.094 0.069 0.000 1.237 105 V CA -0.523 61.797 62.300 0.033 0.000 0.934 105 V CB 1.404 33.153 31.823 -0.123 0.000 1.068 105 V HN 1.050 nan 8.190 nan 0.000 0.451 106 H N 5.660 124.732 119.070 0.004 0.000 2.469 106 H HA 0.871 5.429 4.556 0.003 0.000 0.342 106 H C -0.716 174.620 175.328 0.014 0.000 1.115 106 H CA -0.590 55.462 56.048 0.007 0.000 1.204 106 H CB 1.579 31.348 29.762 0.011 0.000 1.492 106 H HN 0.617 nan 8.280 nan 0.000 0.499 107 M N 3.855 123.035 119.600 -0.699 0.000 2.395 107 M HA 0.365 4.847 4.480 0.003 0.000 0.307 107 M C -1.259 174.723 176.300 -0.530 0.000 1.091 107 M CA -0.785 54.217 55.300 -0.495 0.000 0.919 107 M CB 2.761 35.237 32.600 -0.206 0.000 1.662 107 M HN 0.672 nan 8.290 nan 0.000 0.440 108 E N 0.949 121.002 120.200 -0.245 0.000 2.293 108 E HA 0.828 5.180 4.350 0.003 0.000 0.270 108 E C -1.192 175.458 176.600 0.082 0.000 0.879 108 E CA -0.948 55.420 56.400 -0.054 0.000 0.756 108 E CB 2.148 31.877 29.700 0.049 0.000 1.208 108 E HN 0.695 nan 8.360 nan 0.000 0.428 109 S N 1.472 117.227 115.700 0.091 0.000 2.638 109 S HA 0.609 5.081 4.470 0.003 0.000 0.274 109 S C -0.960 173.721 174.600 0.134 0.000 1.157 109 S CA -1.069 57.218 58.200 0.144 0.000 0.826 109 S CB 1.719 64.935 63.200 0.026 0.000 1.139 109 S HN 0.585 nan 8.310 nan 0.000 0.474 110 E N 0.270 120.553 120.200 0.138 0.000 2.292 110 E HA 0.504 4.856 4.350 0.003 0.000 0.272 110 E C -1.400 175.123 176.600 -0.129 0.000 0.881 110 E CA -0.912 55.473 56.400 -0.025 0.000 0.754 110 E CB 2.583 32.245 29.700 -0.063 0.000 1.201 110 E HN 0.560 nan 8.360 nan 0.000 0.425 111 V N 4.037 123.848 119.914 -0.173 0.000 2.649 111 V HA 0.319 4.441 4.120 0.003 0.000 0.292 111 V C -1.443 174.501 176.094 -0.250 0.000 1.055 111 V CA 0.122 62.346 62.300 -0.127 0.000 1.023 111 V CB 0.233 32.026 31.823 -0.050 0.000 0.992 111 V HN 0.558 nan 8.190 nan 0.000 0.480 112 Y N 3.946 124.192 120.300 -0.091 0.000 2.391 112 Y HA 0.492 5.043 4.550 0.003 0.000 0.341 112 Y C 0.288 176.284 175.900 0.160 0.000 0.965 112 Y CA -0.900 57.202 58.100 0.002 0.000 1.067 112 Y CB 1.599 40.001 38.460 -0.098 0.000 1.199 112 Y HN 0.656 nan 8.280 nan 0.000 0.450 113 D N 1.441 122.020 120.400 0.298 0.000 2.339 113 D HA 0.266 4.908 4.640 0.003 0.000 0.245 113 D C -0.551 175.937 176.300 0.314 0.000 1.115 113 D CA 0.238 54.383 54.000 0.243 0.000 0.917 113 D CB 1.269 42.148 40.800 0.132 0.000 1.192 113 D HN 0.441 nan 8.370 nan 0.000 0.428 114 T N 2.008 116.649 114.554 0.144 0.000 3.038 114 T HA 0.386 4.738 4.350 0.003 0.000 0.344 114 T C -2.318 172.274 174.700 -0.180 0.000 1.054 114 T CA -1.121 60.922 62.100 -0.095 0.000 1.092 114 T CB 1.523 70.325 68.868 -0.110 0.000 1.031 114 T HN 0.084 nan 8.240 nan 0.000 0.482 115 P HA 0.284 nan 4.420 nan 0.000 0.272 115 P C 1.097 178.227 177.300 -0.282 0.000 1.254 115 P CA -0.433 62.558 63.100 -0.181 0.000 0.795 115 P CB 0.867 32.496 31.700 -0.118 0.000 1.022 116 E N 0.534 120.584 120.200 -0.250 0.000 2.097 116 E HA -0.266 4.085 4.350 0.003 0.000 0.196 116 E C 1.639 178.055 176.600 -0.306 0.000 1.000 116 E CA 1.978 58.182 56.400 -0.327 0.000 0.804 116 E CB -0.665 28.927 29.700 -0.181 0.000 0.740 116 E HN 0.572 nan 8.360 nan 0.000 0.454 117 N N -0.472 118.113 118.700 -0.191 0.000 2.289 117 N HA -0.152 4.590 4.740 0.003 0.000 0.184 117 N C 1.315 176.709 175.510 -0.194 0.000 1.016 117 N CA 1.242 54.207 53.050 -0.143 0.000 0.872 117 N CB 0.002 38.438 38.487 -0.084 0.000 0.973 117 N HN 0.091 nan 8.380 nan 0.000 0.433 118 I N -0.134 120.264 120.570 -0.287 0.000 2.339 118 I HA -0.022 4.149 4.170 0.003 0.000 0.245 118 I C 2.128 177.978 176.117 -0.445 0.000 1.096 118 I CA 0.506 61.603 61.300 -0.339 0.000 1.408 118 I CB -1.222 36.493 38.000 -0.476 0.000 1.092 118 I HN 0.106 nan 8.210 nan 0.000 0.423 119 V N 0.449 119.967 119.914 -0.659 0.000 2.667 119 V HA -0.212 3.910 4.120 0.003 0.000 0.252 119 V C 1.840 177.508 176.094 -0.709 0.000 1.065 119 V CA 1.679 63.370 62.300 -1.016 0.000 1.083 119 V CB -0.719 30.294 31.823 -1.349 0.000 0.692 119 V HN 0.489 nan 8.190 nan 0.000 0.468 120 H N -1.743 117.054 119.070 -0.455 0.000 2.594 120 H HA 0.337 4.895 4.556 0.003 0.000 0.279 120 H C 1.286 176.463 175.328 -0.252 0.000 1.042 120 H CA 0.024 55.864 56.048 -0.347 0.000 1.177 120 H CB 0.521 30.134 29.762 -0.248 0.000 1.524 120 H HN 0.506 nan 8.280 nan 0.000 0.537 121 G N 0.599 109.320 108.800 -0.132 0.000 2.714 121 G HA2 0.155 4.117 3.960 0.003 0.000 0.197 121 G HA3 0.155 4.117 3.960 0.003 0.000 0.197 121 G C 0.107 174.981 174.900 -0.045 0.000 1.449 121 G CA -0.268 44.787 45.100 -0.075 0.000 1.065 121 G HN 0.302 nan 8.290 nan 0.000 0.575 122 S N -1.054 114.644 115.700 -0.003 0.000 2.617 122 S HA 0.439 4.910 4.470 0.003 0.000 0.269 122 S C 1.565 176.217 174.600 0.087 0.000 1.292 122 S CA 0.286 58.517 58.200 0.051 0.000 1.010 122 S CB 1.263 64.498 63.200 0.057 0.000 0.944 122 S HN 0.990 nan 8.310 nan 0.000 0.536 123 G N 1.138 110.047 108.800 0.182 0.000 2.432 123 G HA2 -0.151 3.811 3.960 0.003 0.000 0.219 123 G HA3 -0.151 3.811 3.960 0.003 0.000 0.219 123 G C 1.473 176.581 174.900 0.346 0.000 1.135 123 G CA 0.808 46.097 45.100 0.315 0.000 0.767 123 G HN 0.681 nan 8.290 nan 0.000 0.550 124 S N -0.088 115.752 115.700 0.232 0.000 2.351 124 S HA -0.190 4.281 4.470 0.003 0.000 0.220 124 S C 2.310 177.003 174.600 0.156 0.000 1.035 124 S CA 1.746 60.060 58.200 0.191 0.000 1.031 124 S CB -0.325 62.941 63.200 0.110 0.000 0.928 124 S HN 0.606 nan 8.310 nan 0.000 0.433 125 Q N 0.151 120.010 119.800 0.098 0.000 2.197 125 Q HA -0.169 4.173 4.340 0.003 0.000 0.207 125 Q C 2.059 178.091 176.000 0.055 0.000 0.984 125 Q CA 1.427 57.269 55.803 0.064 0.000 0.869 125 Q CB -0.204 28.549 28.738 0.025 0.000 0.906 125 Q HN 0.477 nan 8.270 nan 0.000 0.426 126 L N -0.690 120.536 121.223 0.004 0.000 2.068 126 L HA 0.020 4.362 4.340 0.003 0.000 0.204 126 L C 1.594 178.396 176.870 -0.114 0.000 1.076 126 L CA 1.606 56.370 54.840 -0.127 0.000 0.753 126 L CB -0.449 41.449 42.059 -0.270 0.000 0.910 126 L HN 0.215 nan 8.230 nan 0.000 0.439 127 F N -0.061 119.952 119.950 0.104 0.000 2.367 127 F HA -0.075 4.454 4.527 0.003 0.000 0.298 127 F C 2.244 178.075 175.800 0.051 0.000 1.094 127 F CA 0.964 58.999 58.000 0.057 0.000 1.409 127 F CB -0.654 38.350 39.000 0.007 0.000 1.064 127 F HN 0.138 nan 8.300 nan 0.000 0.528 128 D N -0.775 119.747 120.400 0.203 0.000 2.117 128 D HA -0.222 4.420 4.640 0.003 0.000 0.197 128 D C 2.040 178.412 176.300 0.120 0.000 0.987 128 D CA 1.518 55.598 54.000 0.134 0.000 0.829 128 D CB -0.492 40.374 40.800 0.110 0.000 0.961 128 D HN 0.346 nan 8.370 nan 0.000 0.460 129 H N 0.384 119.485 119.070 0.053 0.000 2.289 129 H HA -0.105 4.453 4.556 0.003 0.000 0.296 129 H C 2.032 177.409 175.328 0.082 0.000 1.091 129 H CA 1.939 58.017 56.048 0.050 0.000 1.274 129 H CB -0.217 29.551 29.762 0.010 0.000 1.364 129 H HN -0.090 nan 8.280 nan 0.000 0.490 130 V N 0.568 120.535 119.914 0.089 0.000 2.332 130 V HA -0.273 3.849 4.120 0.003 0.000 0.248 130 V C 2.666 178.824 176.094 0.106 0.000 1.055 130 V CA 1.780 64.140 62.300 0.099 0.000 1.038 130 V CB -1.147 30.725 31.823 0.081 0.000 0.651 130 V HN 0.716 nan 8.190 nan 0.000 0.450 131 A N -0.868 122.017 122.820 0.109 0.000 2.014 131 A HA -0.177 4.145 4.320 0.003 0.000 0.218 131 A C 2.271 179.943 177.584 0.148 0.000 1.163 131 A CA 1.483 53.616 52.037 0.160 0.000 0.652 131 A CB -0.362 18.709 19.000 0.119 0.000 0.808 131 A HN 0.619 nan 8.150 nan 0.000 0.449 132 E N -0.598 119.620 120.200 0.030 0.000 2.152 132 E HA -0.142 4.210 4.350 0.003 0.000 0.192 132 E C 1.633 178.161 176.600 -0.120 0.000 0.983 132 E CA 1.314 57.705 56.400 -0.014 0.000 0.818 132 E CB -0.152 29.530 29.700 -0.030 0.000 0.758 132 E HN 0.639 nan 8.360 nan 0.000 0.467 133 C N 0.471 119.610 119.300 -0.270 0.000 2.464 133 C HA -0.003 4.459 4.460 0.003 0.000 0.278 133 C C 2.454 177.171 174.990 -0.454 0.000 1.375 133 C CA -0.120 58.524 59.018 -0.624 0.000 1.761 133 C CB -0.833 26.237 27.740 -1.116 0.000 1.944 133 C HN 0.473 nan 8.230 nan 0.000 0.509 134 L N 2.176 123.297 121.223 -0.170 0.000 2.093 134 L HA 0.108 4.450 4.340 0.003 0.000 0.208 134 L C 2.349 179.091 176.870 -0.214 0.000 1.085 134 L CA 2.312 57.087 54.840 -0.108 0.000 0.755 134 L CB -1.272 40.801 42.059 0.024 0.000 0.904 134 L HN 0.305 nan 8.230 nan 0.000 0.435 135 G N -1.075 107.598 108.800 -0.212 0.000 2.414 135 G HA2 -0.302 3.660 3.960 0.003 0.000 0.215 135 G HA3 -0.302 3.660 3.960 0.003 0.000 0.215 135 G C 1.418 176.229 174.900 -0.148 0.000 1.188 135 G CA 0.702 45.603 45.100 -0.330 0.000 0.783 135 G HN 0.485 nan 8.290 nan 0.000 0.537 136 D N -0.051 120.325 120.400 -0.041 0.000 2.116 136 D HA -0.185 4.457 4.640 0.003 0.000 0.193 136 D C 2.111 178.453 176.300 0.070 0.000 0.998 136 D CA 0.941 54.964 54.000 0.038 0.000 0.836 136 D CB -0.202 40.673 40.800 0.124 0.000 0.951 136 D HN 0.234 nan 8.370 nan 0.000 0.449 137 F N 1.081 121.024 119.950 -0.012 0.000 2.043 137 F HA -0.229 4.300 4.527 0.003 0.000 0.297 137 F C 2.602 178.377 175.800 -0.041 0.000 1.121 137 F CA 1.889 59.910 58.000 0.035 0.000 1.199 137 F CB -0.330 38.679 39.000 0.015 0.000 0.968 137 F HN -0.074 nan 8.300 nan 0.000 0.478 138 M N -0.414 119.213 119.600 0.045 0.000 2.254 138 M HA -0.126 4.356 4.480 0.003 0.000 0.265 138 M C 2.037 178.265 176.300 -0.120 0.000 1.066 138 M CA 1.671 56.941 55.300 -0.051 0.000 1.123 138 M CB -0.563 31.975 32.600 -0.104 0.000 1.388 138 M HN 0.179 nan 8.290 nan 0.000 0.425 139 E N 1.682 121.813 120.200 -0.114 0.000 2.033 139 E HA -0.215 4.137 4.350 0.003 0.000 0.199 139 E C 1.629 178.173 176.600 -0.094 0.000 1.011 139 E CA 1.928 58.279 56.400 -0.082 0.000 0.815 139 E CB -0.120 29.549 29.700 -0.053 0.000 0.755 139 E HN 0.338 nan 8.360 nan 0.000 0.451 140 K N -0.656 119.671 120.400 -0.122 0.000 2.362 140 K HA -0.005 4.316 4.320 0.003 0.000 0.200 140 K C 2.070 178.570 176.600 -0.167 0.000 1.046 140 K CA 1.053 57.259 56.287 -0.134 0.000 0.952 140 K CB 0.026 32.441 32.500 -0.141 0.000 0.753 140 K HN 0.020 nan 8.250 nan 0.000 0.466 141 R N 0.036 120.407 120.500 -0.215 0.000 2.334 141 R HA 0.115 4.457 4.340 0.003 0.000 0.212 141 R C -0.404 175.829 176.300 -0.112 0.000 0.897 141 R CA 0.001 55.989 56.100 -0.188 0.000 1.056 141 R CB 0.429 30.573 30.300 -0.260 0.000 1.046 141 R HN -0.130 nan 8.270 nan 0.000 0.513 142 K N 0.335 120.678 120.400 -0.095 0.000 3.239 142 K HA -0.143 4.179 4.320 0.003 0.000 0.270 142 K C -0.108 176.464 176.600 -0.046 0.000 1.049 142 K CA 0.721 56.972 56.287 -0.060 0.000 0.769 142 K CB -1.410 31.062 32.500 -0.048 0.000 1.305 142 K HN 0.399 nan 8.250 nan 0.000 0.469 143 I N -3.825 116.719 120.570 -0.044 0.000 4.147 143 I HA 0.134 4.306 4.170 0.003 0.000 0.329 143 I C 1.387 177.499 176.117 -0.009 0.000 1.424 143 I CA -0.715 60.572 61.300 -0.021 0.000 1.127 143 I CB 0.503 38.499 38.000 -0.006 0.000 1.128 143 I HN 0.007 nan 8.210 nan 0.000 0.417 144 K N 2.375 122.765 120.400 -0.016 0.000 2.144 144 K HA -0.247 4.075 4.320 0.003 0.000 0.209 144 K C 1.047 177.674 176.600 0.046 0.000 1.047 144 K CA 2.619 58.913 56.287 0.011 0.000 0.927 144 K CB -0.256 32.255 32.500 0.019 0.000 0.716 144 K HN 0.735 nan 8.250 nan 0.000 0.454 145 D N -1.036 119.379 120.400 0.026 0.000 2.407 145 D HA -0.001 4.641 4.640 0.003 0.000 0.208 145 D C 1.006 177.314 176.300 0.014 0.000 1.083 145 D CA 0.000 54.016 54.000 0.027 0.000 0.844 145 D CB 0.161 40.972 40.800 0.018 0.000 0.967 145 D HN -0.067 nan 8.370 nan 0.000 0.506 146 K N 1.301 121.702 120.400 0.003 0.000 2.555 146 K HA -0.082 4.240 4.320 0.003 0.000 0.193 146 K C 0.032 176.621 176.600 -0.018 0.000 1.032 146 K CA 0.364 56.642 56.287 -0.014 0.000 1.004 146 K CB -0.401 32.084 32.500 -0.026 0.000 0.804 146 K HN 0.336 nan 8.250 nan 0.000 0.496 147 K N 0.982 121.387 120.400 0.008 0.000 4.462 147 K HA -0.193 4.128 4.320 0.003 0.000 0.278 147 K C -0.950 175.643 176.600 -0.011 0.000 0.789 147 K CA 0.539 56.838 56.287 0.020 0.000 0.765 147 K CB -1.868 30.654 32.500 0.036 0.000 1.839 147 K HN 0.133 nan 8.250 nan 0.000 0.418 148 L N 2.203 123.417 121.223 -0.015 0.000 2.292 148 L HA 0.444 4.786 4.340 0.003 0.000 0.284 148 L C -1.818 175.055 176.870 0.005 0.000 1.065 148 L CA -2.785 52.018 54.840 -0.062 0.000 0.806 148 L CB 0.840 42.855 42.059 -0.074 0.000 1.175 148 L HN 0.288 nan 8.230 nan 0.000 0.431 149 P HA 0.044 nan 4.420 nan 0.000 0.266 149 P C -0.734 176.664 177.300 0.163 0.000 1.195 149 P CA -0.136 63.028 63.100 0.106 0.000 0.768 149 P CB 0.671 32.435 31.700 0.106 0.000 0.838 150 V N 2.777 122.776 119.914 0.142 0.000 2.483 150 V HA 0.683 4.805 4.120 0.003 0.000 0.295 150 V C 0.799 176.971 176.094 0.130 0.000 1.035 150 V CA -0.322 62.054 62.300 0.127 0.000 0.896 150 V CB 1.693 33.573 31.823 0.096 0.000 0.986 150 V HN 0.740 nan 8.190 nan 0.000 0.447 151 G N 2.682 111.563 108.800 0.135 0.000 2.470 151 G HA2 0.610 4.572 3.960 0.003 0.000 0.320 151 G HA3 0.610 4.572 3.960 0.003 0.000 0.320 151 G C -1.532 173.511 174.900 0.238 0.000 1.245 151 G CA -0.314 44.868 45.100 0.136 0.000 0.935 151 G HN 0.428 nan 8.290 nan 0.000 0.476 152 F N 2.625 122.612 119.950 0.063 0.000 2.366 152 F HA 0.451 4.980 4.527 0.003 0.000 0.366 152 F C 0.369 176.246 175.800 0.128 0.000 1.096 152 F CA -1.116 56.946 58.000 0.102 0.000 1.060 152 F CB 1.618 40.673 39.000 0.092 0.000 1.282 152 F HN 0.261 nan 8.300 nan 0.000 0.450 153 T N 7.522 122.058 114.554 -0.031 0.000 2.776 153 T HA 0.151 4.503 4.350 0.003 0.000 0.292 153 T C -0.813 173.690 174.700 -0.328 0.000 0.921 153 T CA 0.212 62.229 62.100 -0.138 0.000 1.038 153 T CB -0.694 68.135 68.868 -0.065 0.000 0.910 153 T HN 0.368 nan 8.240 nan 0.000 0.536 154 F N 4.421 124.019 119.950 -0.586 0.000 2.325 154 F HA 0.372 4.900 4.527 0.003 0.000 0.369 154 F C 0.582 176.223 175.800 -0.264 0.000 1.095 154 F CA -1.536 56.123 58.000 -0.568 0.000 1.082 154 F CB 0.776 39.303 39.000 -0.789 0.000 1.289 154 F HN 0.400 nan 8.300 nan 0.000 0.462 155 S N 5.498 120.769 115.700 -0.716 0.000 4.183 155 S HA 0.498 4.970 4.470 0.003 0.000 0.195 155 S C -0.840 173.031 174.600 -1.214 0.000 1.421 155 S CA -0.255 57.472 58.200 -0.788 0.000 0.920 155 S CB -1.165 61.652 63.200 -0.638 0.000 1.525 155 S HN 0.409 nan 8.310 nan 0.000 0.447 156 F N 0.702 120.361 119.950 -0.486 0.000 2.631 156 F HA 0.529 5.057 4.527 0.003 0.000 0.308 156 F C -2.648 173.050 175.800 -0.171 0.000 1.097 156 F CA -2.445 55.337 58.000 -0.364 0.000 0.952 156 F CB 1.631 40.278 39.000 -0.588 0.000 1.307 156 F HN 0.047 nan 8.300 nan 0.000 0.450 157 P HA 0.198 nan 4.420 nan 0.000 0.271 157 P C -0.937 176.421 177.300 0.096 0.000 1.226 157 P CA 0.067 63.214 63.100 0.078 0.000 0.765 157 P CB 0.750 32.501 31.700 0.085 0.000 0.835 158 C N 3.018 122.379 119.300 0.102 0.000 2.626 158 C HA 0.396 4.858 4.460 0.003 0.000 0.310 158 C C -0.004 175.037 174.990 0.084 0.000 1.191 158 C CA -0.250 58.835 59.018 0.112 0.000 1.517 158 C CB 1.792 29.634 27.740 0.171 0.000 2.102 158 C HN 0.478 nan 8.230 nan 0.000 0.479 159 Q N 2.296 122.135 119.800 0.065 0.000 2.331 159 Q HA 0.459 4.801 4.340 0.003 0.000 0.257 159 Q C -0.829 175.210 176.000 0.064 0.000 0.957 159 Q CA 0.629 56.470 55.803 0.063 0.000 0.923 159 Q CB 0.532 29.296 28.738 0.042 0.000 1.212 159 Q HN 0.735 nan 8.270 nan 0.000 0.443 160 Q N 1.682 121.542 119.800 0.101 0.000 2.353 160 Q HA 0.427 4.769 4.340 0.003 0.000 0.268 160 Q C -0.139 175.915 176.000 0.091 0.000 1.045 160 Q CA -0.395 55.457 55.803 0.082 0.000 0.811 160 Q CB 1.899 30.723 28.738 0.143 0.000 1.305 160 Q HN 0.799 nan 8.270 nan 0.000 0.447 161 S N 0.967 116.582 115.700 -0.141 0.000 2.559 161 S HA 0.188 4.660 4.470 0.003 0.000 0.226 161 S C -0.055 173.935 174.600 -1.016 0.000 1.000 161 S CA -0.251 57.774 58.200 -0.292 0.000 0.948 161 S CB 0.032 63.140 63.200 -0.154 0.000 0.870 161 S HN 0.632 nan 8.310 nan 0.000 0.497 162 K N -0.882 118.959 120.400 -0.931 0.000 2.607 162 K HA 0.485 4.807 4.320 0.003 0.000 0.287 162 K C -0.215 176.143 176.600 -0.405 0.000 0.996 162 K CA -0.929 54.783 56.287 -0.959 0.000 0.876 162 K CB 0.050 32.254 32.500 -0.494 0.000 1.496 162 K HN -0.115 nan 8.250 nan 0.000 0.415 163 I N 1.404 121.864 120.570 -0.184 0.000 2.567 163 I HA -0.166 4.006 4.170 0.003 0.000 0.257 163 I C 0.483 176.599 176.117 -0.001 0.000 1.184 163 I CA 1.587 62.890 61.300 0.004 0.000 1.451 163 I CB -0.145 37.893 38.000 0.063 0.000 1.089 163 I HN 0.787 nan 8.210 nan 0.000 0.441 164 D N -0.264 120.110 120.400 -0.043 0.000 2.593 164 D HA 0.036 4.678 4.640 0.003 0.000 0.241 164 D C 0.284 176.557 176.300 -0.045 0.000 1.257 164 D CA -0.152 53.835 54.000 -0.023 0.000 0.828 164 D CB -0.051 40.736 40.800 -0.022 0.000 1.049 164 D HN 0.497 nan 8.370 nan 0.000 0.490 165 E N 0.447 120.614 120.200 -0.055 0.000 2.266 165 E HA 0.576 4.928 4.350 0.003 0.000 0.268 165 E C -1.781 174.814 176.600 -0.008 0.000 0.879 165 E CA -1.069 55.298 56.400 -0.054 0.000 0.762 165 E CB 2.281 31.929 29.700 -0.086 0.000 1.199 165 E HN 0.043 nan 8.360 nan 0.000 0.422 166 A N 5.558 128.378 122.820 -0.001 0.000 2.651 166 A HA 0.410 4.732 4.320 0.003 0.000 0.290 166 A C -1.027 176.569 177.584 0.020 0.000 1.185 166 A CA -0.593 51.474 52.037 0.050 0.000 0.746 166 A CB 0.162 19.234 19.000 0.120 0.000 1.213 166 A HN 0.607 nan 8.150 nan 0.000 0.429 167 I N 2.614 123.196 120.570 0.020 0.000 2.312 167 I HA 0.163 4.335 4.170 0.003 0.000 0.291 167 I C 0.085 176.215 176.117 0.021 0.000 1.031 167 I CA -0.626 60.672 61.300 -0.002 0.000 1.293 167 I CB 1.387 39.378 38.000 -0.015 0.000 1.403 167 I HN 0.646 nan 8.210 nan 0.000 0.484 168 L N 8.411 129.633 121.223 -0.002 0.000 2.500 168 L HA 0.138 4.480 4.340 0.003 0.000 0.272 168 L C 0.733 177.565 176.870 -0.064 0.000 1.149 168 L CA 0.848 55.673 54.840 -0.024 0.000 0.897 168 L CB 0.148 42.121 42.059 -0.142 0.000 1.178 168 L HN 0.573 nan 8.230 nan 0.000 0.473 169 I N 2.434 122.988 120.570 -0.026 0.000 2.235 169 I HA 0.002 4.173 4.170 0.003 0.000 0.241 169 I C 0.858 176.943 176.117 -0.054 0.000 1.085 169 I CA 1.018 62.307 61.300 -0.019 0.000 1.378 169 I CB -0.229 37.786 38.000 0.025 0.000 1.076 169 I HN 0.722 nan 8.210 nan 0.000 0.415 170 T N -1.050 113.461 114.554 -0.072 0.000 3.012 170 T HA 0.281 4.633 4.350 0.003 0.000 0.330 170 T C -1.796 172.863 174.700 -0.068 0.000 1.321 170 T CA -0.660 61.399 62.100 -0.067 0.000 1.067 170 T CB 0.518 69.417 68.868 0.052 0.000 1.235 170 T HN 0.118 nan 8.240 nan 0.000 0.479 171 W N 2.897 124.239 121.300 0.070 0.000 2.123 171 W HA 0.458 5.120 4.660 0.003 0.000 0.351 171 W C 1.271 177.907 176.519 0.196 0.000 1.292 171 W CA 0.376 57.750 57.345 0.048 0.000 1.263 171 W CB 0.620 30.107 29.460 0.046 0.000 1.165 171 W HN 0.885 nan 8.180 nan 0.000 0.590 172 T N -1.954 112.996 114.554 0.661 0.000 2.778 172 T HA 0.592 4.944 4.350 0.003 0.000 0.293 172 T C -0.009 175.004 174.700 0.523 0.000 1.144 172 T CA -0.928 61.470 62.100 0.497 0.000 1.010 172 T CB 2.138 71.231 68.868 0.376 0.000 1.325 172 T HN 0.587 nan 8.240 nan 0.000 0.515 173 K N -0.091 120.541 120.400 0.386 0.000 1.751 173 K HA -0.297 4.024 4.320 0.003 0.000 0.134 173 K C 1.561 178.348 176.600 0.310 0.000 1.167 173 K CA 1.683 58.159 56.287 0.316 0.000 0.330 173 K CB -1.017 31.631 32.500 0.246 0.000 0.663 173 K HN 0.693 nan 8.250 nan 0.000 0.817 174 R N -0.095 120.610 120.500 0.341 0.000 2.223 174 R HA 0.187 4.529 4.340 0.003 0.000 0.198 174 R C 0.426 176.891 176.300 0.275 0.000 0.984 174 R CA 0.090 56.358 56.100 0.281 0.000 1.018 174 R CB 0.060 30.456 30.300 0.159 0.000 0.945 174 R HN 0.076 nan 8.270 nan 0.000 0.479 175 F N 1.548 121.547 119.950 0.081 0.000 2.429 175 F HA 0.209 4.738 4.527 0.003 0.000 0.348 175 F C 0.717 176.142 175.800 -0.624 0.000 1.109 175 F CA -0.045 57.795 58.000 -0.268 0.000 1.232 175 F CB 0.861 39.649 39.000 -0.355 0.000 1.157 175 F HN -0.286 nan 8.300 nan 0.000 0.564 176 K N 2.332 122.237 120.400 -0.825 0.000 3.218 176 K HA 0.565 4.887 4.320 0.003 0.000 0.187 176 K C -1.446 174.640 176.600 -0.857 0.000 1.186 176 K CA -0.143 55.505 56.287 -1.065 0.000 0.827 176 K CB 0.423 32.676 32.500 -0.412 0.000 1.083 176 K HN 0.662 nan 8.250 nan 0.000 0.583 177 A N 1.173 123.292 122.820 -1.168 0.000 2.290 177 A HA 0.550 4.872 4.320 0.003 0.000 0.310 177 A C -0.087 177.663 177.584 0.276 0.000 1.202 177 A CA -0.342 51.549 52.037 -0.242 0.000 0.837 177 A CB 1.158 20.078 19.000 -0.133 0.000 1.139 177 A HN 0.413 nan 8.150 nan 0.000 0.509 178 S N 0.438 116.243 115.700 0.175 0.000 2.572 178 S HA 0.457 4.929 4.470 0.003 0.000 0.279 178 S C 1.395 176.136 174.600 0.235 0.000 1.341 178 S CA 0.941 59.265 58.200 0.206 0.000 1.043 178 S CB 0.763 64.031 63.200 0.113 0.000 0.887 178 S HN 2.179 nan 8.310 nan 0.000 0.516 179 G N 0.778 109.699 108.800 0.201 0.000 2.159 179 G HA2 -0.234 3.728 3.960 0.003 0.000 0.256 179 G HA3 -0.234 3.728 3.960 0.003 0.000 0.256 179 G C 0.480 175.485 174.900 0.174 0.000 0.977 179 G CA 0.347 45.542 45.100 0.158 0.000 0.652 179 G HN 0.594 nan 8.290 nan 0.000 0.531 180 V N -0.294 119.765 119.914 0.241 0.000 2.911 180 V HA 0.216 4.338 4.120 0.003 0.000 0.237 180 V C 1.330 177.418 176.094 -0.010 0.000 1.156 180 V CA 0.970 63.381 62.300 0.185 0.000 1.180 180 V CB -0.037 32.040 31.823 0.424 0.000 0.932 180 V HN 0.437 nan 8.190 nan 0.000 0.483 181 E N 1.031 121.194 120.200 -0.062 0.000 2.585 181 E HA 0.295 4.646 4.350 0.003 0.000 0.252 181 E C 1.168 177.741 176.600 -0.045 0.000 0.981 181 E CA 0.958 57.278 56.400 -0.133 0.000 0.943 181 E CB 0.166 29.799 29.700 -0.111 0.000 0.923 181 E HN 0.564 nan 8.360 nan 0.000 0.486 182 G N 2.008 110.775 108.800 -0.055 0.000 2.213 182 G HA2 -0.249 3.712 3.960 0.003 0.000 0.226 182 G HA3 -0.249 3.712 3.960 0.003 0.000 0.226 182 G C 0.219 175.098 174.900 -0.034 0.000 0.992 182 G CA -0.108 44.974 45.100 -0.029 0.000 0.632 182 G HN 0.784 nan 8.290 nan 0.000 0.511 183 A N -0.262 122.530 122.820 -0.046 0.000 2.299 183 A HA 0.676 4.998 4.320 0.003 0.000 0.332 183 A C -0.436 177.096 177.584 -0.087 0.000 1.131 183 A CA 0.254 52.254 52.037 -0.062 0.000 0.844 183 A CB 1.116 20.079 19.000 -0.062 0.000 1.251 183 A HN 0.390 nan 8.150 nan 0.000 0.486 184 D N 0.931 121.266 120.400 -0.109 0.000 2.339 184 D HA 0.190 4.832 4.640 0.003 0.000 0.241 184 D C 0.951 177.122 176.300 -0.215 0.000 1.183 184 D CA 0.138 54.063 54.000 -0.125 0.000 0.859 184 D CB 1.339 42.071 40.800 -0.113 0.000 1.067 184 D HN 0.361 nan 8.370 nan 0.000 0.484 185 V N 4.076 123.838 119.914 -0.254 0.000 3.217 185 V HA -0.088 4.034 4.120 0.003 0.000 0.264 185 V C 1.659 177.421 176.094 -0.553 0.000 1.135 185 V CA 1.677 63.686 62.300 -0.484 0.000 1.142 185 V CB -0.126 31.417 31.823 -0.467 0.000 0.754 185 V HN 0.490 nan 8.190 nan 0.000 0.484 186 V N 0.121 119.832 119.914 -0.338 0.000 2.667 186 V HA -0.114 4.008 4.120 0.003 0.000 0.252 186 V C 2.460 178.377 176.094 -0.294 0.000 1.065 186 V CA 2.259 64.371 62.300 -0.313 0.000 1.083 186 V CB -0.606 31.109 31.823 -0.180 0.000 0.692 186 V HN 0.624 nan 8.190 nan 0.000 0.468 187 K N -0.245 119.995 120.400 -0.267 0.000 2.167 187 K HA 0.121 4.443 4.320 0.003 0.000 0.203 187 K C 2.068 178.494 176.600 -0.290 0.000 1.052 187 K CA 1.272 57.424 56.287 -0.225 0.000 0.956 187 K CB -0.136 32.261 32.500 -0.172 0.000 0.735 187 K HN 0.460 nan 8.250 nan 0.000 0.451 188 L N 0.984 121.946 121.223 -0.434 0.000 2.141 188 L HA -0.122 4.219 4.340 0.003 0.000 0.209 188 L C 2.366 178.889 176.870 -0.579 0.000 1.094 188 L CA 0.714 55.224 54.840 -0.550 0.000 0.763 188 L CB -0.269 41.299 42.059 -0.819 0.000 0.908 188 L HN 0.197 nan 8.230 nan 0.000 0.437 189 L N -0.250 120.599 121.223 -0.624 0.000 2.007 189 L HA -0.169 4.173 4.340 0.003 0.000 0.205 189 L C 2.376 179.107 176.870 -0.232 0.000 1.073 189 L CA 1.214 55.815 54.840 -0.398 0.000 0.744 189 L CB -0.389 41.403 42.059 -0.445 0.000 0.898 189 L HN 0.335 nan 8.230 nan 0.000 0.435 190 N N 0.518 119.079 118.700 -0.232 0.000 2.096 190 N HA -0.309 4.433 4.740 0.003 0.000 0.195 190 N C 1.679 177.099 175.510 -0.151 0.000 1.017 190 N CA 1.526 54.474 53.050 -0.171 0.000 0.870 190 N CB -0.381 38.014 38.487 -0.154 0.000 1.024 190 N HN 0.301 nan 8.380 nan 0.000 0.434 191 K N 0.658 120.964 120.400 -0.157 0.000 2.057 191 K HA -0.033 4.289 4.320 0.003 0.000 0.207 191 K C 1.882 178.429 176.600 -0.088 0.000 1.049 191 K CA 1.298 57.516 56.287 -0.115 0.000 0.931 191 K CB -0.100 32.332 32.500 -0.112 0.000 0.714 191 K HN 0.153 nan 8.250 nan 0.000 0.440 192 A N 1.287 124.060 122.820 -0.078 0.000 1.898 192 A HA -0.111 4.211 4.320 0.003 0.000 0.216 192 A C 2.111 179.660 177.584 -0.058 0.000 1.181 192 A CA 1.224 53.248 52.037 -0.021 0.000 0.620 192 A CB -0.430 18.610 19.000 0.067 0.000 0.819 192 A HN 0.312 nan 8.150 nan 0.000 0.442 193 I N -0.869 119.634 120.570 -0.112 0.000 2.202 193 I HA -0.208 3.963 4.170 0.003 0.000 0.242 193 I C 2.593 178.568 176.117 -0.237 0.000 1.091 193 I CA 1.232 62.396 61.300 -0.227 0.000 1.368 193 I CB -0.215 37.617 38.000 -0.279 0.000 1.058 193 I HN 0.213 nan 8.210 nan 0.000 0.410 194 K N 1.515 121.812 120.400 -0.171 0.000 2.063 194 K HA -0.268 4.054 4.320 0.003 0.000 0.208 194 K C 2.087 178.624 176.600 -0.105 0.000 1.048 194 K CA 1.698 57.903 56.287 -0.136 0.000 0.928 194 K CB -0.257 32.181 32.500 -0.103 0.000 0.713 194 K HN 0.203 nan 8.250 nan 0.000 0.442 195 K N 1.186 121.537 120.400 -0.082 0.000 2.152 195 K HA -0.170 4.152 4.320 0.003 0.000 0.206 195 K C 0.378 176.950 176.600 -0.047 0.000 1.048 195 K CA 1.037 57.294 56.287 -0.050 0.000 0.933 195 K CB 0.016 32.501 32.500 -0.025 0.000 0.721 195 K HN 0.095 nan 8.250 nan 0.000 0.447 196 R N -0.884 119.575 120.500 -0.069 0.000 2.239 196 R HA 0.285 4.627 4.340 0.003 0.000 0.332 196 R C 0.731 176.974 176.300 -0.096 0.000 0.988 196 R CA -0.184 55.886 56.100 -0.049 0.000 0.859 196 R CB 1.216 31.510 30.300 -0.009 0.000 1.148 196 R HN 0.048 nan 8.270 nan 0.000 0.482 197 G N 2.161 110.926 108.800 -0.058 0.000 2.653 197 G HA2 -0.233 3.729 3.960 0.003 0.000 0.212 197 G HA3 -0.233 3.729 3.960 0.003 0.000 0.212 197 G C 0.408 175.280 174.900 -0.045 0.000 1.138 197 G CA 0.421 45.483 45.100 -0.063 0.000 0.782 197 G HN 0.719 nan 8.290 nan 0.000 0.535 198 D N -0.506 119.894 120.400 0.001 0.000 2.157 198 D HA -0.088 4.554 4.640 0.003 0.000 0.191 198 D C 0.780 177.203 176.300 0.206 0.000 1.004 198 D CA 1.838 55.920 54.000 0.136 0.000 0.854 198 D CB -0.035 40.926 40.800 0.268 0.000 0.936 198 D HN 0.638 nan 8.370 nan 0.000 0.446 199 Y N -2.871 117.432 120.300 0.005 0.000 2.744 199 Y HA 0.608 5.160 4.550 0.003 0.000 0.330 199 Y C -1.531 174.371 175.900 0.003 0.000 1.263 199 Y CA -1.646 56.459 58.100 0.007 0.000 1.065 199 Y CB 0.874 39.343 38.460 0.015 0.000 1.306 199 Y HN -0.350 nan 8.280 nan 0.000 0.459 200 D N 0.339 120.792 120.400 0.089 0.000 2.433 200 D HA 0.750 5.392 4.640 0.003 0.000 0.236 200 D C -1.468 174.937 176.300 0.176 0.000 1.026 200 D CA -0.403 53.594 54.000 -0.005 0.000 0.884 200 D CB 2.175 42.958 40.800 -0.028 0.000 1.384 200 D HN 1.004 nan 8.370 nan 0.000 0.477 201 A N 2.534 125.412 122.820 0.096 0.000 2.335 201 A HA 0.425 4.746 4.320 0.003 0.000 0.304 201 A C -0.736 176.888 177.584 0.067 0.000 1.118 201 A CA -0.805 51.321 52.037 0.148 0.000 0.757 201 A CB 0.838 19.973 19.000 0.225 0.000 1.188 201 A HN 0.442 nan 8.150 nan 0.000 0.460 202 N N 2.832 121.581 118.700 0.082 0.000 2.663 202 N HA 0.196 4.938 4.740 0.003 0.000 0.250 202 N C -0.692 174.867 175.510 0.080 0.000 1.129 202 N CA -0.244 52.852 53.050 0.078 0.000 0.995 202 N CB -0.298 38.262 38.487 0.122 0.000 1.324 202 N HN 0.585 nan 8.380 nan 0.000 0.512 203 I N 3.449 124.040 120.570 0.035 0.000 2.573 203 I HA -0.084 4.088 4.170 0.003 0.000 0.295 203 I C 1.447 177.591 176.117 0.044 0.000 1.141 203 I CA -0.130 61.183 61.300 0.022 0.000 1.364 203 I CB 0.408 38.373 38.000 -0.058 0.000 1.447 203 I HN 0.379 nan 8.210 nan 0.000 0.571 204 V N 3.383 123.349 119.914 0.086 0.000 3.621 204 V HA 0.622 4.744 4.120 0.003 0.000 0.285 204 V C 0.598 176.731 176.094 0.066 0.000 1.346 204 V CA 0.345 62.694 62.300 0.083 0.000 1.104 204 V CB -0.069 31.843 31.823 0.148 0.000 0.913 204 V HN 0.622 nan 8.190 nan 0.000 0.432 205 A N -0.367 122.501 122.820 0.080 0.000 2.589 205 A HA 0.799 5.121 4.320 0.003 0.000 0.296 205 A C -1.197 176.468 177.584 0.135 0.000 1.062 205 A CA -0.372 51.713 52.037 0.081 0.000 0.686 205 A CB 2.020 21.056 19.000 0.060 0.000 1.282 205 A HN 0.484 nan 8.150 nan 0.000 0.404 206 V N 1.020 121.015 119.914 0.135 0.000 2.680 206 V HA 0.814 4.936 4.120 0.003 0.000 0.309 206 V C -0.514 175.648 176.094 0.113 0.000 1.052 206 V CA -0.636 61.775 62.300 0.185 0.000 0.908 206 V CB 1.673 33.631 31.823 0.224 0.000 1.001 206 V HN 0.897 nan 8.190 nan 0.000 0.431 207 V N 3.280 123.240 119.914 0.076 0.000 2.971 207 V HA 0.437 4.559 4.120 0.003 0.000 0.309 207 V C -0.232 175.854 176.094 -0.013 0.000 1.130 207 V CA -0.728 61.589 62.300 0.029 0.000 0.964 207 V CB 2.314 34.147 31.823 0.016 0.000 1.029 207 V HN 0.991 nan 8.190 nan 0.000 0.427 208 N N 2.150 120.829 118.700 -0.034 0.000 2.424 208 N HA 0.040 4.782 4.740 0.003 0.000 0.257 208 N C 0.447 175.891 175.510 -0.110 0.000 1.250 208 N CA 0.165 53.160 53.050 -0.090 0.000 0.946 208 N CB 1.520 39.956 38.487 -0.085 0.000 1.175 208 N HN 0.863 nan 8.380 nan 0.000 0.477 209 D N 0.120 120.428 120.400 -0.155 0.000 2.219 209 D HA -0.174 4.468 4.640 0.003 0.000 0.205 209 D C 1.709 177.941 176.300 -0.113 0.000 0.970 209 D CA 1.717 55.636 54.000 -0.135 0.000 0.851 209 D CB -0.872 39.835 40.800 -0.155 0.000 0.943 209 D HN 0.698 nan 8.370 nan 0.000 0.488 210 T N -0.948 113.531 114.554 -0.125 0.000 2.708 210 T HA -0.138 4.214 4.350 0.003 0.000 0.266 210 T C 2.197 176.844 174.700 -0.088 0.000 1.037 210 T CA 1.445 63.474 62.100 -0.118 0.000 1.146 210 T CB -0.974 67.802 68.868 -0.153 0.000 0.865 210 T HN 0.080 nan 8.240 nan 0.000 0.435 211 V N 2.106 121.972 119.914 -0.079 0.000 2.343 211 V HA 0.005 4.126 4.120 0.003 0.000 0.247 211 V C 3.137 179.205 176.094 -0.044 0.000 1.051 211 V CA 1.839 64.103 62.300 -0.059 0.000 1.036 211 V CB -1.573 30.218 31.823 -0.053 0.000 0.654 211 V HN 0.692 nan 8.190 nan 0.000 0.451 212 G N -0.430 108.342 108.800 -0.046 0.000 2.418 212 G HA2 -0.246 3.715 3.960 0.003 0.000 0.217 212 G HA3 -0.246 3.715 3.960 0.003 0.000 0.217 212 G C 1.687 176.567 174.900 -0.033 0.000 1.158 212 G CA 1.543 46.621 45.100 -0.038 0.000 0.771 212 G HN 0.457 nan 8.290 nan 0.000 0.545 213 T N 0.955 115.484 114.554 -0.042 0.000 2.635 213 T HA -0.230 4.122 4.350 0.003 0.000 0.267 213 T C 2.258 176.946 174.700 -0.019 0.000 1.040 213 T CA 1.608 63.688 62.100 -0.034 0.000 1.156 213 T CB -0.254 68.585 68.868 -0.048 0.000 0.863 213 T HN 0.283 nan 8.240 nan 0.000 0.430 214 M N 0.200 119.785 119.600 -0.025 0.000 2.159 214 M HA -0.082 4.400 4.480 0.003 0.000 0.263 214 M C 1.973 178.275 176.300 0.003 0.000 1.063 214 M CA 1.588 56.880 55.300 -0.013 0.000 1.110 214 M CB -0.186 32.400 32.600 -0.022 0.000 1.374 214 M HN 0.163 nan 8.290 nan 0.000 0.411 215 M N -0.753 118.848 119.600 0.000 0.000 2.254 215 M HA -0.095 4.387 4.480 0.003 0.000 0.265 215 M C 1.963 178.293 176.300 0.051 0.000 1.066 215 M CA 1.439 56.753 55.300 0.023 0.000 1.123 215 M CB -1.409 31.196 32.600 0.008 0.000 1.388 215 M HN 0.291 nan 8.290 nan 0.000 0.425 216 T N 0.679 115.247 114.554 0.024 0.000 2.701 216 T HA -0.135 4.217 4.350 0.003 0.000 0.263 216 T C 1.982 176.721 174.700 0.064 0.000 1.040 216 T CA 1.541 63.655 62.100 0.023 0.000 1.147 216 T CB -0.417 68.447 68.868 -0.007 0.000 0.865 216 T HN 0.432 nan 8.240 nan 0.000 0.426 217 C N 1.454 120.780 119.300 0.043 0.000 2.419 217 C HA 0.081 4.542 4.460 0.003 0.000 0.281 217 C C 2.949 177.974 174.990 0.059 0.000 1.336 217 C CA 0.335 59.381 59.018 0.047 0.000 1.770 217 C CB -1.559 26.198 27.740 0.028 0.000 1.929 217 C HN 0.734 nan 8.230 nan 0.000 0.509 218 G N -1.897 106.942 108.800 0.065 0.000 2.623 218 G HA2 -0.136 3.826 3.960 0.003 0.000 0.214 218 G HA3 -0.136 3.826 3.960 0.003 0.000 0.214 218 G C 1.242 176.185 174.900 0.072 0.000 1.138 218 G CA 0.139 45.270 45.100 0.051 0.000 0.794 218 G HN 0.581 nan 8.290 nan 0.000 0.535 219 Y N 1.296 121.593 120.300 -0.005 0.000 2.274 219 Y HA -0.077 4.474 4.550 0.003 0.000 0.290 219 Y C 1.807 177.708 175.900 0.001 0.000 1.145 219 Y CA 1.851 59.952 58.100 0.002 0.000 1.203 219 Y CB 0.426 38.889 38.460 0.006 0.000 0.984 219 Y HN 0.169 nan 8.280 nan 0.000 0.533 220 D N -1.244 119.243 120.400 0.145 0.000 2.388 220 D HA 0.023 4.665 4.640 0.003 0.000 0.208 220 D C -0.336 175.962 176.300 -0.004 0.000 1.035 220 D CA 0.598 54.642 54.000 0.074 0.000 0.875 220 D CB 0.307 41.169 40.800 0.103 0.000 0.984 220 D HN 0.225 nan 8.370 nan 0.000 0.508 221 D N 0.876 121.267 120.400 -0.014 0.000 2.473 221 D HA 0.072 4.714 4.640 0.003 0.000 0.253 221 D C 0.797 177.062 176.300 -0.057 0.000 1.233 221 D CA -0.283 53.676 54.000 -0.069 0.000 0.908 221 D CB 1.167 41.917 40.800 -0.084 0.000 1.170 221 D HN -0.341 nan 8.370 nan 0.000 0.558 222 Q N 1.466 121.235 119.800 -0.052 0.000 2.508 222 Q HA -0.117 4.225 4.340 0.003 0.000 0.214 222 Q C 0.316 176.418 176.000 0.171 0.000 0.979 222 Q CA 1.039 56.868 55.803 0.044 0.000 0.911 222 Q CB -0.242 28.535 28.738 0.066 0.000 0.969 222 Q HN 0.714 nan 8.270 nan 0.000 0.504 223 H N -2.333 116.721 119.070 -0.026 0.000 2.505 223 H HA 0.226 4.784 4.556 0.003 0.000 0.286 223 H C 0.135 175.443 175.328 -0.033 0.000 1.072 223 H CA -0.840 55.191 56.048 -0.029 0.000 1.141 223 H CB 0.223 29.966 29.762 -0.033 0.000 1.550 223 H HN 0.012 nan 8.280 nan 0.000 0.547 224 C N 2.208 121.534 119.300 0.043 0.000 2.627 224 C HA 0.039 4.501 4.460 0.003 0.000 0.404 224 C C 1.112 176.116 174.990 0.022 0.000 1.340 224 C CA 0.247 59.272 59.018 0.012 0.000 1.758 224 C CB -0.641 27.099 27.740 -0.000 0.000 2.501 224 C HN 0.684 nan 8.230 nan 0.000 0.588 225 E N 2.995 123.206 120.200 0.019 0.000 2.676 225 E HA 0.223 4.575 4.350 0.003 0.000 0.225 225 E C -0.575 176.055 176.600 0.049 0.000 0.944 225 E CA 0.002 56.422 56.400 0.033 0.000 1.156 225 E CB 1.032 30.761 29.700 0.048 0.000 1.117 225 E HN 0.533 nan 8.360 nan 0.000 0.523 226 V N 0.472 120.401 119.914 0.024 0.000 2.823 226 V HA 0.725 4.847 4.120 0.003 0.000 0.312 226 V C 0.024 176.115 176.094 -0.004 0.000 1.072 226 V CA -0.994 61.325 62.300 0.032 0.000 0.937 226 V CB 2.033 33.872 31.823 0.026 0.000 1.013 226 V HN 0.151 nan 8.190 nan 0.000 0.430 227 G N 2.602 111.389 108.800 -0.023 0.000 2.590 227 G HA2 0.688 4.650 3.960 0.003 0.000 0.310 227 G HA3 0.688 4.650 3.960 0.003 0.000 0.310 227 G C -1.918 172.932 174.900 -0.083 0.000 1.347 227 G CA -0.487 44.586 45.100 -0.046 0.000 0.963 227 G HN 0.610 nan 8.290 nan 0.000 0.494 228 L N 3.013 124.196 121.223 -0.067 0.000 2.436 228 L HA 0.718 5.060 4.340 0.003 0.000 0.268 228 L C -1.416 175.399 176.870 -0.092 0.000 0.974 228 L CA -0.970 53.822 54.840 -0.080 0.000 0.826 228 L CB 1.838 43.938 42.059 0.068 0.000 1.291 228 L HN 0.340 nan 8.230 nan 0.000 0.406 229 I N 6.631 127.141 120.570 -0.101 0.000 2.406 229 I HA 0.409 4.581 4.170 0.003 0.000 0.290 229 I C -0.449 175.656 176.117 -0.019 0.000 0.999 229 I CA -0.298 60.955 61.300 -0.079 0.000 1.124 229 I CB 1.698 39.642 38.000 -0.093 0.000 1.289 229 I HN 0.593 nan 8.210 nan 0.000 0.441 230 I N 5.953 126.498 120.570 -0.042 0.000 2.750 230 I HA 0.426 4.598 4.170 0.003 0.000 0.279 230 I C 0.590 176.672 176.117 -0.058 0.000 1.206 230 I CA 0.058 61.339 61.300 -0.030 0.000 1.101 230 I CB 1.220 39.188 38.000 -0.054 0.000 1.431 230 I HN 0.721 nan 8.210 nan 0.000 0.551 231 G N 1.215 109.989 108.800 -0.044 0.000 3.377 231 G HA2 0.157 4.119 3.960 0.003 0.000 0.182 231 G HA3 0.157 4.119 3.960 0.003 0.000 0.182 231 G C 0.703 175.572 174.900 -0.051 0.000 1.166 231 G CA 0.239 45.309 45.100 -0.050 0.000 0.771 231 G HN 0.184 nan 8.290 nan 0.000 0.701 232 T N 0.617 115.140 114.554 -0.052 0.000 2.684 232 T HA 0.136 4.488 4.350 0.003 0.000 0.267 232 T C 1.266 175.944 174.700 -0.036 0.000 1.036 232 T CA 1.598 63.661 62.100 -0.062 0.000 1.148 232 T CB -0.494 68.345 68.868 -0.049 0.000 0.863 232 T HN 0.670 nan 8.240 nan 0.000 0.436 233 G N -0.558 108.236 108.800 -0.010 0.000 2.820 233 G HA2 0.555 4.517 3.960 0.003 0.000 0.291 233 G HA3 0.555 4.517 3.960 0.003 0.000 0.291 233 G C -1.164 173.785 174.900 0.081 0.000 1.323 233 G CA -0.410 44.729 45.100 0.065 0.000 1.055 233 G HN 0.182 nan 8.290 nan 0.000 0.520 234 T N -0.959 113.696 114.554 0.169 0.000 2.876 234 T HA 0.618 4.970 4.350 0.003 0.000 0.289 234 T C -0.643 174.213 174.700 0.260 0.000 1.014 234 T CA -0.697 61.555 62.100 0.253 0.000 0.986 234 T CB 1.103 70.190 68.868 0.365 0.000 1.021 234 T HN 0.754 nan 8.240 nan 0.000 0.458 235 N N 1.303 120.015 118.700 0.019 0.000 3.179 235 N HA 0.671 5.413 4.740 0.003 0.000 0.250 235 N C -2.123 172.857 175.510 -0.884 0.000 1.507 235 N CA -0.738 52.032 53.050 -0.468 0.000 0.883 235 N CB 1.656 40.005 38.487 -0.229 0.000 1.435 235 N HN 0.849 nan 8.380 nan 0.000 0.532 236 A N 0.024 122.209 122.820 -1.060 0.000 2.594 236 A HA 0.711 5.033 4.320 0.003 0.000 0.295 236 A C -1.074 176.300 177.584 -0.351 0.000 1.071 236 A CA -0.538 51.050 52.037 -0.748 0.000 0.685 236 A CB 0.434 18.775 19.000 -1.098 0.000 1.285 236 A HN 0.919 nan 8.150 nan 0.000 0.405 237 C N -0.433 118.768 119.300 -0.166 0.000 2.889 237 C HA 1.050 5.512 4.460 0.003 0.000 0.307 237 C C -1.075 173.944 174.990 0.048 0.000 1.251 237 C CA -0.932 58.047 59.018 -0.066 0.000 1.593 237 C CB 0.638 28.313 27.740 -0.108 0.000 2.104 237 C HN 1.812 nan 8.230 nan 0.000 0.476 238 Y N 0.091 120.353 120.300 -0.063 0.000 2.581 238 Y HA 0.742 5.294 4.550 0.003 0.000 0.337 238 Y C -0.931 174.947 175.900 -0.037 0.000 1.108 238 Y CA -1.754 56.322 58.100 -0.039 0.000 1.033 238 Y CB 0.816 39.270 38.460 -0.011 0.000 1.318 238 Y HN 0.620 nan 8.280 nan 0.000 0.459 239 M N 3.200 122.784 119.600 -0.027 0.000 2.194 239 M HA 0.253 4.734 4.480 0.003 0.000 0.347 239 M C -0.389 175.860 176.300 -0.085 0.000 1.439 239 M CA 0.181 55.419 55.300 -0.104 0.000 1.131 239 M CB -0.064 32.523 32.600 -0.022 0.000 1.733 239 M HN 0.873 nan 8.290 nan 0.000 0.467 240 E N 2.319 122.371 120.200 -0.247 0.000 2.221 240 E HA 0.360 4.712 4.350 0.003 0.000 0.268 240 E C -0.849 175.692 176.600 -0.098 0.000 0.933 240 E CA -0.514 55.823 56.400 -0.106 0.000 0.809 240 E CB 1.140 30.714 29.700 -0.210 0.000 1.190 240 E HN 0.335 nan 8.360 nan 0.000 0.406 241 E N 3.497 123.640 120.200 -0.096 0.000 2.376 241 E HA -0.022 4.330 4.350 0.003 0.000 0.266 241 E C 0.825 177.325 176.600 -0.167 0.000 1.009 241 E CA -0.085 56.197 56.400 -0.198 0.000 0.902 241 E CB 0.559 30.000 29.700 -0.433 0.000 0.972 241 E HN 0.583 nan 8.360 nan 0.000 0.439 242 L N 3.412 124.552 121.223 -0.138 0.000 2.043 242 L HA -0.216 4.126 4.340 0.003 0.000 0.212 242 L C 2.159 178.982 176.870 -0.079 0.000 1.075 242 L CA 1.897 56.673 54.840 -0.106 0.000 0.752 242 L CB -0.595 41.412 42.059 -0.087 0.000 0.891 242 L HN 0.608 nan 8.230 nan 0.000 0.432 243 R N -1.650 118.787 120.500 -0.106 0.000 2.339 243 R HA -0.127 4.214 4.340 0.003 0.000 0.199 243 R C 0.928 177.284 176.300 0.093 0.000 1.018 243 R CA 0.790 56.867 56.100 -0.038 0.000 1.036 243 R CB -0.307 29.960 30.300 -0.055 0.000 0.899 243 R HN 0.415 nan 8.270 nan 0.000 0.473 244 H N 0.378 119.436 119.070 -0.019 0.000 2.705 244 H HA 0.328 4.886 4.556 0.003 0.000 0.269 244 H C 0.133 175.448 175.328 -0.022 0.000 0.998 244 H CA -0.466 55.575 56.048 -0.011 0.000 1.193 244 H CB 0.513 30.279 29.762 0.006 0.000 1.485 244 H HN 0.100 nan 8.280 nan 0.000 0.521 245 I N 2.270 122.880 120.570 0.066 0.000 2.276 245 I HA 0.026 4.198 4.170 0.003 0.000 0.290 245 I C 0.482 176.598 176.117 -0.001 0.000 1.109 245 I CA -0.251 61.054 61.300 0.008 0.000 1.229 245 I CB 1.026 38.991 38.000 -0.059 0.000 1.452 245 I HN -0.097 nan 8.210 nan 0.000 0.497 246 D N 4.570 124.974 120.400 0.008 0.000 2.149 246 D HA -0.151 4.491 4.640 0.003 0.000 0.198 246 D C 1.947 178.243 176.300 -0.006 0.000 0.990 246 D CA 1.540 55.539 54.000 -0.001 0.000 0.839 246 D CB 0.152 40.944 40.800 -0.013 0.000 0.948 246 D HN 0.520 nan 8.370 nan 0.000 0.460 247 L N 0.277 121.496 121.223 -0.007 0.000 2.622 247 L HA 0.045 4.386 4.340 0.003 0.000 0.233 247 L C 0.371 177.249 176.870 0.014 0.000 1.156 247 L CA 0.082 54.924 54.840 0.004 0.000 0.866 247 L CB -0.059 42.007 42.059 0.012 0.000 0.980 247 L HN -0.205 nan 8.230 nan 0.000 0.448 248 V N -0.414 119.497 119.914 -0.006 0.000 2.604 248 V HA 0.207 4.329 4.120 0.003 0.000 0.305 248 V C 0.072 176.170 176.094 0.006 0.000 1.043 248 V CA -0.829 61.473 62.300 0.004 0.000 0.888 248 V CB 2.461 34.235 31.823 -0.082 0.000 0.995 248 V HN 0.081 nan 8.190 nan 0.000 0.429 249 E N 2.775 122.993 120.200 0.029 0.000 2.129 249 E HA 0.554 4.906 4.350 0.003 0.000 0.283 249 E C 0.304 176.913 176.600 0.014 0.000 1.080 249 E CA 0.260 56.673 56.400 0.021 0.000 0.867 249 E CB 1.168 30.882 29.700 0.025 0.000 1.056 249 E HN 0.961 nan 8.360 nan 0.000 0.404 250 G N 2.739 111.540 108.800 0.001 0.000 2.350 250 G HA2 0.058 4.020 3.960 0.003 0.000 0.304 250 G HA3 0.058 4.020 3.960 0.003 0.000 0.304 250 G C -0.993 173.897 174.900 -0.016 0.000 1.421 250 G CA -0.506 44.592 45.100 -0.004 0.000 0.934 250 G HN 0.525 nan 8.290 nan 0.000 0.632 251 D N -1.510 118.879 120.400 -0.019 0.000 2.567 251 D HA 0.117 4.758 4.640 0.003 0.000 0.268 251 D C 0.111 176.387 176.300 -0.039 0.000 1.448 251 D CA 0.010 53.991 54.000 -0.030 0.000 0.811 251 D CB -0.123 40.666 40.800 -0.017 0.000 1.192 251 D HN 0.715 nan 8.370 nan 0.000 0.488 252 E N 1.046 121.226 120.200 -0.032 0.000 2.191 252 E HA 0.530 4.882 4.350 0.003 0.000 0.278 252 E C 0.886 177.460 176.600 -0.044 0.000 0.972 252 E CA -0.796 55.586 56.400 -0.030 0.000 0.804 252 E CB 1.653 31.346 29.700 -0.011 0.000 1.110 252 E HN 0.169 nan 8.360 nan 0.000 0.394 253 G N 2.458 111.228 108.800 -0.049 0.000 2.575 253 G HA2 -0.320 3.642 3.960 0.003 0.000 0.267 253 G HA3 -0.320 3.642 3.960 0.003 0.000 0.267 253 G C -0.364 174.489 174.900 -0.079 0.000 1.264 253 G CA 0.003 45.070 45.100 -0.056 0.000 0.935 253 G HN 0.598 nan 8.290 nan 0.000 0.568 254 R N -1.206 119.247 120.500 -0.079 0.000 2.867 254 R HA 0.804 5.146 4.340 0.003 0.000 0.268 254 R C 0.003 176.233 176.300 -0.117 0.000 1.014 254 R CA -0.607 55.434 56.100 -0.098 0.000 0.946 254 R CB 1.833 32.085 30.300 -0.080 0.000 1.208 254 R HN 0.826 nan 8.270 nan 0.000 0.477 255 M N 1.119 120.625 119.600 -0.156 0.000 2.484 255 M HA 0.372 4.853 4.480 0.003 0.000 0.289 255 M C -1.338 174.827 176.300 -0.226 0.000 1.206 255 M CA -0.702 54.483 55.300 -0.192 0.000 0.892 255 M CB 1.955 34.398 32.600 -0.261 0.000 1.712 255 M HN 0.775 nan 8.290 nan 0.000 0.462 256 C N 4.805 123.978 119.300 -0.211 0.000 2.644 256 C HA 0.533 4.994 4.460 0.003 0.000 0.417 256 C C -0.267 174.551 174.990 -0.287 0.000 1.304 256 C CA -0.378 58.498 59.018 -0.236 0.000 2.035 256 C CB -0.466 27.184 27.740 -0.151 0.000 2.673 256 C HN 0.688 nan 8.230 nan 0.000 0.602 257 I N 5.605 125.939 120.570 -0.393 0.000 2.474 257 I HA 0.270 4.441 4.170 0.003 0.000 0.294 257 I C -0.160 175.831 176.117 -0.210 0.000 1.005 257 I CA -0.118 60.987 61.300 -0.325 0.000 1.113 257 I CB 1.632 39.356 38.000 -0.460 0.000 1.289 257 I HN 0.731 nan 8.210 nan 0.000 0.436 258 N N 3.618 122.249 118.700 -0.114 0.000 2.437 258 N HA 0.061 4.803 4.740 0.003 0.000 0.243 258 N C 1.143 176.641 175.510 -0.019 0.000 1.041 258 N CA -0.069 52.938 53.050 -0.072 0.000 0.940 258 N CB 0.924 39.380 38.487 -0.053 0.000 1.133 258 N HN 0.723 nan 8.380 nan 0.000 0.506 259 T N 0.428 114.993 114.554 0.018 0.000 2.746 259 T HA -0.129 4.223 4.350 0.003 0.000 0.267 259 T C 0.139 174.919 174.700 0.134 0.000 1.039 259 T CA 0.883 63.060 62.100 0.127 0.000 1.142 259 T CB -0.345 68.694 68.868 0.286 0.000 0.866 259 T HN 0.593 nan 8.240 nan 0.000 0.444 260 E N 0.448 120.696 120.200 0.080 0.000 2.340 260 E HA -0.150 4.202 4.350 0.003 0.000 0.240 260 E C 0.251 177.043 176.600 0.320 0.000 1.154 260 E CA 0.778 57.265 56.400 0.144 0.000 0.717 260 E CB -1.931 27.845 29.700 0.126 0.000 1.250 260 E HN 0.976 nan 8.360 nan 0.000 0.386 261 W N -0.561 120.865 121.300 0.210 0.000 2.468 261 W HA 0.119 4.781 4.660 0.003 0.000 0.262 261 W C 1.570 178.259 176.519 0.283 0.000 1.241 261 W CA 0.869 58.354 57.345 0.233 0.000 1.232 261 W CB -1.356 28.128 29.460 0.040 0.000 1.124 261 W HN 0.137 nan 8.180 nan 0.000 0.597 262 G N 1.257 110.485 108.800 0.713 0.000 2.450 262 G HA2 -0.154 3.808 3.960 0.003 0.000 0.220 262 G HA3 -0.154 3.808 3.960 0.003 0.000 0.220 262 G C 1.744 176.911 174.900 0.445 0.000 1.130 262 G CA 1.748 47.200 45.100 0.587 0.000 0.760 262 G HN 0.492 nan 8.290 nan 0.000 0.557 263 A N -0.018 123.030 122.820 0.379 0.000 2.206 263 A HA 0.348 4.670 4.320 0.003 0.000 0.211 263 A C 0.889 178.670 177.584 0.328 0.000 1.158 263 A CA -0.479 51.734 52.037 0.293 0.000 0.761 263 A CB -0.390 18.748 19.000 0.230 0.000 0.801 263 A HN 0.308 nan 8.150 nan 0.000 0.473 264 F N 1.422 121.480 119.950 0.180 0.000 2.593 264 F HA 0.333 4.861 4.527 0.003 0.000 0.393 264 F C 1.333 177.187 175.800 0.091 0.000 1.037 264 F CA 0.844 58.902 58.000 0.096 0.000 1.195 264 F CB -0.305 38.651 39.000 -0.073 0.000 1.034 264 F HN 0.412 nan 8.300 nan 0.000 0.552 265 G N 4.263 113.060 108.800 -0.006 0.000 2.175 265 G HA2 -0.319 3.643 3.960 0.003 0.000 0.244 265 G HA3 -0.319 3.643 3.960 0.003 0.000 0.244 265 G C 0.828 175.724 174.900 -0.006 0.000 0.982 265 G CA 0.306 45.333 45.100 -0.122 0.000 0.641 265 G HN 0.604 nan 8.290 nan 0.000 0.527 266 D N 1.166 121.605 120.400 0.065 0.000 2.310 266 D HA 0.054 4.696 4.640 0.003 0.000 0.212 266 D C 1.909 178.237 176.300 0.047 0.000 0.965 266 D CA 1.419 55.456 54.000 0.063 0.000 0.879 266 D CB -0.080 40.778 40.800 0.095 0.000 0.921 266 D HN 0.677 nan 8.370 nan 0.000 0.510 267 D N -1.612 118.815 120.400 0.044 0.000 2.340 267 D HA 0.171 4.813 4.640 0.003 0.000 0.217 267 D C 1.427 177.734 176.300 0.012 0.000 1.081 267 D CA 0.409 54.428 54.000 0.033 0.000 0.842 267 D CB -0.008 40.816 40.800 0.041 0.000 0.934 267 D HN 0.136 nan 8.370 nan 0.000 0.511 268 G N 0.609 109.407 108.800 -0.003 0.000 2.159 268 G HA2 -0.338 3.624 3.960 0.003 0.000 0.227 268 G HA3 -0.338 3.624 3.960 0.003 0.000 0.227 268 G C 1.033 175.912 174.900 -0.035 0.000 0.986 268 G CA 0.582 45.670 45.100 -0.020 0.000 0.651 268 G HN 0.640 nan 8.290 nan 0.000 0.523 269 S N -0.556 115.121 115.700 -0.038 0.000 2.603 269 S HA 0.293 4.765 4.470 0.003 0.000 0.229 269 S C 1.704 176.241 174.600 -0.106 0.000 0.972 269 S CA 1.125 59.296 58.200 -0.048 0.000 0.935 269 S CB -0.157 63.043 63.200 -0.001 0.000 0.769 269 S HN 0.609 nan 8.310 nan 0.000 0.536 270 L N 0.564 121.694 121.223 -0.155 0.000 2.910 270 L HA 0.410 4.752 4.340 0.003 0.000 0.252 270 L C 1.645 178.453 176.870 -0.103 0.000 1.195 270 L CA -0.183 54.550 54.840 -0.177 0.000 1.003 270 L CB 0.124 42.017 42.059 -0.276 0.000 1.328 270 L HN 0.082 nan 8.230 nan 0.000 0.540 271 E N 1.277 121.433 120.200 -0.074 0.000 2.267 271 E HA -0.214 4.138 4.350 0.003 0.000 0.197 271 E C 1.439 178.010 176.600 -0.048 0.000 0.998 271 E CA 1.276 57.643 56.400 -0.054 0.000 0.830 271 E CB 0.001 29.676 29.700 -0.042 0.000 0.751 271 E HN 0.618 nan 8.360 nan 0.000 0.491 272 D N -0.817 119.555 120.400 -0.046 0.000 2.347 272 D HA -0.097 4.545 4.640 0.003 0.000 0.213 272 D C 1.503 177.781 176.300 -0.038 0.000 0.985 272 D CA 0.207 54.186 54.000 -0.035 0.000 0.879 272 D CB 0.053 40.837 40.800 -0.027 0.000 0.919 272 D HN 0.136 nan 8.370 nan 0.000 0.526 273 I N 0.444 120.984 120.570 -0.050 0.000 2.810 273 I HA 0.091 4.263 4.170 0.003 0.000 0.262 273 I C 1.050 177.140 176.117 -0.045 0.000 1.131 273 I CA -0.128 61.142 61.300 -0.049 0.000 1.453 273 I CB -0.809 37.155 38.000 -0.059 0.000 1.161 273 I HN -0.146 nan 8.210 nan 0.000 0.444 274 R N 1.734 122.204 120.500 -0.051 0.000 2.570 274 R HA 0.183 4.525 4.340 0.003 0.000 0.277 274 R C 0.624 176.906 176.300 -0.031 0.000 1.039 274 R CA 0.174 56.249 56.100 -0.042 0.000 1.065 274 R CB 0.268 30.538 30.300 -0.050 0.000 0.964 274 R HN 0.344 nan 8.270 nan 0.000 0.428 275 T N -2.059 112.490 114.554 -0.008 0.000 2.910 275 T HA 0.087 4.439 4.350 0.003 0.000 0.279 275 T C 1.331 175.985 174.700 -0.076 0.000 0.989 275 T CA -0.798 61.288 62.100 -0.022 0.000 0.968 275 T CB 1.162 70.069 68.868 0.065 0.000 1.135 275 T HN 0.707 nan 8.240 nan 0.000 0.562 276 E N 0.042 120.121 120.200 -0.203 0.000 2.160 276 E HA -0.163 4.189 4.350 0.003 0.000 0.195 276 E C 1.456 177.869 176.600 -0.312 0.000 0.991 276 E CA 1.223 57.440 56.400 -0.305 0.000 0.810 276 E CB -0.657 28.752 29.700 -0.485 0.000 0.742 276 E HN 0.616 nan 8.360 nan 0.000 0.466 277 F N 2.415 122.363 119.950 -0.003 0.000 2.186 277 F HA -0.087 4.442 4.527 0.003 0.000 0.299 277 F C 2.030 177.827 175.800 -0.005 0.000 1.090 277 F CA 1.247 59.251 58.000 0.005 0.000 1.307 277 F CB -0.287 38.722 39.000 0.015 0.000 1.019 277 F HN -0.025 nan 8.300 nan 0.000 0.489 278 D N 0.002 120.480 120.400 0.130 0.000 2.144 278 D HA -0.101 4.541 4.640 0.003 0.000 0.200 278 D C 2.272 178.576 176.300 0.006 0.000 0.978 278 D CA 0.883 54.910 54.000 0.045 0.000 0.833 278 D CB -0.318 40.485 40.800 0.005 0.000 0.961 278 D HN 0.300 nan 8.370 nan 0.000 0.470 279 R N 0.705 121.196 120.500 -0.015 0.000 2.115 279 R HA -0.086 4.256 4.340 0.003 0.000 0.230 279 R C 2.181 178.477 176.300 -0.007 0.000 1.111 279 R CA 0.811 56.896 56.100 -0.025 0.000 0.976 279 R CB -0.056 30.216 30.300 -0.048 0.000 0.870 279 R HN 0.248 nan 8.270 nan 0.000 0.445 280 E N 0.880 121.085 120.200 0.008 0.000 2.152 280 E HA -0.101 4.251 4.350 0.003 0.000 0.192 280 E C 1.886 178.520 176.600 0.056 0.000 0.983 280 E CA 0.579 56.998 56.400 0.032 0.000 0.818 280 E CB 0.098 29.830 29.700 0.053 0.000 0.758 280 E HN 0.264 nan 8.360 nan 0.000 0.467 281 I N 0.982 121.594 120.570 0.069 0.000 2.252 281 I HA -0.237 3.935 4.170 0.003 0.000 0.245 281 I C 1.994 178.139 176.117 0.047 0.000 1.102 281 I CA 1.483 62.829 61.300 0.077 0.000 1.385 281 I CB -0.132 37.923 38.000 0.090 0.000 1.064 281 I HN 0.209 nan 8.210 nan 0.000 0.414 282 D N 0.879 121.283 120.400 0.007 0.000 2.158 282 D HA -0.236 4.406 4.640 0.003 0.000 0.197 282 D C 2.283 178.596 176.300 0.022 0.000 0.995 282 D CA 1.493 55.490 54.000 -0.004 0.000 0.846 282 D CB 0.015 40.805 40.800 -0.018 0.000 0.941 282 D HN 0.193 nan 8.370 nan 0.000 0.456 283 R N -0.966 119.549 120.500 0.024 0.000 2.148 283 R HA 0.066 4.407 4.340 0.003 0.000 0.223 283 R C 2.122 178.443 176.300 0.035 0.000 1.088 283 R CA 1.042 57.157 56.100 0.025 0.000 0.985 283 R CB -0.101 30.211 30.300 0.020 0.000 0.880 283 R HN 0.161 nan 8.270 nan 0.000 0.451 284 G N 0.428 109.257 108.800 0.048 0.000 2.985 284 G HA2 -0.074 3.888 3.960 0.003 0.000 0.209 284 G HA3 -0.074 3.888 3.960 0.003 0.000 0.209 284 G C 0.377 175.317 174.900 0.067 0.000 1.165 284 G CA -0.068 45.064 45.100 0.054 0.000 0.776 284 G HN 0.288 nan 8.290 nan 0.000 0.541 285 S N -0.565 115.180 115.700 0.075 0.000 2.645 285 S HA 0.374 4.846 4.470 0.003 0.000 0.266 285 S C 0.806 175.449 174.600 0.073 0.000 1.258 285 S CA -0.657 57.605 58.200 0.103 0.000 0.990 285 S CB 1.595 64.872 63.200 0.129 0.000 0.967 285 S HN 0.021 nan 8.310 nan 0.000 0.556 286 L N 1.135 122.411 121.223 0.088 0.000 2.612 286 L HA 0.345 4.687 4.340 0.003 0.000 0.230 286 L C 0.105 177.018 176.870 0.072 0.000 1.140 286 L CA 0.395 55.257 54.840 0.037 0.000 0.896 286 L CB -0.757 41.312 42.059 0.017 0.000 1.065 286 L HN 0.886 nan 8.230 nan 0.000 0.447 287 N N -1.609 117.151 118.700 0.100 0.000 2.605 287 N HA 0.210 4.952 4.740 0.003 0.000 0.265 287 N C -3.149 172.413 175.510 0.086 0.000 1.625 287 N CA -1.139 51.979 53.050 0.114 0.000 0.862 287 N CB -0.289 38.297 38.487 0.165 0.000 1.415 287 N HN -0.009 nan 8.380 nan 0.000 0.513 288 P HA 0.207 nan 4.420 nan 0.000 0.268 288 P C 1.100 178.425 177.300 0.041 0.000 1.205 288 P CA 1.292 64.418 63.100 0.043 0.000 0.771 288 P CB 0.727 32.448 31.700 0.035 0.000 0.858 289 G N 1.751 110.568 108.800 0.028 0.000 2.284 289 G HA2 -0.200 3.762 3.960 0.003 0.000 0.247 289 G HA3 -0.200 3.762 3.960 0.003 0.000 0.247 289 G C 0.121 175.046 174.900 0.042 0.000 1.012 289 G CA 0.102 45.220 45.100 0.030 0.000 0.618 289 G HN 0.597 nan 8.290 nan 0.000 0.521 290 K N 0.115 120.549 120.400 0.057 0.000 2.221 290 K HA 0.621 4.942 4.320 0.003 0.000 0.243 290 K C 0.466 177.115 176.600 0.081 0.000 0.968 290 K CA -0.787 55.550 56.287 0.082 0.000 0.846 290 K CB 1.092 33.659 32.500 0.112 0.000 1.141 290 K HN 0.155 nan 8.250 nan 0.000 0.434 291 Q N 0.847 120.717 119.800 0.116 0.000 2.468 291 Q HA -0.180 4.162 4.340 0.003 0.000 0.289 291 Q C 0.768 176.808 176.000 0.067 0.000 1.299 291 Q CA 0.395 56.279 55.803 0.135 0.000 0.838 291 Q CB -2.195 26.631 28.738 0.146 0.000 1.195 291 Q HN 0.665 nan 8.270 nan 0.000 0.456 292 L N -1.696 119.565 121.223 0.062 0.000 2.156 292 L HA -0.091 4.251 4.340 0.003 0.000 0.208 292 L C 2.017 178.903 176.870 0.027 0.000 1.095 292 L CA 1.241 56.080 54.840 -0.002 0.000 0.770 292 L CB -0.401 41.652 42.059 -0.011 0.000 0.914 292 L HN 0.305 nan 8.230 nan 0.000 0.439 293 F N 1.299 121.221 119.950 -0.047 0.000 2.186 293 F HA -0.202 4.327 4.527 0.003 0.000 0.299 293 F C 2.496 178.273 175.800 -0.037 0.000 1.090 293 F CA 1.698 59.657 58.000 -0.069 0.000 1.307 293 F CB -0.078 38.920 39.000 -0.004 0.000 1.019 293 F HN 0.088 nan 8.300 nan 0.000 0.489 294 E N 0.494 120.722 120.200 0.047 0.000 2.110 294 E HA -0.243 4.109 4.350 0.003 0.000 0.193 294 E C 1.910 178.459 176.600 -0.085 0.000 0.988 294 E CA 1.461 57.881 56.400 0.034 0.000 0.804 294 E CB -0.153 29.666 29.700 0.198 0.000 0.745 294 E HN 0.436 nan 8.360 nan 0.000 0.458 295 K N -0.494 119.731 120.400 -0.292 0.000 2.439 295 K HA 0.003 4.324 4.320 0.003 0.000 0.197 295 K C 1.643 178.098 176.600 -0.241 0.000 1.041 295 K CA 0.797 56.739 56.287 -0.574 0.000 0.970 295 K CB 0.121 32.242 32.500 -0.632 0.000 0.773 295 K HN 0.286 nan 8.250 nan 0.000 0.479 296 M N -0.517 118.955 119.600 -0.212 0.000 2.382 296 M HA 0.010 4.492 4.480 0.003 0.000 0.247 296 M C 1.242 177.439 176.300 -0.172 0.000 1.104 296 M CA 0.372 55.571 55.300 -0.170 0.000 1.030 296 M CB 0.920 33.397 32.600 -0.206 0.000 1.424 296 M HN -0.088 nan 8.290 nan 0.000 0.486 297 V N -1.396 118.398 119.914 -0.199 0.000 2.854 297 V HA 0.080 4.202 4.120 0.003 0.000 0.236 297 V C 1.099 177.182 176.094 -0.018 0.000 1.157 297 V CA 0.572 62.769 62.300 -0.171 0.000 1.187 297 V CB 0.645 32.252 31.823 -0.359 0.000 0.949 297 V HN 0.425 nan 8.190 nan 0.000 0.488 298 S N 0.727 116.467 115.700 0.067 0.000 2.632 298 S HA 0.380 4.852 4.470 0.003 0.000 0.267 298 S C 1.414 176.042 174.600 0.047 0.000 1.276 298 S CA 0.246 58.492 58.200 0.077 0.000 0.998 298 S CB 1.270 64.546 63.200 0.128 0.000 0.953 298 S HN 0.451 nan 8.310 nan 0.000 0.547 299 G N 1.024 109.802 108.800 -0.037 0.000 2.450 299 G HA2 -0.232 3.730 3.960 0.003 0.000 0.220 299 G HA3 -0.232 3.730 3.960 0.003 0.000 0.220 299 G C 1.245 176.086 174.900 -0.098 0.000 1.130 299 G CA 0.989 46.051 45.100 -0.063 0.000 0.760 299 G HN 0.858 nan 8.290 nan 0.000 0.557 300 M N -0.907 118.560 119.600 -0.222 0.000 2.460 300 M HA 0.057 4.539 4.480 0.003 0.000 0.263 300 M C 1.623 177.617 176.300 -0.509 0.000 1.071 300 M CA 1.291 56.335 55.300 -0.426 0.000 1.096 300 M CB 0.006 32.220 32.600 -0.643 0.000 1.408 300 M HN 0.300 nan 8.290 nan 0.000 0.463 301 Y N -0.710 119.608 120.300 0.030 0.000 2.558 301 Y HA 0.225 4.778 4.550 0.003 0.000 0.273 301 Y C 1.848 177.772 175.900 0.039 0.000 1.100 301 Y CA 0.064 58.185 58.100 0.035 0.000 1.276 301 Y CB -0.313 38.162 38.460 0.025 0.000 1.196 301 Y HN 0.045 nan 8.280 nan 0.000 0.527 302 L N -0.279 121.033 121.223 0.148 0.000 2.042 302 L HA -0.160 4.182 4.340 0.003 0.000 0.210 302 L C 2.563 179.515 176.870 0.137 0.000 1.076 302 L CA 1.628 56.540 54.840 0.121 0.000 0.749 302 L CB -1.146 40.969 42.059 0.093 0.000 0.893 302 L HN 0.404 nan 8.230 nan 0.000 0.432 303 G N -0.045 108.848 108.800 0.154 0.000 2.476 303 G HA2 -0.346 3.616 3.960 0.003 0.000 0.218 303 G HA3 -0.346 3.616 3.960 0.003 0.000 0.218 303 G C 1.484 176.538 174.900 0.256 0.000 1.164 303 G CA 1.079 46.335 45.100 0.260 0.000 0.768 303 G HN 0.343 nan 8.290 nan 0.000 0.560 304 E N -0.265 120.036 120.200 0.167 0.000 2.152 304 E HA -0.010 4.342 4.350 0.003 0.000 0.192 304 E C 2.362 179.015 176.600 0.088 0.000 0.983 304 E CA 0.205 56.683 56.400 0.130 0.000 0.818 304 E CB -0.324 29.459 29.700 0.139 0.000 0.758 304 E HN 0.213 nan 8.360 nan 0.000 0.467 305 L N 0.324 121.600 121.223 0.088 0.000 1.994 305 L HA -0.125 4.217 4.340 0.003 0.000 0.208 305 L C 2.659 179.476 176.870 -0.090 0.000 1.071 305 L CA 1.929 56.787 54.840 0.030 0.000 0.745 305 L CB -1.436 40.648 42.059 0.042 0.000 0.892 305 L HN 0.329 nan 8.230 nan 0.000 0.431 306 V N -0.801 119.064 119.914 -0.083 0.000 2.515 306 V HA -0.243 3.879 4.120 0.003 0.000 0.250 306 V C 2.703 178.599 176.094 -0.330 0.000 1.058 306 V CA 1.822 63.989 62.300 -0.222 0.000 1.064 306 V CB -0.490 31.225 31.823 -0.180 0.000 0.675 306 V HN 0.533 nan 8.190 nan 0.000 0.461 307 R N -0.380 119.965 120.500 -0.258 0.000 2.073 307 R HA -0.072 4.270 4.340 0.003 0.000 0.234 307 R C 2.320 178.545 176.300 -0.124 0.000 1.134 307 R CA 2.246 58.209 56.100 -0.228 0.000 0.952 307 R CB -0.421 29.857 30.300 -0.036 0.000 0.850 307 R HN 0.606 nan 8.270 nan 0.000 0.433 308 L N 0.402 121.586 121.223 -0.064 0.000 2.083 308 L HA -0.187 4.155 4.340 0.003 0.000 0.209 308 L C 2.388 179.224 176.870 -0.057 0.000 1.083 308 L CA 1.194 56.051 54.840 0.028 0.000 0.752 308 L CB -0.303 41.865 42.059 0.181 0.000 0.899 308 L HN 0.258 nan 8.230 nan 0.000 0.433 309 I N -0.590 119.735 120.570 -0.409 0.000 2.315 309 I HA -0.266 3.906 4.170 0.003 0.000 0.248 309 I C 2.313 178.278 176.117 -0.254 0.000 1.117 309 I CA 1.047 61.990 61.300 -0.596 0.000 1.404 309 I CB -0.153 37.369 38.000 -0.797 0.000 1.071 309 I HN 0.214 nan 8.210 nan 0.000 0.419 310 L N -0.254 120.838 121.223 -0.218 0.000 2.093 310 L HA -0.146 4.196 4.340 0.003 0.000 0.208 310 L C 2.616 179.467 176.870 -0.031 0.000 1.085 310 L CA 0.906 55.659 54.840 -0.144 0.000 0.755 310 L CB -0.638 41.344 42.059 -0.127 0.000 0.904 310 L HN 0.095 nan 8.230 nan 0.000 0.435 311 V N 0.425 120.346 119.914 0.012 0.000 2.343 311 V HA -0.314 3.808 4.120 0.003 0.000 0.247 311 V C 2.598 178.737 176.094 0.076 0.000 1.051 311 V CA 2.040 64.380 62.300 0.067 0.000 1.036 311 V CB -0.501 31.366 31.823 0.074 0.000 0.654 311 V HN 0.428 nan 8.190 nan 0.000 0.451 312 K N -0.364 120.104 120.400 0.114 0.000 2.026 312 K HA -0.149 4.173 4.320 0.003 0.000 0.208 312 K C 2.178 178.838 176.600 0.100 0.000 1.048 312 K CA 1.731 58.124 56.287 0.177 0.000 0.929 312 K CB -0.207 32.529 32.500 0.393 0.000 0.713 312 K HN 0.346 nan 8.250 nan 0.000 0.439 313 M N -0.026 119.551 119.600 -0.040 0.000 2.175 313 M HA -0.108 4.374 4.480 0.003 0.000 0.264 313 M C 2.252 178.454 176.300 -0.163 0.000 1.063 313 M CA 1.474 56.649 55.300 -0.208 0.000 1.119 313 M CB -0.180 32.167 32.600 -0.422 0.000 1.377 313 M HN 0.320 nan 8.290 nan 0.000 0.415 314 A N 0.851 123.599 122.820 -0.120 0.000 1.877 314 A HA -0.178 4.144 4.320 0.003 0.000 0.216 314 A C 2.062 179.651 177.584 0.008 0.000 1.186 314 A CA 1.744 53.746 52.037 -0.058 0.000 0.620 314 A CB -0.522 18.550 19.000 0.120 0.000 0.822 314 A HN 0.413 nan 8.150 nan 0.000 0.443 315 K N -0.181 120.241 120.400 0.037 0.000 2.211 315 K HA -0.143 4.178 4.320 0.003 0.000 0.204 315 K C 1.235 177.857 176.600 0.037 0.000 1.047 315 K CA 1.583 57.898 56.287 0.047 0.000 0.935 315 K CB -0.110 32.425 32.500 0.059 0.000 0.728 315 K HN 0.580 nan 8.250 nan 0.000 0.452 316 E N -0.382 119.837 120.200 0.032 0.000 2.403 316 E HA 0.074 4.426 4.350 0.003 0.000 0.188 316 E C 0.357 176.959 176.600 0.003 0.000 1.056 316 E CA 0.036 56.457 56.400 0.036 0.000 0.892 316 E CB 0.602 30.353 29.700 0.085 0.000 1.049 316 E HN 0.415 nan 8.360 nan 0.000 0.465 317 G N 1.168 109.957 108.800 -0.018 0.000 2.225 317 G HA2 -0.293 3.669 3.960 0.003 0.000 0.267 317 G HA3 -0.293 3.669 3.960 0.003 0.000 0.267 317 G C 0.608 175.459 174.900 -0.081 0.000 1.024 317 G CA 0.408 45.486 45.100 -0.036 0.000 0.784 317 G HN 0.318 nan 8.290 nan 0.000 0.507 318 L N -1.295 119.846 121.223 -0.137 0.000 2.607 318 L HA 0.537 4.879 4.340 0.003 0.000 0.228 318 L C 1.074 177.769 176.870 -0.291 0.000 1.123 318 L CA 0.349 55.077 54.840 -0.185 0.000 0.890 318 L CB 0.270 42.197 42.059 -0.220 0.000 1.103 318 L HN 0.268 nan 8.230 nan 0.000 0.468 319 L N -1.360 119.623 121.223 -0.400 0.000 2.393 319 L HA 0.377 4.719 4.340 0.003 0.000 0.260 319 L C -0.558 175.948 176.870 -0.608 0.000 1.002 319 L CA -1.050 53.343 54.840 -0.744 0.000 0.818 319 L CB 2.017 43.216 42.059 -1.432 0.000 1.369 319 L HN -0.075 nan 8.230 nan 0.000 0.412 320 F N 0.303 120.238 119.950 -0.026 0.000 3.100 320 F HA -0.251 4.278 4.527 0.003 0.000 0.284 320 F C 1.309 177.103 175.800 -0.011 0.000 0.875 320 F CA 0.948 58.939 58.000 -0.015 0.000 1.039 320 F CB -2.551 36.441 39.000 -0.014 0.000 1.111 320 F HN 0.828 nan 8.300 nan 0.000 0.575 321 E N -0.784 119.446 120.200 0.049 0.000 2.257 321 E HA -0.233 4.119 4.350 0.003 0.000 0.224 321 E C 0.984 177.610 176.600 0.044 0.000 1.286 321 E CA 0.957 57.373 56.400 0.027 0.000 0.716 321 E CB -1.798 27.921 29.700 0.031 0.000 1.159 321 E HN 2.139 nan 8.360 nan 0.000 0.367 322 G N 0.299 109.123 108.800 0.041 0.000 2.147 322 G HA2 -0.356 3.606 3.960 0.003 0.000 0.244 322 G HA3 -0.356 3.606 3.960 0.003 0.000 0.244 322 G C 0.106 175.069 174.900 0.104 0.000 1.005 322 G CA 0.323 45.455 45.100 0.054 0.000 0.713 322 G HN 0.494 nan 8.290 nan 0.000 0.515 323 R N -0.168 120.434 120.500 0.170 0.000 2.221 323 R HA 0.575 4.917 4.340 0.003 0.000 0.327 323 R C 0.403 176.795 176.300 0.153 0.000 1.033 323 R CA -0.434 55.745 56.100 0.133 0.000 0.887 323 R CB 0.975 31.333 30.300 0.097 0.000 1.057 323 R HN 0.338 nan 8.270 nan 0.000 0.455 324 I N 2.255 122.883 120.570 0.095 0.000 2.385 324 I HA 0.253 4.425 4.170 0.003 0.000 0.294 324 I C 0.757 176.891 176.117 0.027 0.000 0.988 324 I CA -0.474 60.870 61.300 0.074 0.000 1.265 324 I CB 1.826 39.866 38.000 0.068 0.000 1.388 324 I HN 0.640 nan 8.210 nan 0.000 0.480 325 T N 1.387 115.943 114.554 0.004 0.000 2.930 325 T HA 0.438 4.790 4.350 0.003 0.000 0.290 325 T C -2.274 172.428 174.700 0.003 0.000 1.052 325 T CA -2.038 60.057 62.100 -0.008 0.000 1.017 325 T CB 2.030 70.877 68.868 -0.035 0.000 1.137 325 T HN 0.195 nan 8.240 nan 0.000 0.511 326 P HA -0.078 nan 4.420 nan 0.000 0.216 326 P C 1.194 178.501 177.300 0.011 0.000 1.153 326 P CA 1.115 64.221 63.100 0.010 0.000 0.858 326 P CB 0.103 31.806 31.700 0.006 0.000 0.789 327 E N -0.718 119.484 120.200 0.003 0.000 2.038 327 E HA -0.175 4.177 4.350 0.003 0.000 0.195 327 E C 1.862 178.473 176.600 0.019 0.000 1.000 327 E CA 0.827 57.231 56.400 0.007 0.000 0.803 327 E CB -1.361 28.336 29.700 -0.005 0.000 0.750 327 E HN 0.073 nan 8.360 nan 0.000 0.448 328 L N 0.360 121.586 121.223 0.006 0.000 2.051 328 L HA -0.172 4.170 4.340 0.003 0.000 0.214 328 L C 1.707 178.599 176.870 0.037 0.000 1.076 328 L CA 1.734 56.583 54.840 0.016 0.000 0.758 328 L CB -0.327 41.731 42.059 -0.001 0.000 0.890 328 L HN 0.168 nan 8.230 nan 0.000 0.433 329 L N -0.756 120.488 121.223 0.035 0.000 2.650 329 L HA 0.022 4.364 4.340 0.003 0.000 0.235 329 L C 0.244 177.139 176.870 0.042 0.000 1.149 329 L CA -0.121 54.743 54.840 0.041 0.000 0.887 329 L CB -0.820 41.261 42.059 0.038 0.000 1.021 329 L HN 0.166 nan 8.230 nan 0.000 0.441 330 T N 0.701 115.280 114.554 0.042 0.000 2.799 330 T HA 0.196 4.548 4.350 0.003 0.000 0.286 330 T C 0.280 175.011 174.700 0.052 0.000 0.973 330 T CA -0.555 61.570 62.100 0.041 0.000 1.035 330 T CB 1.357 70.244 68.868 0.033 0.000 0.932 330 T HN 0.184 nan 8.240 nan 0.000 0.469 331 R N 2.044 122.573 120.500 0.049 0.000 2.537 331 R HA 0.228 4.570 4.340 0.003 0.000 0.281 331 R C 1.237 177.571 176.300 0.057 0.000 0.988 331 R CA 1.466 57.601 56.100 0.057 0.000 1.077 331 R CB -0.462 29.869 30.300 0.052 0.000 0.932 331 R HN 0.983 nan 8.270 nan 0.000 0.409 332 G N 3.459 112.302 108.800 0.071 0.000 2.176 332 G HA2 -0.304 3.658 3.960 0.003 0.000 0.253 332 G HA3 -0.304 3.658 3.960 0.003 0.000 0.253 332 G C 0.722 175.662 174.900 0.067 0.000 0.979 332 G CA 0.462 45.598 45.100 0.061 0.000 0.641 332 G HN 0.695 nan 8.290 nan 0.000 0.530 333 K N -0.931 119.521 120.400 0.087 0.000 2.486 333 K HA 0.236 4.558 4.320 0.003 0.000 0.194 333 K C -0.091 176.601 176.600 0.154 0.000 1.033 333 K CA 0.224 56.565 56.287 0.090 0.000 1.004 333 K CB 0.062 32.606 32.500 0.075 0.000 0.798 333 K HN 0.351 nan 8.250 nan 0.000 0.495 334 F N 1.512 121.463 119.950 0.002 0.000 2.500 334 F HA 0.270 4.799 4.527 0.003 0.000 0.349 334 F C -0.304 175.496 175.800 0.000 0.000 1.127 334 F CA -0.993 57.008 58.000 0.001 0.000 0.998 334 F CB 0.715 39.719 39.000 0.008 0.000 1.237 334 F HN -0.172 nan 8.300 nan 0.000 0.439 335 N N 2.867 121.479 118.700 -0.147 0.000 2.483 335 N HA 0.080 4.822 4.740 0.003 0.000 0.269 335 N C 0.868 176.320 175.510 -0.096 0.000 1.209 335 N CA 0.011 52.999 53.050 -0.103 0.000 0.969 335 N CB 1.650 40.047 38.487 -0.151 0.000 1.173 335 N HN 0.577 nan 8.380 nan 0.000 0.475 336 T N -0.034 114.503 114.554 -0.029 0.000 2.881 336 T HA -0.146 4.206 4.350 0.003 0.000 0.270 336 T C 1.963 176.634 174.700 -0.047 0.000 1.068 336 T CA 1.481 63.579 62.100 -0.003 0.000 1.131 336 T CB -0.157 68.710 68.868 -0.002 0.000 0.871 336 T HN 0.675 nan 8.240 nan 0.000 0.479 337 S N 1.282 116.925 115.700 -0.096 0.000 2.481 337 S HA -0.086 4.386 4.470 0.003 0.000 0.231 337 S C 1.478 175.976 174.600 -0.169 0.000 0.996 337 S CA 0.679 58.811 58.200 -0.114 0.000 0.942 337 S CB -0.153 62.986 63.200 -0.101 0.000 0.768 337 S HN 0.392 nan 8.310 nan 0.000 0.520 338 D N 1.243 121.477 120.400 -0.276 0.000 2.213 338 D HA 0.081 4.723 4.640 0.003 0.000 0.205 338 D C 2.013 178.159 176.300 -0.258 0.000 0.961 338 D CA 0.653 54.409 54.000 -0.407 0.000 0.853 338 D CB -0.050 40.214 40.800 -0.893 0.000 0.967 338 D HN 0.339 nan 8.370 nan 0.000 0.496 339 V N 0.887 120.732 119.914 -0.114 0.000 2.453 339 V HA -0.167 3.955 4.120 0.003 0.000 0.247 339 V C 2.517 178.609 176.094 -0.003 0.000 1.048 339 V CA 1.311 63.664 62.300 0.089 0.000 1.049 339 V CB -0.293 31.647 31.823 0.194 0.000 0.672 339 V HN 0.109 nan 8.190 nan 0.000 0.457 340 S N 0.264 115.910 115.700 -0.090 0.000 2.348 340 S HA -0.164 4.308 4.470 0.003 0.000 0.221 340 S C 2.270 176.720 174.600 -0.250 0.000 1.033 340 S CA 1.488 59.506 58.200 -0.303 0.000 1.010 340 S CB -0.520 62.562 63.200 -0.197 0.000 0.891 340 S HN 0.637 nan 8.310 nan 0.000 0.442 341 A N 1.313 124.036 122.820 -0.161 0.000 1.908 341 A HA -0.095 4.227 4.320 0.003 0.000 0.218 341 A C 2.028 179.554 177.584 -0.097 0.000 1.181 341 A CA 1.400 53.362 52.037 -0.124 0.000 0.627 341 A CB -0.791 18.142 19.000 -0.111 0.000 0.818 341 A HN 0.519 nan 8.150 nan 0.000 0.445 342 I N -0.641 119.887 120.570 -0.069 0.000 2.614 342 I HA -0.177 3.995 4.170 0.003 0.000 0.258 342 I C 1.795 177.895 176.117 -0.028 0.000 1.189 342 I CA 1.126 62.419 61.300 -0.012 0.000 1.462 342 I CB -0.200 37.842 38.000 0.069 0.000 1.092 342 I HN 0.388 nan 8.210 nan 0.000 0.442 343 E N 0.701 120.850 120.200 -0.086 0.000 2.444 343 E HA 0.069 4.421 4.350 0.003 0.000 0.191 343 E C 0.211 176.746 176.600 -0.108 0.000 1.041 343 E CA -0.100 56.250 56.400 -0.082 0.000 0.883 343 E CB 0.334 29.973 29.700 -0.102 0.000 1.024 343 E HN 0.375 nan 8.360 nan 0.000 0.470 344 K N 0.544 120.876 120.400 -0.112 0.000 2.295 344 K HA 0.101 4.423 4.320 0.003 0.000 0.270 344 K C 0.652 177.209 176.600 -0.072 0.000 1.011 344 K CA -0.043 56.185 56.287 -0.099 0.000 0.953 344 K CB 0.683 33.128 32.500 -0.092 0.000 0.956 344 K HN 0.044 nan 8.250 nan 0.000 0.477 345 N N 1.596 120.258 118.700 -0.063 0.000 2.058 345 N HA -0.174 4.568 4.740 0.003 0.000 0.191 345 N C 1.050 176.522 175.510 -0.063 0.000 1.037 345 N CA 1.241 54.260 53.050 -0.052 0.000 0.848 345 N CB 0.179 38.641 38.487 -0.042 0.000 1.021 345 N HN 0.384 nan 8.380 nan 0.000 0.422 346 K N 0.612 120.974 120.400 -0.063 0.000 2.166 346 K HA -0.014 4.308 4.320 0.003 0.000 0.201 346 K C 1.375 177.899 176.600 -0.126 0.000 1.052 346 K CA 0.786 57.026 56.287 -0.078 0.000 0.969 346 K CB 0.085 32.558 32.500 -0.045 0.000 0.761 346 K HN 0.448 nan 8.250 nan 0.000 0.459 347 E N 0.771 120.917 120.200 -0.090 0.000 2.472 347 E HA 0.033 4.385 4.350 0.003 0.000 0.196 347 E C 1.828 178.376 176.600 -0.086 0.000 1.033 347 E CA 0.393 56.746 56.400 -0.078 0.000 0.886 347 E CB -0.103 29.594 29.700 -0.006 0.000 0.944 347 E HN 0.173 nan 8.360 nan 0.000 0.492 348 G N 2.226 110.973 108.800 -0.088 0.000 2.513 348 G HA2 -0.262 3.700 3.960 0.003 0.000 0.219 348 G HA3 -0.262 3.700 3.960 0.003 0.000 0.219 348 G C 1.486 176.366 174.900 -0.034 0.000 1.160 348 G CA 0.875 45.942 45.100 -0.056 0.000 0.767 348 G HN 0.157 nan 8.290 nan 0.000 0.571 349 L N 0.148 121.324 121.223 -0.078 0.000 2.156 349 L HA 0.084 4.426 4.340 0.003 0.000 0.208 349 L C 2.449 179.348 176.870 0.048 0.000 1.095 349 L CA 1.344 56.163 54.840 -0.035 0.000 0.770 349 L CB -1.370 40.643 42.059 -0.077 0.000 0.914 349 L HN 0.425 nan 8.230 nan 0.000 0.439 350 H N -1.225 117.847 119.070 0.004 0.000 2.389 350 H HA -0.085 4.472 4.556 0.003 0.000 0.299 350 H C 1.971 177.297 175.328 -0.004 0.000 1.081 350 H CA 1.225 57.272 56.048 -0.001 0.000 1.345 350 H CB 0.140 29.898 29.762 -0.007 0.000 1.393 350 H HN 0.483 nan 8.280 nan 0.000 0.520 351 N N 0.416 119.179 118.700 0.106 0.000 2.106 351 N HA -0.125 4.617 4.740 0.003 0.000 0.188 351 N C 2.151 177.686 175.510 0.042 0.000 1.029 351 N CA 0.620 53.696 53.050 0.043 0.000 0.848 351 N CB -0.036 38.452 38.487 0.002 0.000 1.007 351 N HN 0.259 nan 8.380 nan 0.000 0.423 352 A N 1.648 124.504 122.820 0.060 0.000 1.940 352 A HA -0.235 4.087 4.320 0.003 0.000 0.219 352 A C 2.071 179.707 177.584 0.087 0.000 1.176 352 A CA 1.462 53.553 52.037 0.089 0.000 0.631 352 A CB -0.481 18.580 19.000 0.102 0.000 0.814 352 A HN 0.232 nan 8.150 nan 0.000 0.446 353 K N -0.367 120.082 120.400 0.081 0.000 2.025 353 K HA -0.201 4.121 4.320 0.003 0.000 0.207 353 K C 2.113 178.733 176.600 0.033 0.000 1.049 353 K CA 1.630 57.955 56.287 0.064 0.000 0.933 353 K CB -0.223 32.320 32.500 0.072 0.000 0.714 353 K HN 0.608 nan 8.250 nan 0.000 0.438 354 E N 0.483 120.699 120.200 0.027 0.000 2.070 354 E HA -0.215 4.137 4.350 0.003 0.000 0.197 354 E C 1.945 178.542 176.600 -0.005 0.000 1.004 354 E CA 1.677 58.078 56.400 0.002 0.000 0.805 354 E CB -0.073 29.625 29.700 -0.003 0.000 0.744 354 E HN 0.386 nan 8.360 nan 0.000 0.451 355 I N 0.368 120.940 120.570 0.003 0.000 2.353 355 I HA -0.222 3.950 4.170 0.003 0.000 0.248 355 I C 2.251 178.381 176.117 0.022 0.000 1.119 355 I CA 0.608 61.906 61.300 -0.004 0.000 1.417 355 I CB -0.038 37.946 38.000 -0.026 0.000 1.078 355 I HN 0.167 nan 8.210 nan 0.000 0.421 356 L N -0.237 121.008 121.223 0.037 0.000 2.109 356 L HA -0.130 4.212 4.340 0.003 0.000 0.207 356 L C 2.562 179.381 176.870 -0.086 0.000 1.086 356 L CA 1.171 56.002 54.840 -0.015 0.000 0.760 356 L CB -0.692 41.364 42.059 -0.004 0.000 0.910 356 L HN 0.191 nan 8.230 nan 0.000 0.437 357 T N -0.834 113.692 114.554 -0.046 0.000 2.720 357 T HA -0.230 4.122 4.350 0.003 0.000 0.268 357 T C 2.021 176.691 174.700 -0.049 0.000 1.037 357 T CA 1.309 63.379 62.100 -0.050 0.000 1.144 357 T CB -0.178 68.674 68.868 -0.026 0.000 0.864 357 T HN 0.089 nan 8.240 nan 0.000 0.444 358 R N 0.795 121.273 120.500 -0.037 0.000 2.193 358 R HA 0.069 4.411 4.340 0.003 0.000 0.229 358 R C 1.593 177.871 176.300 -0.036 0.000 1.110 358 R CA 0.815 56.896 56.100 -0.033 0.000 0.988 358 R CB -0.781 29.502 30.300 -0.028 0.000 0.871 358 R HN 0.236 nan 8.270 nan 0.000 0.458 359 L N -0.838 120.355 121.223 -0.049 0.000 2.591 359 L HA 0.317 4.659 4.340 0.003 0.000 0.228 359 L C 1.194 178.008 176.870 -0.093 0.000 1.133 359 L CA 1.375 56.181 54.840 -0.055 0.000 0.880 359 L CB -0.358 41.676 42.059 -0.042 0.000 1.033 359 L HN 0.527 nan 8.230 nan 0.000 0.450 360 G N -0.660 108.078 108.800 -0.104 0.000 2.175 360 G HA2 -0.267 3.695 3.960 0.003 0.000 0.244 360 G HA3 -0.267 3.695 3.960 0.003 0.000 0.244 360 G C 0.869 175.683 174.900 -0.143 0.000 0.982 360 G CA 0.482 45.522 45.100 -0.099 0.000 0.641 360 G HN 0.350 nan 8.290 nan 0.000 0.527 361 V N -1.538 118.217 119.914 -0.265 0.000 3.620 361 V HA 0.486 4.607 4.120 0.003 0.000 0.286 361 V C 0.785 176.766 176.094 -0.189 0.000 1.288 361 V CA 0.925 63.022 62.300 -0.338 0.000 1.178 361 V CB -0.924 30.362 31.823 -0.895 0.000 0.986 361 V HN 0.602 nan 8.190 nan 0.000 0.431 362 E N 0.665 120.796 120.200 -0.114 0.000 2.246 362 E HA -0.149 4.203 4.350 0.003 0.000 0.173 362 E C -2.090 174.510 176.600 -0.000 0.000 1.532 362 E CA 0.417 56.793 56.400 -0.040 0.000 0.672 362 E CB -1.168 28.524 29.700 -0.012 0.000 1.078 362 E HN 0.681 nan 8.360 nan 0.000 0.338 363 P HA 0.028 nan 4.420 nan 0.000 0.275 363 P C -0.101 177.256 177.300 0.094 0.000 1.228 363 P CA -0.206 62.947 63.100 0.088 0.000 0.786 363 P CB 1.329 33.068 31.700 0.064 0.000 0.927 364 S N 0.696 116.468 115.700 0.121 0.000 2.730 364 S HA 0.265 4.737 4.470 0.003 0.000 0.284 364 S C 0.834 175.479 174.600 0.075 0.000 1.153 364 S CA -0.485 57.762 58.200 0.079 0.000 0.995 364 S CB 0.567 63.805 63.200 0.064 0.000 1.058 364 S HN 0.286 nan 8.310 nan 0.000 0.552 365 D N 0.919 121.352 120.400 0.056 0.000 2.117 365 D HA -0.093 4.549 4.640 0.003 0.000 0.197 365 D C 1.289 177.615 176.300 0.043 0.000 0.987 365 D CA 1.352 55.383 54.000 0.052 0.000 0.829 365 D CB -0.458 40.369 40.800 0.045 0.000 0.961 365 D HN 0.571 nan 8.370 nan 0.000 0.460 366 D N 1.062 121.481 120.400 0.031 0.000 2.092 366 D HA -0.135 4.507 4.640 0.003 0.000 0.193 366 D C 1.555 177.866 176.300 0.019 0.000 0.994 366 D CA 0.881 54.890 54.000 0.015 0.000 0.828 366 D CB -0.313 40.486 40.800 -0.001 0.000 0.963 366 D HN 0.238 nan 8.370 nan 0.000 0.450 367 D N 0.285 120.710 120.400 0.042 0.000 2.133 367 D HA -0.145 4.497 4.640 0.003 0.000 0.195 367 D C 2.280 178.638 176.300 0.096 0.000 0.997 367 D CA 0.702 54.740 54.000 0.064 0.000 0.840 367 D CB -0.509 40.415 40.800 0.207 0.000 0.947 367 D HN 0.264 nan 8.370 nan 0.000 0.452 368 C N 0.618 119.978 119.300 0.100 0.000 2.429 368 C HA -0.085 4.377 4.460 0.003 0.000 0.277 368 C C 2.949 177.981 174.990 0.069 0.000 1.262 368 C CA 0.695 59.770 59.018 0.095 0.000 1.733 368 C CB -0.956 26.836 27.740 0.086 0.000 2.010 368 C HN 0.312 nan 8.230 nan 0.000 0.483 369 V N -0.016 119.926 119.914 0.047 0.000 2.809 369 V HA -0.088 4.034 4.120 0.003 0.000 0.256 369 V C 2.173 178.297 176.094 0.050 0.000 1.080 369 V CA 2.518 64.841 62.300 0.039 0.000 1.102 369 V CB -0.541 31.293 31.823 0.017 0.000 0.705 369 V HN 0.522 nan 8.190 nan 0.000 0.475 370 S N 0.012 115.728 115.700 0.028 0.000 2.371 370 S HA -0.054 4.418 4.470 0.003 0.000 0.224 370 S C 1.845 176.457 174.600 0.020 0.000 1.029 370 S CA 1.511 59.718 58.200 0.011 0.000 0.978 370 S CB 0.007 63.168 63.200 -0.066 0.000 0.833 370 S HN 0.527 nan 8.310 nan 0.000 0.466 371 V N 1.808 121.740 119.914 0.031 0.000 2.515 371 V HA -0.178 3.944 4.120 0.003 0.000 0.250 371 V C 2.457 178.592 176.094 0.068 0.000 1.058 371 V CA 1.636 63.959 62.300 0.039 0.000 1.064 371 V CB -0.606 31.280 31.823 0.105 0.000 0.675 371 V HN 0.492 nan 8.190 nan 0.000 0.461 372 Q N -0.753 119.100 119.800 0.088 0.000 2.084 372 Q HA -0.251 4.090 4.340 0.003 0.000 0.202 372 Q C 2.353 178.410 176.000 0.095 0.000 0.978 372 Q CA 1.796 57.655 55.803 0.093 0.000 0.844 372 Q CB -0.191 28.599 28.738 0.086 0.000 0.898 372 Q HN 0.763 nan 8.270 nan 0.000 0.426 373 H N -0.859 118.223 119.070 0.020 0.000 2.357 373 H HA -0.076 4.482 4.556 0.003 0.000 0.301 373 H C 1.982 177.320 175.328 0.017 0.000 1.082 373 H CA 1.435 57.494 56.048 0.020 0.000 1.342 373 H CB 0.433 30.198 29.762 0.005 0.000 1.389 373 H HN 0.160 nan 8.280 nan 0.000 0.511 374 V N 0.122 119.990 119.914 -0.076 0.000 2.307 374 V HA -0.289 3.833 4.120 0.003 0.000 0.245 374 V C 2.942 178.984 176.094 -0.087 0.000 1.045 374 V CA 1.482 63.708 62.300 -0.123 0.000 1.024 374 V CB -0.731 31.013 31.823 -0.131 0.000 0.651 374 V HN 0.578 nan 8.190 nan 0.000 0.449 375 C N -0.209 119.082 119.300 -0.014 0.000 2.401 375 C HA -0.213 4.249 4.460 0.003 0.000 0.276 375 C C 3.011 178.032 174.990 0.052 0.000 1.233 375 C CA 1.914 60.970 59.018 0.063 0.000 1.753 375 C CB -1.336 26.482 27.740 0.131 0.000 2.029 375 C HN 0.627 nan 8.230 nan 0.000 0.478 376 T N 0.879 115.437 114.554 0.008 0.000 2.720 376 T HA -0.111 4.241 4.350 0.003 0.000 0.268 376 T C 1.606 176.311 174.700 0.007 0.000 1.037 376 T CA 1.461 63.571 62.100 0.018 0.000 1.144 376 T CB -0.239 68.630 68.868 0.003 0.000 0.864 376 T HN 0.500 nan 8.240 nan 0.000 0.444 377 I N 0.503 121.004 120.570 -0.116 0.000 2.500 377 I HA -0.084 4.088 4.170 0.003 0.000 0.252 377 I C 2.331 178.433 176.117 -0.024 0.000 1.142 377 I CA 0.545 61.793 61.300 -0.087 0.000 1.451 377 I CB -0.145 37.749 38.000 -0.177 0.000 1.093 377 I HN 0.091 nan 8.210 nan 0.000 0.430 378 V N 0.775 120.674 119.914 -0.024 0.000 2.307 378 V HA -0.258 3.864 4.120 0.003 0.000 0.245 378 V C 2.578 178.689 176.094 0.028 0.000 1.045 378 V CA 2.304 64.602 62.300 -0.003 0.000 1.024 378 V CB -0.756 31.064 31.823 -0.005 0.000 0.651 378 V HN 0.580 nan 8.190 nan 0.000 0.449 379 S N -0.734 114.993 115.700 0.045 0.000 2.428 379 S HA -0.102 4.370 4.470 0.003 0.000 0.230 379 S C 1.934 176.504 174.600 -0.050 0.000 1.014 379 S CA 0.913 59.123 58.200 0.016 0.000 0.957 379 S CB -0.526 62.635 63.200 -0.065 0.000 0.784 379 S HN 0.411 nan 8.310 nan 0.000 0.499 380 F N 2.919 122.767 119.950 -0.169 0.000 2.293 380 F HA 0.295 4.824 4.527 0.003 0.000 0.297 380 F C 2.528 178.221 175.800 -0.178 0.000 1.089 380 F CA 0.128 58.004 58.000 -0.206 0.000 1.377 380 F CB -0.534 38.383 39.000 -0.139 0.000 1.051 380 F HN 0.169 nan 8.300 nan 0.000 0.511 381 R N -0.676 119.876 120.500 0.088 0.000 2.081 381 R HA -0.148 4.193 4.340 0.003 0.000 0.235 381 R C 2.537 178.817 176.300 -0.034 0.000 1.131 381 R CA 1.524 57.615 56.100 -0.014 0.000 0.960 381 R CB -0.644 29.627 30.300 -0.049 0.000 0.856 381 R HN 0.257 nan 8.270 nan 0.000 0.436 382 S N -0.018 115.664 115.700 -0.030 0.000 2.353 382 S HA -0.185 4.287 4.470 0.003 0.000 0.222 382 S C 2.002 176.539 174.600 -0.104 0.000 1.035 382 S CA 1.499 59.675 58.200 -0.040 0.000 1.025 382 S CB -0.302 62.970 63.200 0.120 0.000 0.902 382 S HN 0.545 nan 8.310 nan 0.000 0.440 383 A N 1.286 123.916 122.820 -0.318 0.000 1.908 383 A HA -0.174 4.148 4.320 0.003 0.000 0.218 383 A C 1.954 179.500 177.584 -0.062 0.000 1.181 383 A CA 2.047 53.752 52.037 -0.553 0.000 0.627 383 A CB -1.182 17.273 19.000 -0.908 0.000 0.818 383 A HN 0.779 nan 8.150 nan 0.000 0.445 384 N N -0.383 118.350 118.700 0.054 0.000 2.142 384 N HA -0.064 4.677 4.740 0.003 0.000 0.186 384 N C 1.655 177.213 175.510 0.080 0.000 1.023 384 N CA 1.203 54.314 53.050 0.102 0.000 0.852 384 N CB -0.275 38.234 38.487 0.036 0.000 0.998 384 N HN 0.435 nan 8.380 nan 0.000 0.424 385 L N 0.376 121.612 121.223 0.022 0.000 2.042 385 L HA -0.132 4.210 4.340 0.003 0.000 0.210 385 L C 2.368 179.294 176.870 0.094 0.000 1.076 385 L CA 0.874 55.750 54.840 0.059 0.000 0.749 385 L CB -0.431 41.585 42.059 -0.071 0.000 0.893 385 L HN 0.160 nan 8.230 nan 0.000 0.432 386 V N -0.572 119.342 119.914 -0.000 0.000 2.871 386 V HA -0.069 4.053 4.120 0.003 0.000 0.256 386 V C 2.425 178.669 176.094 0.249 0.000 1.082 386 V CA 1.385 63.670 62.300 -0.025 0.000 1.105 386 V CB 0.091 31.857 31.823 -0.095 0.000 0.713 386 V HN 0.358 nan 8.190 nan 0.000 0.473 387 A N 0.332 123.396 122.820 0.407 0.000 1.898 387 A HA 0.025 4.347 4.320 0.003 0.000 0.216 387 A C 2.457 180.174 177.584 0.222 0.000 1.181 387 A CA 2.012 54.331 52.037 0.470 0.000 0.620 387 A CB -0.963 18.235 19.000 0.330 0.000 0.819 387 A HN 0.866 nan 8.150 nan 0.000 0.442 388 A N -0.272 122.621 122.820 0.122 0.000 1.873 388 A HA -0.078 4.244 4.320 0.003 0.000 0.215 388 A C 2.438 179.994 177.584 -0.046 0.000 1.186 388 A CA 2.483 54.552 52.037 0.054 0.000 0.616 388 A CB -1.308 17.730 19.000 0.062 0.000 0.823 388 A HN 0.710 nan 8.150 nan 0.000 0.442 389 T N -2.010 112.376 114.554 -0.281 0.000 2.942 389 T HA -0.013 4.339 4.350 0.003 0.000 0.265 389 T C 1.830 176.435 174.700 -0.160 0.000 1.062 389 T CA 1.033 62.717 62.100 -0.694 0.000 1.139 389 T CB -0.354 67.373 68.868 -1.901 0.000 0.883 389 T HN 0.180 nan 8.240 nan 0.000 0.468 390 L N 1.863 123.154 121.223 0.114 0.000 2.083 390 L HA 0.086 4.428 4.340 0.003 0.000 0.209 390 L C 2.541 179.555 176.870 0.240 0.000 1.083 390 L CA 2.342 57.434 54.840 0.421 0.000 0.752 390 L CB -1.615 40.798 42.059 0.590 0.000 0.899 390 L HN 0.486 nan 8.230 nan 0.000 0.433 391 G N -1.092 107.807 108.800 0.164 0.000 2.421 391 G HA2 -0.141 3.821 3.960 0.003 0.000 0.217 391 G HA3 -0.141 3.821 3.960 0.003 0.000 0.217 391 G C 1.703 176.652 174.900 0.081 0.000 1.143 391 G CA 0.720 45.883 45.100 0.106 0.000 0.784 391 G HN 0.573 nan 8.290 nan 0.000 0.541 392 A N 1.242 124.127 122.820 0.108 0.000 1.865 392 A HA -0.040 4.282 4.320 0.003 0.000 0.217 392 A C 2.366 179.977 177.584 0.046 0.000 1.191 392 A CA 1.364 53.464 52.037 0.105 0.000 0.623 392 A CB -0.446 18.694 19.000 0.233 0.000 0.826 392 A HN 0.351 nan 8.150 nan 0.000 0.444 393 I N -0.247 120.375 120.570 0.088 0.000 2.151 393 I HA -0.312 3.859 4.170 0.003 0.000 0.243 393 I C 2.404 178.448 176.117 -0.123 0.000 1.080 393 I CA 1.535 62.770 61.300 -0.109 0.000 1.339 393 I CB -0.472 37.516 38.000 -0.020 0.000 1.039 393 I HN 0.327 nan 8.210 nan 0.000 0.409 394 L N 0.237 121.445 121.223 -0.024 0.000 2.093 394 L HA -0.198 4.144 4.340 0.003 0.000 0.208 394 L C 2.263 179.119 176.870 -0.023 0.000 1.085 394 L CA 1.099 55.926 54.840 -0.022 0.000 0.755 394 L CB -0.793 41.267 42.059 0.003 0.000 0.904 394 L HN 0.323 nan 8.230 nan 0.000 0.435 395 N N 0.374 119.066 118.700 -0.014 0.000 2.188 395 N HA -0.187 4.554 4.740 0.003 0.000 0.184 395 N C 1.937 177.430 175.510 -0.028 0.000 1.018 395 N CA 1.098 54.140 53.050 -0.014 0.000 0.858 395 N CB -0.214 38.270 38.487 -0.004 0.000 0.989 395 N HN 0.305 nan 8.380 nan 0.000 0.426 396 R N 1.029 121.493 120.500 -0.061 0.000 2.075 396 R HA 0.057 4.399 4.340 0.003 0.000 0.232 396 R C 2.194 178.481 176.300 -0.022 0.000 1.126 396 R CA 0.772 56.835 56.100 -0.062 0.000 0.963 396 R CB -0.327 29.881 30.300 -0.153 0.000 0.858 396 R HN 0.114 nan 8.270 nan 0.000 0.435 397 L N 0.176 121.371 121.223 -0.046 0.000 2.012 397 L HA -0.156 4.185 4.340 0.003 0.000 0.210 397 L C 2.890 179.767 176.870 0.012 0.000 1.073 397 L CA 1.837 56.682 54.840 0.009 0.000 0.748 397 L CB -0.474 41.589 42.059 0.006 0.000 0.891 397 L HN 0.267 nan 8.230 nan 0.000 0.431 398 R N 0.077 120.576 120.500 -0.002 0.000 2.096 398 R HA -0.169 4.173 4.340 0.003 0.000 0.235 398 R C 1.833 178.137 176.300 0.007 0.000 1.127 398 R CA 1.806 57.905 56.100 -0.001 0.000 0.968 398 R CB -0.083 30.214 30.300 -0.005 0.000 0.861 398 R HN 0.355 nan 8.270 nan 0.000 0.440 399 D N -0.128 120.279 120.400 0.012 0.000 2.097 399 D HA -0.129 4.513 4.640 0.003 0.000 0.197 399 D C 1.391 177.718 176.300 0.045 0.000 0.984 399 D CA 1.321 55.335 54.000 0.023 0.000 0.826 399 D CB -0.569 40.241 40.800 0.016 0.000 0.973 399 D HN 0.391 nan 8.370 nan 0.000 0.460 400 N N 0.363 119.104 118.700 0.068 0.000 2.094 400 N HA -0.204 4.538 4.740 0.003 0.000 0.191 400 N C 1.699 177.227 175.510 0.030 0.000 1.023 400 N CA 1.000 54.097 53.050 0.079 0.000 0.857 400 N CB -0.021 38.512 38.487 0.078 0.000 1.013 400 N HN 0.113 nan 8.380 nan 0.000 0.426 401 K N 0.331 120.740 120.400 0.016 0.000 2.155 401 K HA -0.057 4.265 4.320 0.003 0.000 0.203 401 K C 0.987 177.585 176.600 -0.004 0.000 1.052 401 K CA 1.184 57.469 56.287 -0.003 0.000 0.948 401 K CB 0.146 32.639 32.500 -0.011 0.000 0.728 401 K HN 0.238 nan 8.250 nan 0.000 0.448 402 G N -0.076 108.725 108.800 0.003 0.000 2.141 402 G HA2 -0.196 3.766 3.960 0.003 0.000 0.231 402 G HA3 -0.196 3.766 3.960 0.003 0.000 0.231 402 G C 0.045 174.943 174.900 -0.004 0.000 0.984 402 G CA 0.421 45.522 45.100 0.001 0.000 0.660 402 G HN 0.374 nan 8.290 nan 0.000 0.525 403 T N 0.600 115.150 114.554 -0.006 0.000 2.855 403 T HA 0.565 4.917 4.350 0.003 0.000 0.281 403 T C -0.646 174.050 174.700 -0.007 0.000 1.007 403 T CA -0.774 61.320 62.100 -0.010 0.000 1.009 403 T CB 2.064 70.922 68.868 -0.017 0.000 0.983 403 T HN -0.050 nan 8.240 nan 0.000 0.455 404 P HA -0.022 nan 4.420 nan 0.000 0.215 404 P C 0.369 177.666 177.300 -0.005 0.000 1.157 404 P CA 1.050 64.147 63.100 -0.005 0.000 0.874 404 P CB 0.361 32.058 31.700 -0.004 0.000 0.790 405 R N -0.858 119.637 120.500 -0.008 0.000 2.832 405 R HA 0.627 4.969 4.340 0.003 0.000 0.271 405 R C -1.407 174.886 176.300 -0.012 0.000 0.996 405 R CA -1.040 55.056 56.100 -0.008 0.000 0.977 405 R CB 1.064 31.360 30.300 -0.006 0.000 1.168 405 R HN -0.096 nan 8.270 nan 0.000 0.482 406 L N 1.836 123.052 121.223 -0.012 0.000 2.381 406 L HA 0.552 4.894 4.340 0.003 0.000 0.274 406 L C -1.295 175.565 176.870 -0.016 0.000 0.988 406 L CA -0.310 54.520 54.840 -0.017 0.000 0.824 406 L CB 1.796 43.845 42.059 -0.016 0.000 1.263 406 L HN 0.517 nan 8.230 nan 0.000 0.410 407 R N 2.690 123.183 120.500 -0.012 0.000 2.265 407 R HA 0.706 5.048 4.340 0.003 0.000 0.328 407 R C -0.880 175.443 176.300 0.038 0.000 0.969 407 R CA -0.189 55.920 56.100 0.015 0.000 0.832 407 R CB 1.616 31.944 30.300 0.047 0.000 1.139 407 R HN 0.779 nan 8.270 nan 0.000 0.457 408 T N 0.975 115.531 114.554 0.004 0.000 2.900 408 T HA 0.403 4.754 4.350 0.003 0.000 0.303 408 T C -0.930 173.725 174.700 -0.075 0.000 1.142 408 T CA -0.432 61.669 62.100 0.001 0.000 1.007 408 T CB 1.701 70.552 68.868 -0.028 0.000 1.156 408 T HN 0.385 nan 8.240 nan 0.000 0.490 409 T N 2.791 117.307 114.554 -0.063 0.000 2.794 409 T HA 0.592 4.944 4.350 0.003 0.000 0.280 409 T C -0.594 174.013 174.700 -0.154 0.000 0.987 409 T CA -0.398 61.622 62.100 -0.134 0.000 0.993 409 T CB 1.019 69.832 68.868 -0.090 0.000 0.939 409 T HN 0.468 nan 8.240 nan 0.000 0.449 410 V N 3.281 123.035 119.914 -0.267 0.000 2.370 410 V HA 0.577 4.699 4.120 0.003 0.000 0.283 410 V C 0.945 177.006 176.094 -0.054 0.000 1.023 410 V CA -0.930 61.261 62.300 -0.182 0.000 0.857 410 V CB 1.404 33.017 31.823 -0.349 0.000 0.985 410 V HN 1.005 nan 8.190 nan 0.000 0.443 411 G N 3.986 112.779 108.800 -0.011 0.000 2.380 411 G HA2 0.508 4.470 3.960 0.003 0.000 0.262 411 G HA3 0.508 4.470 3.960 0.003 0.000 0.262 411 G C -0.593 174.320 174.900 0.022 0.000 1.243 411 G CA -0.093 45.018 45.100 0.018 0.000 0.865 411 G HN 0.574 nan 8.290 nan 0.000 0.513 412 V N 2.331 122.256 119.914 0.018 0.000 2.914 412 V HA 0.708 4.830 4.120 0.003 0.000 0.314 412 V C -0.659 175.373 176.094 -0.104 0.000 1.084 412 V CA -0.803 61.437 62.300 -0.100 0.000 0.963 412 V CB 2.275 33.897 31.823 -0.336 0.000 1.025 412 V HN 0.799 nan 8.190 nan 0.000 0.432 413 D N -0.180 120.136 120.400 -0.141 0.000 2.639 413 D HA 0.699 5.340 4.640 0.003 0.000 0.271 413 D C -0.549 175.721 176.300 -0.050 0.000 1.254 413 D CA 0.785 54.750 54.000 -0.058 0.000 0.810 413 D CB 2.380 43.158 40.800 -0.036 0.000 1.351 413 D HN 1.138 nan 8.370 nan 0.000 0.427 414 G N -0.241 108.560 108.800 0.003 0.000 2.435 414 G HA2 0.127 4.089 3.960 0.003 0.000 0.603 414 G HA3 0.127 4.089 3.960 0.003 0.000 0.603 414 G C 0.339 175.254 174.900 0.026 0.000 1.496 414 G CA 0.264 45.364 45.100 -0.001 0.000 0.896 414 G HN 0.288 nan 8.290 nan 0.000 0.657 415 S N 0.375 116.070 115.700 -0.009 0.000 2.406 415 S HA -0.075 4.397 4.470 0.003 0.000 0.228 415 S C 2.421 177.000 174.600 -0.035 0.000 1.020 415 S CA 1.539 59.731 58.200 -0.014 0.000 0.965 415 S CB -0.132 63.053 63.200 -0.024 0.000 0.798 415 S HN 1.035 nan 8.310 nan 0.000 0.488 416 L N 0.858 122.034 121.223 -0.077 0.000 2.005 416 L HA -0.003 4.339 4.340 0.003 0.000 0.207 416 L C 2.038 178.786 176.870 -0.204 0.000 1.072 416 L CA 1.720 56.468 54.840 -0.153 0.000 0.744 416 L CB -1.044 40.867 42.059 -0.247 0.000 0.895 416 L HN 0.275 nan 8.230 nan 0.000 0.433 417 Y N 0.672 120.785 120.300 -0.312 0.000 2.114 417 Y HA -0.311 4.241 4.550 0.003 0.000 0.282 417 Y C 2.458 178.308 175.900 -0.083 0.000 1.165 417 Y CA 2.382 60.339 58.100 -0.238 0.000 1.148 417 Y CB -0.101 38.275 38.460 -0.140 0.000 0.972 417 Y HN 0.191 nan 8.280 nan 0.000 0.504 418 K N -1.186 119.259 120.400 0.074 0.000 2.097 418 K HA -0.107 4.215 4.320 0.003 0.000 0.205 418 K C 1.934 178.515 176.600 -0.031 0.000 1.050 418 K CA 1.886 58.199 56.287 0.045 0.000 0.938 418 K CB -0.370 32.171 32.500 0.068 0.000 0.718 418 K HN 0.526 nan 8.250 nan 0.000 0.442 419 T N -3.084 111.446 114.554 -0.040 0.000 3.014 419 T HA -0.001 4.350 4.350 0.003 0.000 0.250 419 T C 0.643 175.311 174.700 -0.054 0.000 1.060 419 T CA -0.188 61.883 62.100 -0.047 0.000 1.040 419 T CB -0.237 68.603 68.868 -0.046 0.000 0.971 419 T HN 0.136 nan 8.240 nan 0.000 0.497 420 H N 3.794 122.785 119.070 -0.131 0.000 2.764 420 H HA 0.253 4.811 4.556 0.003 0.000 0.341 420 H C -1.388 173.880 175.328 -0.101 0.000 1.072 420 H CA -1.271 54.716 56.048 -0.102 0.000 1.444 420 H CB 1.312 31.023 29.762 -0.084 0.000 1.458 420 H HN 0.003 nan 8.280 nan 0.000 0.572 421 P HA -0.025 nan 4.420 nan 0.000 0.255 421 P C -0.013 177.288 177.300 0.002 0.000 1.248 421 P CA 0.533 63.573 63.100 -0.100 0.000 0.807 421 P CB 0.813 32.413 31.700 -0.168 0.000 1.150 422 Q N -2.290 117.667 119.800 0.260 0.000 2.254 422 Q HA 0.056 4.398 4.340 0.003 0.000 0.259 422 Q C 1.812 177.782 176.000 -0.049 0.000 0.815 422 Q CA 0.055 55.904 55.803 0.078 0.000 0.961 422 Q CB -0.673 28.083 28.738 0.029 0.000 1.140 422 Q HN 0.178 nan 8.270 nan 0.000 0.502 423 Y N 3.433 123.648 120.300 -0.142 0.000 2.053 423 Y HA -0.325 4.227 4.550 0.003 0.000 0.277 423 Y C 2.621 178.308 175.900 -0.356 0.000 1.159 423 Y CA 2.592 60.448 58.100 -0.407 0.000 1.125 423 Y CB -0.235 37.925 38.460 -0.500 0.000 0.969 423 Y HN 0.199 nan 8.280 nan 0.000 0.492 424 S N 0.307 115.894 115.700 -0.189 0.000 2.353 424 S HA -0.324 4.148 4.470 0.003 0.000 0.222 424 S C 2.202 176.381 174.600 -0.702 0.000 1.035 424 S CA 1.519 59.416 58.200 -0.506 0.000 1.025 424 S CB -0.900 61.808 63.200 -0.821 0.000 0.902 424 S HN 0.576 nan 8.310 nan 0.000 0.440 425 R N 1.400 121.625 120.500 -0.459 0.000 2.096 425 R HA -0.088 4.254 4.340 0.003 0.000 0.240 425 R C 2.719 178.853 176.300 -0.277 0.000 1.139 425 R CA 1.618 57.524 56.100 -0.323 0.000 0.952 425 R CB -0.249 29.937 30.300 -0.191 0.000 0.854 425 R HN 0.434 nan 8.270 nan 0.000 0.436 426 R N -0.581 119.711 120.500 -0.348 0.000 2.083 426 R HA -0.172 4.170 4.340 0.003 0.000 0.237 426 R C 2.233 178.426 176.300 -0.178 0.000 1.137 426 R CA 1.800 57.663 56.100 -0.394 0.000 0.951 426 R CB -0.570 29.186 30.300 -0.907 0.000 0.851 426 R HN 0.235 nan 8.270 nan 0.000 0.434 427 F N 1.325 121.039 119.950 -0.394 0.000 2.043 427 F HA -0.257 4.271 4.527 0.003 0.000 0.297 427 F C 1.925 177.731 175.800 0.010 0.000 1.121 427 F CA 1.880 59.755 58.000 -0.208 0.000 1.199 427 F CB -0.904 37.958 39.000 -0.230 0.000 0.968 427 F HN 0.120 nan 8.300 nan 0.000 0.478 428 H N -0.436 118.381 119.070 -0.422 0.000 2.353 428 H HA -0.178 4.380 4.556 0.003 0.000 0.298 428 H C 2.314 177.547 175.328 -0.160 0.000 1.103 428 H CA 1.452 57.266 56.048 -0.390 0.000 1.293 428 H CB -0.184 29.419 29.762 -0.266 0.000 1.372 428 H HN 0.273 nan 8.280 nan 0.000 0.501 429 K N 0.111 120.527 120.400 0.027 0.000 2.026 429 K HA -0.109 4.213 4.320 0.003 0.000 0.208 429 K C 2.364 178.996 176.600 0.053 0.000 1.048 429 K CA 1.743 58.055 56.287 0.042 0.000 0.929 429 K CB 0.030 32.554 32.500 0.040 0.000 0.713 429 K HN 0.184 nan 8.250 nan 0.000 0.439 430 T N 2.199 116.798 114.554 0.074 0.000 2.684 430 T HA -0.178 4.174 4.350 0.003 0.000 0.267 430 T C 1.642 176.382 174.700 0.066 0.000 1.036 430 T CA 1.016 63.172 62.100 0.093 0.000 1.148 430 T CB -0.207 68.751 68.868 0.149 0.000 0.863 430 T HN 0.156 nan 8.240 nan 0.000 0.436 431 L N 1.363 122.608 121.223 0.037 0.000 1.971 431 L HA -0.222 4.120 4.340 0.003 0.000 0.215 431 L C 2.814 179.706 176.870 0.037 0.000 1.072 431 L CA 1.945 56.805 54.840 0.032 0.000 0.758 431 L CB -0.406 41.633 42.059 -0.035 0.000 0.889 431 L HN 0.355 nan 8.230 nan 0.000 0.433 432 R N -0.569 119.950 120.500 0.032 0.000 2.096 432 R HA -0.178 4.163 4.340 0.003 0.000 0.235 432 R C 2.182 178.501 176.300 0.031 0.000 1.127 432 R CA 1.140 57.259 56.100 0.031 0.000 0.968 432 R CB -0.535 29.784 30.300 0.032 0.000 0.861 432 R HN 0.466 nan 8.270 nan 0.000 0.440 433 R N 0.508 121.029 120.500 0.035 0.000 2.081 433 R HA -0.072 4.270 4.340 0.003 0.000 0.235 433 R C 2.017 178.336 176.300 0.031 0.000 1.131 433 R CA 1.017 57.136 56.100 0.032 0.000 0.960 433 R CB -0.322 29.998 30.300 0.033 0.000 0.856 433 R HN 0.102 nan 8.270 nan 0.000 0.436 434 L N 0.012 121.258 121.223 0.038 0.000 2.240 434 L HA -0.005 4.337 4.340 0.003 0.000 0.211 434 L C 0.690 177.580 176.870 0.033 0.000 1.106 434 L CA 1.278 56.141 54.840 0.038 0.000 0.793 434 L CB 0.284 42.374 42.059 0.052 0.000 0.927 434 L HN -0.097 nan 8.230 nan 0.000 0.446 435 V N 1.017 120.950 119.914 0.032 0.000 2.384 435 V HA 0.230 4.352 4.120 0.003 0.000 0.257 435 V C -1.595 174.510 176.094 0.017 0.000 0.969 435 V CA -0.670 61.644 62.300 0.024 0.000 0.910 435 V CB 1.058 32.898 31.823 0.027 0.000 1.150 435 V HN 0.068 nan 8.190 nan 0.000 0.481 436 P HA -0.073 nan 4.420 nan 0.000 0.226 436 P C 0.473 177.777 177.300 0.008 0.000 1.153 436 P CA 0.941 64.049 63.100 0.012 0.000 0.777 436 P CB 0.312 32.020 31.700 0.012 0.000 0.794 437 D N -1.344 119.060 120.400 0.006 0.000 2.340 437 D HA 0.052 4.694 4.640 0.003 0.000 0.220 437 D C 0.210 176.509 176.300 -0.002 0.000 1.039 437 D CA 0.190 54.192 54.000 0.002 0.000 0.866 437 D CB -0.092 40.709 40.800 0.002 0.000 0.913 437 D HN -0.028 nan 8.370 nan 0.000 0.523 438 S N 0.216 115.915 115.700 -0.003 0.000 2.473 438 S HA 0.309 4.781 4.470 0.003 0.000 0.307 438 S C -1.114 173.476 174.600 -0.016 0.000 1.094 438 S CA -0.835 57.358 58.200 -0.011 0.000 1.070 438 S CB 1.579 64.771 63.200 -0.013 0.000 1.019 438 S HN -0.004 nan 8.310 nan 0.000 0.480 439 D N 2.201 122.589 120.400 -0.020 0.000 2.329 439 D HA 0.466 5.108 4.640 0.003 0.000 0.232 439 D C -0.833 175.431 176.300 -0.059 0.000 1.088 439 D CA -0.087 53.897 54.000 -0.026 0.000 0.835 439 D CB 1.196 41.990 40.800 -0.010 0.000 1.078 439 D HN 0.170 nan 8.370 nan 0.000 0.495 440 V N 3.705 123.558 119.914 -0.102 0.000 2.435 440 V HA 0.452 4.574 4.120 0.003 0.000 0.290 440 V C 0.427 176.385 176.094 -0.226 0.000 1.030 440 V CA -0.914 61.251 62.300 -0.225 0.000 0.881 440 V CB 1.738 33.345 31.823 -0.361 0.000 0.983 440 V HN 0.340 nan 8.190 nan 0.000 0.445 441 R N 3.026 123.382 120.500 -0.240 0.000 2.294 441 R HA 0.523 4.865 4.340 0.003 0.000 0.319 441 R C -1.522 174.630 176.300 -0.246 0.000 0.984 441 R CA -0.464 55.546 56.100 -0.151 0.000 0.861 441 R CB 0.832 31.075 30.300 -0.095 0.000 1.104 441 R HN 0.574 nan 8.270 nan 0.000 0.451 442 F N 4.363 124.256 119.950 -0.095 0.000 2.410 442 F HA 0.348 4.877 4.527 0.003 0.000 0.349 442 F C 0.116 175.944 175.800 0.046 0.000 1.117 442 F CA -0.599 57.387 58.000 -0.024 0.000 1.104 442 F CB 1.063 40.066 39.000 0.004 0.000 1.122 442 F HN 0.251 nan 8.300 nan 0.000 0.483 443 L N 4.478 125.816 121.223 0.191 0.000 2.313 443 L HA 0.488 4.829 4.340 0.003 0.000 0.283 443 L C -1.033 175.931 176.870 0.158 0.000 1.013 443 L CA -0.808 54.114 54.840 0.138 0.000 0.816 443 L CB 1.425 43.522 42.059 0.063 0.000 1.236 443 L HN 0.490 nan 8.230 nan 0.000 0.419 444 L N 3.624 124.949 121.223 0.169 0.000 2.265 444 L HA 0.363 4.705 4.340 0.003 0.000 0.288 444 L C 0.357 177.287 176.870 0.100 0.000 1.058 444 L CA 0.417 55.357 54.840 0.167 0.000 0.809 444 L CB 1.450 43.635 42.059 0.211 0.000 1.179 444 L HN 0.594 nan 8.230 nan 0.000 0.429 445 S N 3.850 119.589 115.700 0.066 0.000 2.686 445 S HA 0.055 4.527 4.470 0.003 0.000 0.324 445 S C 1.224 175.849 174.600 0.041 0.000 1.172 445 S CA -0.052 58.172 58.200 0.040 0.000 1.127 445 S CB -0.354 62.855 63.200 0.014 0.000 1.338 445 S HN 0.887 nan 8.310 nan 0.000 0.547 446 E N 2.783 123.009 120.200 0.044 0.000 2.086 446 E HA -0.161 4.191 4.350 0.003 0.000 0.200 446 E C 1.149 177.760 176.600 0.019 0.000 1.012 446 E CA 1.616 58.038 56.400 0.036 0.000 0.812 446 E CB 0.023 29.742 29.700 0.033 0.000 0.743 446 E HN 0.791 nan 8.360 nan 0.000 0.453 447 S N -0.714 114.990 115.700 0.006 0.000 2.562 447 S HA 0.440 4.912 4.470 0.003 0.000 0.246 447 S C 0.502 175.093 174.600 -0.014 0.000 1.056 447 S CA -0.033 58.163 58.200 -0.008 0.000 1.042 447 S CB 0.711 63.898 63.200 -0.020 0.000 0.822 447 S HN 0.467 nan 8.310 nan 0.000 0.465 448 G N 2.259 111.054 108.800 -0.008 0.000 2.697 448 G HA2 -0.286 3.676 3.960 0.003 0.000 0.240 448 G HA3 -0.286 3.676 3.960 0.003 0.000 0.240 448 G C 0.553 175.439 174.900 -0.023 0.000 1.346 448 G CA 0.015 45.106 45.100 -0.014 0.000 0.887 448 G HN 1.469 nan 8.290 nan 0.000 0.569 449 S N -0.251 115.432 115.700 -0.028 0.000 2.634 449 S HA 0.369 4.841 4.470 0.003 0.000 0.221 449 S C 2.113 176.692 174.600 -0.035 0.000 0.952 449 S CA 0.959 59.139 58.200 -0.033 0.000 0.930 449 S CB 0.393 63.568 63.200 -0.041 0.000 0.780 449 S HN 1.948 nan 8.310 nan 0.000 0.498 450 G N 2.040 110.819 108.800 -0.036 0.000 2.403 450 G HA2 -0.098 3.864 3.960 0.003 0.000 0.216 450 G HA3 -0.098 3.864 3.960 0.003 0.000 0.216 450 G C 1.369 176.238 174.900 -0.051 0.000 1.154 450 G CA 0.521 45.600 45.100 -0.036 0.000 0.784 450 G HN 0.548 nan 8.290 nan 0.000 0.538 451 K N 0.132 120.487 120.400 -0.074 0.000 2.032 451 K HA -0.056 4.266 4.320 0.003 0.000 0.209 451 K C 2.638 179.178 176.600 -0.101 0.000 1.048 451 K CA 1.476 57.691 56.287 -0.119 0.000 0.927 451 K CB -0.511 31.888 32.500 -0.168 0.000 0.712 451 K HN 0.232 nan 8.250 nan 0.000 0.441 452 G N 0.127 108.888 108.800 -0.065 0.000 2.414 452 G HA2 -0.250 3.712 3.960 0.003 0.000 0.215 452 G HA3 -0.250 3.712 3.960 0.003 0.000 0.215 452 G C 1.562 176.430 174.900 -0.053 0.000 1.188 452 G CA 0.911 45.988 45.100 -0.038 0.000 0.783 452 G HN 0.432 nan 8.290 nan 0.000 0.537 453 A N 1.264 124.053 122.820 -0.051 0.000 1.908 453 A HA 0.205 4.527 4.320 0.003 0.000 0.218 453 A C 2.827 180.349 177.584 -0.103 0.000 1.181 453 A CA 2.372 54.379 52.037 -0.049 0.000 0.627 453 A CB -0.870 18.118 19.000 -0.020 0.000 0.818 453 A HN 0.873 nan 8.150 nan 0.000 0.445 454 A N -0.739 122.009 122.820 -0.121 0.000 1.948 454 A HA -0.184 4.138 4.320 0.003 0.000 0.220 454 A C 2.149 179.492 177.584 -0.402 0.000 1.177 454 A CA 2.070 53.956 52.037 -0.252 0.000 0.636 454 A CB -0.499 18.442 19.000 -0.099 0.000 0.815 454 A HN 0.464 nan 8.150 nan 0.000 0.449 455 M N -0.740 118.743 119.600 -0.195 0.000 2.229 455 M HA -0.051 4.431 4.480 0.003 0.000 0.264 455 M C 2.076 178.294 176.300 -0.137 0.000 1.063 455 M CA 1.086 56.310 55.300 -0.127 0.000 1.114 455 M CB -1.095 31.513 32.600 0.014 0.000 1.387 455 M HN 0.249 nan 8.290 nan 0.000 0.420 456 V N -0.147 119.693 119.914 -0.123 0.000 2.535 456 V HA -0.139 3.982 4.120 0.003 0.000 0.246 456 V C 2.297 178.325 176.094 -0.111 0.000 1.045 456 V CA 1.628 63.882 62.300 -0.077 0.000 1.058 456 V CB -0.853 30.947 31.823 -0.039 0.000 0.689 456 V HN 0.427 nan 8.190 nan 0.000 0.461 457 T N 0.701 115.133 114.554 -0.203 0.000 2.833 457 T HA -0.163 4.189 4.350 0.003 0.000 0.269 457 T C 2.035 176.564 174.700 -0.285 0.000 1.054 457 T CA 1.573 63.538 62.100 -0.225 0.000 1.135 457 T CB -0.321 68.364 68.868 -0.304 0.000 0.869 457 T HN 0.553 nan 8.240 nan 0.000 0.466 458 A N 0.779 123.298 122.820 -0.503 0.000 1.898 458 A HA 0.007 4.328 4.320 0.003 0.000 0.216 458 A C 2.567 180.180 177.584 0.049 0.000 1.181 458 A CA 1.104 53.009 52.037 -0.220 0.000 0.620 458 A CB -0.830 18.076 19.000 -0.157 0.000 0.819 458 A HN 0.359 nan 8.150 nan 0.000 0.442 459 V N -0.190 119.720 119.914 -0.008 0.000 2.379 459 V HA -0.184 3.938 4.120 0.003 0.000 0.245 459 V C 3.060 179.160 176.094 0.010 0.000 1.044 459 V CA 1.732 64.044 62.300 0.020 0.000 1.036 459 V CB -1.139 30.688 31.823 0.006 0.000 0.664 459 V HN 0.598 nan 8.190 nan 0.000 0.453 460 A N -0.825 122.000 122.820 0.008 0.000 1.908 460 A HA -0.307 4.015 4.320 0.003 0.000 0.218 460 A C 2.161 179.734 177.584 -0.018 0.000 1.181 460 A CA 2.322 54.355 52.037 -0.007 0.000 0.627 460 A CB -0.818 18.194 19.000 0.019 0.000 0.818 460 A HN 0.632 nan 8.150 nan 0.000 0.445 461 Y N 1.432 121.713 120.300 -0.032 0.000 2.114 461 Y HA -0.275 4.277 4.550 0.003 0.000 0.284 461 Y C 2.649 178.532 175.900 -0.029 0.000 1.143 461 Y CA 2.358 60.461 58.100 0.004 0.000 1.135 461 Y CB -0.332 38.198 38.460 0.117 0.000 0.980 461 Y HN 0.481 nan 8.280 nan 0.000 0.499 462 R N -0.268 120.243 120.500 0.018 0.000 2.127 462 R HA -0.168 4.174 4.340 0.003 0.000 0.238 462 R C 2.066 178.230 176.300 -0.227 0.000 1.134 462 R CA 1.952 58.008 56.100 -0.073 0.000 0.975 462 R CB -1.031 29.294 30.300 0.041 0.000 0.865 462 R HN 0.443 nan 8.270 nan 0.000 0.447 463 L N 0.699 121.757 121.223 -0.274 0.000 2.095 463 L HA 0.071 4.413 4.340 0.003 0.000 0.204 463 L C 2.670 179.064 176.870 -0.793 0.000 1.080 463 L CA 1.205 55.765 54.840 -0.467 0.000 0.759 463 L CB -0.252 41.589 42.059 -0.363 0.000 0.914 463 L HN 0.361 nan 8.230 nan 0.000 0.439 464 A N -0.925 121.546 122.820 -0.581 0.000 2.019 464 A HA -0.184 4.138 4.320 0.003 0.000 0.219 464 A C 2.154 179.485 177.584 -0.422 0.000 1.164 464 A CA 1.394 53.144 52.037 -0.478 0.000 0.644 464 A CB -0.350 18.478 19.000 -0.287 0.000 0.805 464 A HN 0.373 nan 8.150 nan 0.000 0.449 465 E N -0.326 119.596 120.200 -0.464 0.000 2.046 465 E HA -0.214 4.137 4.350 0.003 0.000 0.190 465 E C 2.280 178.690 176.600 -0.316 0.000 0.982 465 E CA 1.463 57.650 56.400 -0.355 0.000 0.800 465 E CB -0.396 29.093 29.700 -0.351 0.000 0.756 465 E HN 0.921 nan 8.360 nan 0.000 0.449 466 Q N 0.146 119.695 119.800 -0.418 0.000 2.124 466 Q HA -0.188 4.154 4.340 0.003 0.000 0.202 466 Q C 1.699 177.342 176.000 -0.594 0.000 0.977 466 Q CA 1.595 57.001 55.803 -0.663 0.000 0.850 466 Q CB -0.297 28.006 28.738 -0.724 0.000 0.901 466 Q HN 0.518 nan 8.270 nan 0.000 0.429 467 H N -0.283 118.530 119.070 -0.430 0.000 2.357 467 H HA -0.037 4.521 4.556 0.003 0.000 0.301 467 H C 2.321 177.484 175.328 -0.275 0.000 1.082 467 H CA 0.979 56.821 56.048 -0.344 0.000 1.342 467 H CB -0.012 29.600 29.762 -0.249 0.000 1.389 467 H HN 0.217 nan 8.280 nan 0.000 0.511 468 R N 1.278 121.703 120.500 -0.126 0.000 2.103 468 R HA -0.200 4.142 4.340 0.003 0.000 0.242 468 R C 2.005 178.252 176.300 -0.088 0.000 1.142 468 R CA 1.891 57.930 56.100 -0.102 0.000 0.960 468 R CB 0.006 30.241 30.300 -0.108 0.000 0.858 468 R HN 0.481 nan 8.270 nan 0.000 0.439 469 Q N -0.290 119.433 119.800 -0.127 0.000 2.187 469 Q HA -0.063 4.279 4.340 0.003 0.000 0.199 469 Q C 2.172 178.168 176.000 -0.006 0.000 0.957 469 Q CA 1.196 56.982 55.803 -0.029 0.000 0.857 469 Q CB 0.082 28.852 28.738 0.054 0.000 0.929 469 Q HN 0.416 nan 8.270 nan 0.000 0.453 470 I N 0.905 121.353 120.570 -0.205 0.000 2.315 470 I HA -0.232 3.940 4.170 0.003 0.000 0.248 470 I C 2.124 178.267 176.117 0.043 0.000 1.117 470 I CA 0.915 62.102 61.300 -0.188 0.000 1.404 470 I CB -0.080 37.639 38.000 -0.468 0.000 1.071 470 I HN 0.155 nan 8.210 nan 0.000 0.419 471 E N 0.650 120.834 120.200 -0.026 0.000 2.106 471 E HA -0.219 4.133 4.350 0.003 0.000 0.192 471 E C 2.003 178.609 176.600 0.009 0.000 0.984 471 E CA 1.105 57.499 56.400 -0.011 0.000 0.806 471 E CB -0.118 29.547 29.700 -0.058 0.000 0.750 471 E HN 0.576 nan 8.360 nan 0.000 0.458 472 E N 0.125 120.333 120.200 0.015 0.000 2.072 472 E HA -0.098 4.254 4.350 0.003 0.000 0.191 472 E C 2.079 178.686 176.600 0.011 0.000 0.985 472 E CA 1.298 57.686 56.400 -0.020 0.000 0.801 472 E CB 0.028 29.739 29.700 0.018 0.000 0.750 472 E HN 0.114 nan 8.360 nan 0.000 0.452 473 T N 1.477 116.171 114.554 0.233 0.000 2.684 473 T HA -0.133 4.219 4.350 0.003 0.000 0.267 473 T C 1.885 176.850 174.700 0.441 0.000 1.036 473 T CA 0.925 63.293 62.100 0.446 0.000 1.148 473 T CB -0.166 69.075 68.868 0.622 0.000 0.863 473 T HN 0.095 nan 8.240 nan 0.000 0.436 474 L N 0.688 122.113 121.223 0.337 0.000 2.217 474 L HA 0.049 4.391 4.340 0.003 0.000 0.211 474 L C 2.910 179.969 176.870 0.315 0.000 1.107 474 L CA 0.790 55.832 54.840 0.337 0.000 0.783 474 L CB -0.614 41.555 42.059 0.183 0.000 0.919 474 L HN 0.217 nan 8.230 nan 0.000 0.442 475 A N -0.687 122.199 122.820 0.111 0.000 2.121 475 A HA -0.190 4.132 4.320 0.003 0.000 0.218 475 A C 1.767 179.374 177.584 0.038 0.000 1.154 475 A CA 1.020 53.080 52.037 0.038 0.000 0.679 475 A CB -0.857 18.090 19.000 -0.088 0.000 0.795 475 A HN 0.481 nan 8.150 nan 0.000 0.458 476 H N -2.417 116.735 119.070 0.136 0.000 2.545 476 H HA -0.003 4.555 4.556 0.003 0.000 0.282 476 H C 0.782 175.989 175.328 -0.202 0.000 1.020 476 H CA 1.191 57.206 56.048 -0.055 0.000 1.243 476 H CB -0.107 29.560 29.762 -0.158 0.000 1.377 476 H HN 0.615 nan 8.280 nan 0.000 0.581 477 F N -0.876 119.185 119.950 0.186 0.000 2.727 477 F HA 0.028 4.557 4.527 0.003 0.000 0.302 477 F C 1.187 177.042 175.800 0.090 0.000 1.097 477 F CA -0.001 58.069 58.000 0.118 0.000 1.330 477 F CB 0.226 39.278 39.000 0.087 0.000 1.084 477 F HN 0.276 nan 8.300 nan 0.000 0.578 478 H N 2.239 121.399 119.070 0.149 0.000 2.620 478 H HA 0.401 4.959 4.556 0.003 0.000 0.313 478 H C -0.786 174.569 175.328 0.046 0.000 1.075 478 H CA -0.059 56.038 56.048 0.081 0.000 1.397 478 H CB 0.590 30.381 29.762 0.050 0.000 1.446 478 H HN 0.061 nan 8.280 nan 0.000 0.493 479 L N 4.630 125.548 121.223 -0.509 0.000 2.322 479 L HA 0.207 4.549 4.340 0.003 0.000 0.281 479 L C 0.859 177.469 176.870 -0.434 0.000 1.014 479 L CA -0.704 53.935 54.840 -0.335 0.000 0.815 479 L CB 1.988 43.952 42.059 -0.158 0.000 1.247 479 L HN 0.541 nan 8.230 nan 0.000 0.421 480 T N 0.667 115.092 114.554 -0.215 0.000 2.902 480 T HA 0.165 4.517 4.350 0.003 0.000 0.280 480 T C 1.156 175.815 174.700 -0.068 0.000 0.992 480 T CA -0.319 61.715 62.100 -0.110 0.000 1.015 480 T CB 1.215 70.078 68.868 -0.008 0.000 1.044 480 T HN 0.710 nan 8.240 nan 0.000 0.520 481 K N 0.704 121.080 120.400 -0.039 0.000 2.030 481 K HA -0.232 4.090 4.320 0.003 0.000 0.222 481 K C 1.566 178.156 176.600 -0.017 0.000 1.056 481 K CA 2.654 58.928 56.287 -0.022 0.000 0.957 481 K CB -0.392 32.103 32.500 -0.008 0.000 0.727 481 K HN 0.638 nan 8.250 nan 0.000 0.452 482 D N -0.012 120.382 120.400 -0.010 0.000 2.190 482 D HA -0.185 4.457 4.640 0.003 0.000 0.200 482 D C 1.906 178.200 176.300 -0.010 0.000 0.992 482 D CA 1.294 55.290 54.000 -0.006 0.000 0.854 482 D CB -0.085 40.714 40.800 -0.001 0.000 0.936 482 D HN 0.354 nan 8.370 nan 0.000 0.462 483 M N -0.469 119.119 119.600 -0.020 0.000 2.132 483 M HA -0.060 4.422 4.480 0.003 0.000 0.263 483 M C 2.263 178.552 176.300 -0.018 0.000 1.065 483 M CA 0.993 56.280 55.300 -0.023 0.000 1.122 483 M CB -0.446 32.132 32.600 -0.036 0.000 1.365 483 M HN 0.026 nan 8.290 nan 0.000 0.411 484 L N 0.160 121.369 121.223 -0.023 0.000 2.240 484 L HA -0.075 4.267 4.340 0.003 0.000 0.211 484 L C 2.270 179.141 176.870 0.001 0.000 1.106 484 L CA 0.494 55.327 54.840 -0.012 0.000 0.793 484 L CB -0.384 41.661 42.059 -0.023 0.000 0.927 484 L HN 0.279 nan 8.230 nan 0.000 0.446 485 L N -0.562 120.660 121.223 -0.003 0.000 2.395 485 L HA -0.114 4.228 4.340 0.003 0.000 0.218 485 L C 2.365 179.237 176.870 0.004 0.000 1.130 485 L CA 0.446 55.286 54.840 0.001 0.000 0.826 485 L CB -0.161 41.897 42.059 -0.001 0.000 0.941 485 L HN 0.200 nan 8.230 nan 0.000 0.451 486 E N -0.045 120.159 120.200 0.006 0.000 2.170 486 E HA -0.095 4.256 4.350 0.003 0.000 0.191 486 E C 2.043 178.661 176.600 0.031 0.000 0.981 486 E CA 0.650 57.056 56.400 0.011 0.000 0.830 486 E CB 0.167 29.869 29.700 0.004 0.000 0.775 486 E HN 0.154 nan 8.360 nan 0.000 0.470 487 V N 1.175 121.114 119.914 0.042 0.000 2.379 487 V HA -0.192 3.929 4.120 0.003 0.000 0.245 487 V C 2.424 178.565 176.094 0.079 0.000 1.044 487 V CA 2.012 64.373 62.300 0.101 0.000 1.036 487 V CB -0.527 31.351 31.823 0.092 0.000 0.664 487 V HN 0.306 nan 8.190 nan 0.000 0.453 488 K N 0.882 121.295 120.400 0.021 0.000 2.026 488 K HA -0.251 4.071 4.320 0.003 0.000 0.208 488 K C 2.300 178.869 176.600 -0.050 0.000 1.048 488 K CA 1.954 58.226 56.287 -0.025 0.000 0.929 488 K CB -0.266 32.228 32.500 -0.011 0.000 0.713 488 K HN 0.358 nan 8.250 nan 0.000 0.439 489 K N 0.698 121.086 120.400 -0.021 0.000 2.057 489 K HA -0.147 4.175 4.320 0.003 0.000 0.207 489 K C 2.072 178.658 176.600 -0.025 0.000 1.049 489 K CA 1.261 57.534 56.287 -0.023 0.000 0.931 489 K CB -0.008 32.487 32.500 -0.007 0.000 0.714 489 K HN 0.196 nan 8.250 nan 0.000 0.440 490 R N 0.114 120.624 120.500 0.018 0.000 2.081 490 R HA -0.133 4.209 4.340 0.003 0.000 0.235 490 R C 2.367 178.605 176.300 -0.102 0.000 1.131 490 R CA 1.355 57.487 56.100 0.052 0.000 0.960 490 R CB -0.508 29.916 30.300 0.207 0.000 0.856 490 R HN 0.243 nan 8.270 nan 0.000 0.436 491 M N 1.285 120.698 119.600 -0.312 0.000 2.080 491 M HA -0.139 4.342 4.480 0.003 0.000 0.260 491 M C 2.039 178.127 176.300 -0.352 0.000 1.068 491 M CA 1.684 56.561 55.300 -0.706 0.000 1.109 491 M CB -0.225 31.964 32.600 -0.685 0.000 1.342 491 M HN -0.095 nan 8.290 nan 0.000 0.405 492 R N -0.204 120.178 120.500 -0.198 0.000 2.127 492 R HA -0.065 4.277 4.340 0.003 0.000 0.238 492 R C 2.086 178.332 176.300 -0.089 0.000 1.134 492 R CA 1.561 57.588 56.100 -0.122 0.000 0.975 492 R CB -1.229 29.022 30.300 -0.081 0.000 0.865 492 R HN 0.557 nan 8.270 nan 0.000 0.447 493 A N 1.011 123.783 122.820 -0.080 0.000 2.067 493 A HA -0.075 4.247 4.320 0.003 0.000 0.217 493 A C 1.851 179.410 177.584 -0.043 0.000 1.156 493 A CA 0.817 52.829 52.037 -0.042 0.000 0.683 493 A CB 0.014 19.002 19.000 -0.019 0.000 0.808 493 A HN 0.118 nan 8.150 nan 0.000 0.455 494 E N -0.144 120.006 120.200 -0.084 0.000 2.112 494 E HA -0.061 4.291 4.350 0.003 0.000 0.190 494 E C 2.029 178.595 176.600 -0.057 0.000 0.979 494 E CA 0.942 57.296 56.400 -0.077 0.000 0.814 494 E CB -0.424 29.194 29.700 -0.138 0.000 0.762 494 E HN 0.706 nan 8.360 nan 0.000 0.460 495 M N 0.511 120.069 119.600 -0.071 0.000 2.108 495 M HA -0.177 4.305 4.480 0.003 0.000 0.261 495 M C 2.065 178.382 176.300 0.029 0.000 1.066 495 M CA 1.452 56.752 55.300 0.001 0.000 1.107 495 M CB -0.276 32.323 32.600 -0.001 0.000 1.356 495 M HN -0.073 nan 8.290 nan 0.000 0.406 496 E N 0.751 120.956 120.200 0.007 0.000 2.150 496 E HA -0.142 4.210 4.350 0.003 0.000 0.193 496 E C 1.918 178.534 176.600 0.027 0.000 0.985 496 E CA 0.973 57.384 56.400 0.019 0.000 0.814 496 E CB -0.313 29.390 29.700 0.005 0.000 0.752 496 E HN 0.623 nan 8.360 nan 0.000 0.466 497 L N -3.457 117.778 121.223 0.021 0.000 2.240 497 L HA 0.264 4.606 4.340 0.003 0.000 0.211 497 L C 2.197 179.101 176.870 0.057 0.000 1.106 497 L CA 1.341 56.200 54.840 0.032 0.000 0.793 497 L CB -0.601 41.468 42.059 0.018 0.000 0.927 497 L HN 0.026 nan 8.230 nan 0.000 0.446 498 G N 0.769 109.606 108.800 0.062 0.000 2.421 498 G HA2 -0.045 3.917 3.960 0.003 0.000 0.217 498 G HA3 -0.045 3.917 3.960 0.003 0.000 0.217 498 G C 1.583 176.632 174.900 0.250 0.000 1.143 498 G CA 0.597 45.768 45.100 0.118 0.000 0.784 498 G HN 0.319 nan 8.290 nan 0.000 0.541 499 L N -0.243 121.061 121.223 0.135 0.000 2.093 499 L HA 0.111 4.453 4.340 0.003 0.000 0.208 499 L C 1.647 178.551 176.870 0.058 0.000 1.085 499 L CA 0.462 55.353 54.840 0.085 0.000 0.755 499 L CB -0.118 41.973 42.059 0.054 0.000 0.904 499 L HN 0.042 nan 8.230 nan 0.000 0.435 500 R N -0.018 120.522 120.500 0.067 0.000 2.441 500 R HA 0.051 4.393 4.340 0.003 0.000 0.284 500 R C 1.086 177.421 176.300 0.058 0.000 1.070 500 R CA -0.147 55.979 56.100 0.043 0.000 1.047 500 R CB 0.924 31.246 30.300 0.038 0.000 1.016 500 R HN -0.026 nan 8.270 nan 0.000 0.477 501 K N 1.403 121.817 120.400 0.024 0.000 2.097 501 K HA -0.240 4.082 4.320 0.003 0.000 0.206 501 K C 1.905 178.535 176.600 0.050 0.000 1.049 501 K CA 1.509 57.807 56.287 0.018 0.000 0.933 501 K CB 0.152 32.651 32.500 -0.002 0.000 0.717 501 K HN 0.511 nan 8.250 nan 0.000 0.442 502 Q N -0.066 119.759 119.800 0.043 0.000 2.083 502 Q HA -0.118 4.224 4.340 0.003 0.000 0.198 502 Q C 1.519 177.550 176.000 0.052 0.000 0.969 502 Q CA 1.931 57.758 55.803 0.039 0.000 0.838 502 Q CB 0.113 28.866 28.738 0.026 0.000 0.900 502 Q HN 0.403 nan 8.270 nan 0.000 0.436 503 T N -3.157 111.434 114.554 0.061 0.000 3.107 503 T HA -0.027 4.325 4.350 0.003 0.000 0.249 503 T C 1.304 176.049 174.700 0.075 0.000 1.096 503 T CA 0.631 62.764 62.100 0.055 0.000 1.012 503 T CB -0.183 68.709 68.868 0.039 0.000 0.977 503 T HN 0.447 nan 8.240 nan 0.000 0.527 504 H N 2.172 121.249 119.070 0.011 0.000 2.326 504 H HA 0.052 4.610 4.556 0.003 0.000 0.301 504 H C 2.016 177.355 175.328 0.018 0.000 1.081 504 H CA 2.075 58.132 56.048 0.015 0.000 1.334 504 H CB -0.488 29.281 29.762 0.012 0.000 1.385 504 H HN 0.467 nan 8.280 nan 0.000 0.504 505 N N -0.233 118.495 118.700 0.047 0.000 2.205 505 N HA -0.154 4.588 4.740 0.003 0.000 0.186 505 N C 1.109 176.581 175.510 -0.063 0.000 1.015 505 N CA 1.013 54.054 53.050 -0.014 0.000 0.862 505 N CB 0.021 38.540 38.487 0.054 0.000 0.986 505 N HN 0.435 nan 8.380 nan 0.000 0.429 506 N N 0.477 119.153 118.700 -0.040 0.000 2.392 506 N HA 0.087 4.829 4.740 0.003 0.000 0.177 506 N C 0.077 175.558 175.510 -0.048 0.000 1.066 506 N CA 0.030 53.061 53.050 -0.032 0.000 0.895 506 N CB 0.094 38.575 38.487 -0.009 0.000 0.988 506 N HN 0.136 nan 8.380 nan 0.000 0.457 507 A N 0.808 123.580 122.820 -0.080 0.000 2.520 507 A HA 0.154 4.475 4.320 0.003 0.000 0.235 507 A C 1.608 179.148 177.584 -0.073 0.000 1.065 507 A CA -0.007 51.986 52.037 -0.073 0.000 0.764 507 A CB 0.385 19.334 19.000 -0.086 0.000 1.002 507 A HN 0.101 nan 8.150 nan 0.000 0.502 508 V N 0.784 120.689 119.914 -0.015 0.000 2.992 508 V HA 0.156 4.278 4.120 0.003 0.000 0.250 508 V C 0.577 176.696 176.094 0.041 0.000 1.090 508 V CA 0.733 63.043 62.300 0.017 0.000 1.101 508 V CB -0.456 31.396 31.823 0.050 0.000 0.743 508 V HN 0.440 nan 8.190 nan 0.000 0.468 509 V N 3.041 122.978 119.914 0.038 0.000 2.288 509 V HA 0.389 4.510 4.120 0.003 0.000 0.266 509 V C 1.069 177.186 176.094 0.038 0.000 1.048 509 V CA -0.549 61.789 62.300 0.063 0.000 0.842 509 V CB 0.896 32.748 31.823 0.049 0.000 1.064 509 V HN 0.351 nan 8.190 nan 0.000 0.472 510 K N 3.993 124.416 120.400 0.038 0.000 2.515 510 K HA 0.087 4.409 4.320 0.003 0.000 0.196 510 K C 0.852 177.541 176.600 0.149 0.000 1.038 510 K CA 0.129 56.439 56.287 0.039 0.000 0.967 510 K CB -0.126 32.398 32.500 0.040 0.000 0.780 510 K HN 0.664 nan 8.250 nan 0.000 0.483 511 M N 0.526 120.195 119.600 0.116 0.000 2.259 511 M HA -0.221 4.261 4.480 0.003 0.000 0.188 511 M C -0.560 175.783 176.300 0.071 0.000 0.665 511 M CA 0.721 56.079 55.300 0.097 0.000 0.464 511 M CB -2.554 30.115 32.600 0.114 0.000 1.063 511 M HN 0.050 nan 8.290 nan 0.000 0.912 512 L N 3.180 124.434 121.223 0.053 0.000 2.331 512 L HA 0.389 4.731 4.340 0.003 0.000 0.278 512 L C -1.356 175.485 176.870 -0.048 0.000 1.106 512 L CA -1.624 53.237 54.840 0.034 0.000 0.824 512 L CB 0.800 42.897 42.059 0.063 0.000 1.142 512 L HN 0.140 nan 8.230 nan 0.000 0.443 513 P HA 0.060 nan 4.420 nan 0.000 0.281 513 P C -0.031 177.200 177.300 -0.115 0.000 1.252 513 P CA -0.368 62.599 63.100 -0.222 0.000 0.778 513 P CB 1.405 32.890 31.700 -0.359 0.000 0.895 514 S N 2.010 117.624 115.700 -0.143 0.000 2.540 514 S HA 0.127 4.599 4.470 0.003 0.000 0.218 514 S C 0.716 175.400 174.600 0.140 0.000 0.977 514 S CA -0.353 57.858 58.200 0.018 0.000 0.918 514 S CB -0.853 62.324 63.200 -0.039 0.000 0.806 514 S HN 0.310 nan 8.310 nan 0.000 0.496 515 F N 0.224 120.147 119.950 -0.046 0.000 3.034 515 F HA -0.176 4.352 4.527 0.003 0.000 0.286 515 F C -0.098 175.678 175.800 -0.040 0.000 0.804 515 F CA 0.324 58.300 58.000 -0.039 0.000 1.161 515 F CB -2.103 36.880 39.000 -0.028 0.000 1.317 515 F HN 0.155 nan 8.300 nan 0.000 0.453 516 V N 0.603 120.516 119.914 -0.001 0.000 2.370 516 V HA 0.313 4.434 4.120 0.003 0.000 0.279 516 V C 1.093 177.153 176.094 -0.057 0.000 1.029 516 V CA -0.382 61.912 62.300 -0.010 0.000 0.870 516 V CB 1.766 33.575 31.823 -0.023 0.000 0.984 516 V HN 0.198 nan 8.190 nan 0.000 0.451 517 R N 3.111 123.589 120.500 -0.037 0.000 2.334 517 R HA 0.290 4.632 4.340 0.003 0.000 0.212 517 R C 0.215 176.489 176.300 -0.044 0.000 0.897 517 R CA -0.005 56.064 56.100 -0.051 0.000 1.056 517 R CB 0.512 30.795 30.300 -0.029 0.000 1.046 517 R HN 0.805 nan 8.270 nan 0.000 0.513 518 R N -1.281 119.199 120.500 -0.034 0.000 2.716 518 R HA 0.275 4.617 4.340 0.003 0.000 0.271 518 R C -0.677 175.607 176.300 -0.027 0.000 1.028 518 R CA -0.870 55.211 56.100 -0.031 0.000 0.883 518 R CB 0.268 30.555 30.300 -0.021 0.000 1.250 518 R HN -0.114 nan 8.270 nan 0.000 0.465 519 T N -1.615 112.924 114.554 -0.025 0.000 2.766 519 T HA 0.405 4.757 4.350 0.003 0.000 0.295 519 T C -2.109 172.585 174.700 -0.010 0.000 1.024 519 T CA -1.530 60.560 62.100 -0.017 0.000 1.018 519 T CB 0.394 69.249 68.868 -0.021 0.000 1.002 519 T HN 0.407 nan 8.240 nan 0.000 0.532 520 P HA 0.176 nan 4.420 nan 0.000 0.267 520 P C 0.066 177.359 177.300 -0.011 0.000 1.205 520 P CA -0.110 62.999 63.100 0.015 0.000 0.765 520 P CB 0.313 32.052 31.700 0.065 0.000 0.828 521 D N 2.171 122.569 120.400 -0.005 0.000 2.402 521 D HA 0.106 4.748 4.640 0.003 0.000 0.216 521 D C 1.267 177.558 176.300 -0.014 0.000 1.128 521 D CA -0.065 53.927 54.000 -0.014 0.000 0.833 521 D CB -0.581 40.215 40.800 -0.007 0.000 0.971 521 D HN 0.546 nan 8.370 nan 0.000 0.503 522 G N 0.452 109.245 108.800 -0.012 0.000 2.179 522 G HA2 -0.367 3.595 3.960 0.003 0.000 0.260 522 G HA3 -0.367 3.595 3.960 0.003 0.000 0.260 522 G C 1.108 176.023 174.900 0.024 0.000 0.977 522 G CA 1.005 46.099 45.100 -0.010 0.000 0.641 522 G HN 0.579 nan 8.290 nan 0.000 0.533 523 T N -1.717 112.857 114.554 0.034 0.000 3.037 523 T HA 0.369 4.720 4.350 0.003 0.000 0.251 523 T C 0.758 175.500 174.700 0.071 0.000 1.079 523 T CA 0.765 62.892 62.100 0.044 0.000 1.067 523 T CB 0.412 69.300 68.868 0.034 0.000 0.948 523 T HN 0.391 nan 8.240 nan 0.000 0.496 524 E N 2.698 122.948 120.200 0.083 0.000 2.529 524 E HA 0.269 4.620 4.350 0.003 0.000 0.259 524 E C -0.050 176.650 176.600 0.166 0.000 0.966 524 E CA 0.385 56.853 56.400 0.113 0.000 0.937 524 E CB 0.144 29.899 29.700 0.093 0.000 0.923 524 E HN 0.384 nan 8.360 nan 0.000 0.468 525 N N 1.529 120.367 118.700 0.230 0.000 2.452 525 N HA 0.522 5.264 4.740 0.003 0.000 0.277 525 N C -0.890 174.770 175.510 0.249 0.000 1.078 525 N CA 0.155 53.332 53.050 0.211 0.000 0.947 525 N CB 1.532 40.090 38.487 0.119 0.000 1.655 525 N HN 0.569 nan 8.380 nan 0.000 0.490 526 G N 1.711 110.561 108.800 0.082 0.000 2.362 526 G HA2 0.075 4.036 3.960 0.003 0.000 0.288 526 G HA3 0.075 4.036 3.960 0.003 0.000 0.288 526 G C -2.379 172.094 174.900 -0.713 0.000 1.305 526 G CA -0.690 44.208 45.100 -0.336 0.000 0.910 526 G HN 0.455 nan 8.290 nan 0.000 0.518 527 D N 0.288 120.098 120.400 -0.983 0.000 2.481 527 D HA 0.681 5.323 4.640 0.003 0.000 0.246 527 D C -0.819 174.994 176.300 -0.812 0.000 1.109 527 D CA 0.087 53.696 54.000 -0.650 0.000 0.845 527 D CB 1.150 41.773 40.800 -0.294 0.000 1.160 527 D HN 0.263 nan 8.370 nan 0.000 0.534 528 F N 0.885 120.864 119.950 0.048 0.000 2.561 528 F HA 0.465 4.994 4.527 0.003 0.000 0.321 528 F C -0.069 175.780 175.800 0.083 0.000 1.065 528 F CA -1.212 56.823 58.000 0.058 0.000 0.934 528 F CB 1.030 40.062 39.000 0.053 0.000 1.215 528 F HN 0.001 nan 8.300 nan 0.000 0.471 529 L N 1.886 123.266 121.223 0.261 0.000 2.379 529 L HA 0.809 5.151 4.340 0.003 0.000 0.269 529 L C -0.088 176.905 176.870 0.205 0.000 1.084 529 L CA -0.602 54.373 54.840 0.224 0.000 0.802 529 L CB 1.028 43.192 42.059 0.176 0.000 1.175 529 L HN 0.821 nan 8.230 nan 0.000 0.448 530 A N 2.893 125.807 122.820 0.156 0.000 2.556 530 A HA 0.816 5.137 4.320 0.003 0.000 0.294 530 A C -1.833 175.798 177.584 0.078 0.000 1.091 530 A CA -0.465 51.647 52.037 0.126 0.000 0.704 530 A CB 1.517 20.582 19.000 0.108 0.000 1.300 530 A HN 0.423 nan 8.150 nan 0.000 0.406 531 L N 1.111 122.426 121.223 0.154 0.000 2.362 531 L HA 0.622 4.964 4.340 0.003 0.000 0.271 531 L C -0.998 176.054 176.870 0.304 0.000 1.002 531 L CA -0.246 54.719 54.840 0.208 0.000 0.818 531 L CB 1.783 43.993 42.059 0.252 0.000 1.298 531 L HN 0.750 nan 8.230 nan 0.000 0.420 532 D N 2.778 123.355 120.400 0.295 0.000 2.420 532 D HA 0.428 5.069 4.640 0.003 0.000 0.255 532 D C -1.562 174.990 176.300 0.419 0.000 1.185 532 D CA -0.153 54.011 54.000 0.272 0.000 0.904 532 D CB 0.928 41.806 40.800 0.131 0.000 1.102 532 D HN 0.260 nan 8.370 nan 0.000 0.534 533 L N 2.667 124.140 121.223 0.418 0.000 2.381 533 L HA 0.756 5.098 4.340 0.003 0.000 0.274 533 L C 0.863 177.789 176.870 0.092 0.000 0.988 533 L CA 0.244 55.306 54.840 0.370 0.000 0.824 533 L CB 1.786 44.147 42.059 0.503 0.000 1.263 533 L HN 0.522 nan 8.230 nan 0.000 0.410 534 G N 2.406 111.201 108.800 -0.007 0.000 2.367 534 G HA2 -0.077 3.885 3.960 0.003 0.000 0.181 534 G HA3 -0.077 3.885 3.960 0.003 0.000 0.181 534 G C 0.313 175.128 174.900 -0.142 0.000 1.000 534 G CA -0.070 44.851 45.100 -0.298 0.000 0.693 534 G HN 1.117 nan 8.290 nan 0.000 0.480 535 G N -0.160 108.631 108.800 -0.014 0.000 2.695 535 G HA2 0.516 4.478 3.960 0.003 0.000 0.213 535 G HA3 0.516 4.478 3.960 0.003 0.000 0.213 535 G C 1.371 176.323 174.900 0.087 0.000 1.406 535 G CA 1.341 46.446 45.100 0.008 0.000 1.049 535 G HN 0.798 nan 8.290 nan 0.000 0.573 536 T N -1.049 113.539 114.554 0.057 0.000 2.904 536 T HA 0.056 4.408 4.350 0.003 0.000 0.267 536 T C 0.686 175.439 174.700 0.090 0.000 1.059 536 T CA 0.568 62.704 62.100 0.059 0.000 1.137 536 T CB -0.087 68.791 68.868 0.016 0.000 0.879 536 T HN 0.259 nan 8.240 nan 0.000 0.467 537 N N 0.718 119.480 118.700 0.104 0.000 2.238 537 N HA 0.429 5.171 4.740 0.003 0.000 0.302 537 N C -1.737 173.914 175.510 0.234 0.000 1.072 537 N CA -0.722 52.411 53.050 0.138 0.000 0.792 537 N CB 1.940 40.468 38.487 0.067 0.000 1.425 537 N HN 0.168 nan 8.380 nan 0.000 0.478 538 F N 2.077 122.101 119.950 0.124 0.000 2.427 538 F HA 0.389 4.918 4.527 0.003 0.000 0.352 538 F C 0.097 175.965 175.800 0.114 0.000 1.100 538 F CA -0.261 57.825 58.000 0.144 0.000 1.191 538 F CB 0.453 39.567 39.000 0.191 0.000 1.128 538 F HN 0.305 nan 8.300 nan 0.000 0.533 539 R N 3.621 123.965 120.500 -0.260 0.000 2.837 539 R HA 0.752 5.093 4.340 0.003 0.000 0.271 539 R C -1.624 174.300 176.300 -0.626 0.000 0.993 539 R CA -1.241 54.592 56.100 -0.444 0.000 0.931 539 R CB 2.397 32.576 30.300 -0.201 0.000 1.206 539 R HN 0.468 nan 8.270 nan 0.000 0.474 540 V N 3.167 122.687 119.914 -0.658 0.000 2.495 540 V HA 0.530 4.652 4.120 0.003 0.000 0.298 540 V C -0.763 174.673 176.094 -1.098 0.000 1.031 540 V CA -0.757 61.069 62.300 -0.790 0.000 0.871 540 V CB 1.494 32.776 31.823 -0.901 0.000 0.988 540 V HN 0.466 nan 8.190 nan 0.000 0.432 541 L N 4.965 125.850 121.223 -0.563 0.000 2.350 541 L HA 0.704 5.046 4.340 0.003 0.000 0.260 541 L C -1.048 175.996 176.870 0.290 0.000 1.015 541 L CA -0.630 54.132 54.840 -0.130 0.000 0.821 541 L CB 2.132 44.177 42.059 -0.024 0.000 1.370 541 L HN 0.483 nan 8.230 nan 0.000 0.416 542 L N 2.266 123.751 121.223 0.436 0.000 2.404 542 L HA 0.758 5.100 4.340 0.003 0.000 0.272 542 L C -1.321 175.677 176.870 0.213 0.000 0.980 542 L CA -0.433 54.618 54.840 0.352 0.000 0.836 542 L CB 1.795 44.062 42.059 0.348 0.000 1.238 542 L HN 0.293 nan 8.230 nan 0.000 0.408 543 V N 4.962 124.980 119.914 0.172 0.000 2.448 543 V HA 0.531 4.653 4.120 0.003 0.000 0.295 543 V C -0.217 175.952 176.094 0.125 0.000 1.025 543 V CA -0.790 61.578 62.300 0.113 0.000 0.859 543 V CB 1.781 33.680 31.823 0.126 0.000 0.988 543 V HN 0.628 nan 8.190 nan 0.000 0.431 544 K N 5.442 125.875 120.400 0.055 0.000 2.293 544 K HA 0.675 4.997 4.320 0.003 0.000 0.267 544 K C -1.106 175.526 176.600 0.054 0.000 1.010 544 K CA -0.312 55.995 56.287 0.032 0.000 0.875 544 K CB 1.792 34.303 32.500 0.018 0.000 1.106 544 K HN 0.546 nan 8.250 nan 0.000 0.450 545 I N 3.309 123.945 120.570 0.109 0.000 2.474 545 I HA 0.414 4.586 4.170 0.003 0.000 0.294 545 I C -0.246 175.939 176.117 0.112 0.000 1.005 545 I CA -1.059 60.320 61.300 0.131 0.000 1.113 545 I CB 1.433 39.569 38.000 0.227 0.000 1.289 545 I HN 0.321 nan 8.210 nan 0.000 0.436 546 R N 4.080 124.639 120.500 0.099 0.000 2.483 546 R HA 0.381 4.723 4.340 0.003 0.000 0.303 546 R C -0.526 175.833 176.300 0.098 0.000 0.987 546 R CA -0.584 55.566 56.100 0.082 0.000 0.881 546 R CB 1.925 32.258 30.300 0.054 0.000 1.177 546 R HN 0.789 nan 8.270 nan 0.000 0.451 547 S N 0.401 116.156 115.700 0.092 0.000 2.661 547 S HA 0.830 5.301 4.470 0.003 0.000 0.265 547 S C 0.821 175.454 174.600 0.054 0.000 1.225 547 S CA 0.223 58.472 58.200 0.081 0.000 0.986 547 S CB 1.337 64.579 63.200 0.071 0.000 1.008 547 S HN 0.940 nan 8.310 nan 0.000 0.565 548 G N 0.866 109.689 108.800 0.039 0.000 2.451 548 G HA2 -0.167 3.795 3.960 0.003 0.000 0.208 548 G HA3 -0.167 3.795 3.960 0.003 0.000 0.208 548 G C 0.419 175.331 174.900 0.021 0.000 1.248 548 G CA 0.013 45.129 45.100 0.026 0.000 0.989 548 G HN 0.941 nan 8.290 nan 0.000 0.559 549 K N 0.725 121.135 120.400 0.017 0.000 1.975 549 K HA -0.207 4.115 4.320 0.003 0.000 0.230 549 K C 1.377 177.988 176.600 0.018 0.000 1.044 549 K CA 1.840 58.136 56.287 0.014 0.000 1.022 549 K CB -0.583 31.925 32.500 0.013 0.000 0.739 549 K HN 0.717 nan 8.250 nan 0.000 0.446 550 K N 1.960 122.373 120.400 0.023 0.000 2.292 550 K HA 0.077 4.399 4.320 0.003 0.000 0.290 550 K C -0.519 176.106 176.600 0.043 0.000 1.083 550 K CA -0.141 56.164 56.287 0.029 0.000 0.918 550 K CB 0.591 33.108 32.500 0.027 0.000 1.089 550 K HN 0.157 nan 8.250 nan 0.000 0.473 551 R N 2.523 123.055 120.500 0.052 0.000 2.308 551 R HA 0.185 4.527 4.340 0.003 0.000 0.305 551 R C -0.574 175.790 176.300 0.107 0.000 1.053 551 R CA -0.079 56.072 56.100 0.085 0.000 0.957 551 R CB 1.234 31.583 30.300 0.082 0.000 1.022 551 R HN 0.785 nan 8.270 nan 0.000 0.461 552 T N -0.899 113.723 114.554 0.113 0.000 2.912 552 T HA 0.445 4.797 4.350 0.003 0.000 0.299 552 T C -0.662 174.077 174.700 0.065 0.000 1.052 552 T CA -0.897 61.254 62.100 0.084 0.000 0.996 552 T CB 1.792 70.691 68.868 0.052 0.000 1.070 552 T HN 0.339 nan 8.240 nan 0.000 0.465 553 V N 0.448 120.366 119.914 0.007 0.000 2.531 553 V HA 0.737 4.859 4.120 0.003 0.000 0.301 553 V C -0.934 175.114 176.094 -0.077 0.000 1.034 553 V CA -0.585 61.672 62.300 -0.070 0.000 0.865 553 V CB 1.538 33.232 31.823 -0.215 0.000 0.995 553 V HN 1.150 nan 8.190 nan 0.000 0.424 554 E N 6.273 126.425 120.200 -0.081 0.000 2.185 554 E HA 0.591 4.943 4.350 0.003 0.000 0.261 554 E C -1.066 175.359 176.600 -0.292 0.000 0.879 554 E CA -0.679 55.633 56.400 -0.146 0.000 0.756 554 E CB 1.680 31.354 29.700 -0.044 0.000 1.152 554 E HN 0.878 nan 8.360 nan 0.000 0.416 555 M N 2.752 122.082 119.600 -0.449 0.000 2.644 555 M HA 0.493 4.975 4.480 0.003 0.000 0.316 555 M C -0.759 175.066 176.300 -0.792 0.000 1.200 555 M CA -0.786 54.260 55.300 -0.423 0.000 0.944 555 M CB 1.978 34.471 32.600 -0.179 0.000 1.691 555 M HN 0.423 nan 8.290 nan 0.000 0.471 556 H N 0.911 120.046 119.070 0.107 0.000 3.046 556 H HA 0.554 5.112 4.556 0.003 0.000 0.363 556 H C -1.573 173.883 175.328 0.213 0.000 1.203 556 H CA -1.096 55.041 56.048 0.150 0.000 1.169 556 H CB 1.905 31.759 29.762 0.152 0.000 1.851 556 H HN 0.822 nan 8.280 nan 0.000 0.546 557 N N 0.067 118.953 118.700 0.311 0.000 2.927 557 N HA 0.401 5.143 4.740 0.003 0.000 0.248 557 N C -1.741 173.845 175.510 0.127 0.000 1.443 557 N CA -0.908 52.231 53.050 0.149 0.000 0.870 557 N CB 2.800 41.274 38.487 -0.020 0.000 1.444 557 N HN 0.409 nan 8.380 nan 0.000 0.519 558 K N 0.876 121.208 120.400 -0.113 0.000 2.482 558 K HA 0.526 4.848 4.320 0.003 0.000 0.251 558 K C -1.361 174.977 176.600 -0.436 0.000 0.936 558 K CA -0.645 55.481 56.287 -0.268 0.000 0.791 558 K CB 1.351 33.605 32.500 -0.410 0.000 1.213 558 K HN 0.599 nan 8.250 nan 0.000 0.428 559 I N 4.234 124.548 120.570 -0.427 0.000 2.472 559 I HA 0.252 4.424 4.170 0.003 0.000 0.290 559 I C -0.869 174.940 176.117 -0.513 0.000 1.016 559 I CA -0.644 60.461 61.300 -0.325 0.000 1.348 559 I CB 0.647 38.547 38.000 -0.166 0.000 1.417 559 I HN 0.539 nan 8.210 nan 0.000 0.521 560 Y N 3.956 124.186 120.300 -0.117 0.000 2.361 560 Y HA 0.587 5.139 4.550 0.003 0.000 0.337 560 Y C 0.375 176.393 175.900 0.197 0.000 0.965 560 Y CA -0.891 57.222 58.100 0.021 0.000 1.091 560 Y CB 1.619 40.075 38.460 -0.008 0.000 1.182 560 Y HN 0.584 nan 8.280 nan 0.000 0.450 561 A N 3.835 126.823 122.820 0.280 0.000 2.332 561 A HA 0.717 5.038 4.320 0.003 0.000 0.258 561 A C -0.448 177.331 177.584 0.326 0.000 1.087 561 A CA -0.320 51.860 52.037 0.238 0.000 0.802 561 A CB 0.174 19.243 19.000 0.115 0.000 1.042 561 A HN 0.757 nan 8.150 nan 0.000 0.489 562 I N 2.222 122.892 120.570 0.167 0.000 2.493 562 I HA 0.237 4.409 4.170 0.003 0.000 0.279 562 I C -2.353 173.682 176.117 -0.138 0.000 1.045 562 I CA -1.735 59.562 61.300 -0.006 0.000 1.106 562 I CB 1.535 39.537 38.000 0.003 0.000 1.216 562 I HN 0.432 nan 8.210 nan 0.000 0.459 563 P HA -0.008 nan 4.420 nan 0.000 0.264 563 P C 1.122 178.305 177.300 -0.195 0.000 1.173 563 P CA 0.215 63.217 63.100 -0.163 0.000 0.761 563 P CB 1.195 32.795 31.700 -0.168 0.000 0.794 564 I N 2.106 122.572 120.570 -0.173 0.000 2.335 564 I HA -0.291 3.881 4.170 0.003 0.000 0.251 564 I C 1.863 177.863 176.117 -0.196 0.000 1.129 564 I CA 1.429 62.606 61.300 -0.205 0.000 1.402 564 I CB -0.101 37.802 38.000 -0.161 0.000 1.069 564 I HN 0.499 nan 8.210 nan 0.000 0.424 565 E N 1.055 121.163 120.200 -0.154 0.000 2.086 565 E HA -0.293 4.058 4.350 0.003 0.000 0.200 565 E C 2.125 178.633 176.600 -0.153 0.000 1.012 565 E CA 1.668 57.989 56.400 -0.131 0.000 0.812 565 E CB -0.485 29.150 29.700 -0.108 0.000 0.743 565 E HN 0.492 nan 8.360 nan 0.000 0.453 566 I N 0.379 120.833 120.570 -0.193 0.000 2.406 566 I HA -0.128 4.044 4.170 0.003 0.000 0.249 566 I C 2.561 178.542 176.117 -0.226 0.000 1.122 566 I CA 1.000 62.184 61.300 -0.193 0.000 1.431 566 I CB -0.488 37.361 38.000 -0.251 0.000 1.087 566 I HN 0.173 nan 8.210 nan 0.000 0.424 567 M N -0.252 119.147 119.600 -0.336 0.000 2.296 567 M HA -0.160 4.322 4.480 0.003 0.000 0.265 567 M C 1.319 177.338 176.300 -0.469 0.000 1.064 567 M CA 1.604 56.570 55.300 -0.557 0.000 1.109 567 M CB 0.020 32.105 32.600 -0.859 0.000 1.396 567 M HN 0.208 nan 8.290 nan 0.000 0.430 568 Q N -0.729 118.886 119.800 -0.308 0.000 2.141 568 Q HA 0.219 4.561 4.340 0.003 0.000 0.248 568 Q C 0.474 176.400 176.000 -0.123 0.000 0.834 568 Q CA -0.479 55.191 55.803 -0.221 0.000 1.096 568 Q CB 1.117 29.740 28.738 -0.190 0.000 1.189 568 Q HN 0.457 nan 8.270 nan 0.000 0.471 569 G N 0.057 108.793 108.800 -0.107 0.000 2.829 569 G HA2 0.173 4.135 3.960 0.003 0.000 0.173 569 G HA3 0.173 4.135 3.960 0.003 0.000 0.173 569 G C -0.123 174.778 174.900 0.002 0.000 1.476 569 G CA -0.110 44.961 45.100 -0.049 0.000 1.072 569 G HN 0.028 nan 8.290 nan 0.000 0.577 570 T N -0.073 114.495 114.554 0.024 0.000 2.897 570 T HA 0.405 4.757 4.350 0.003 0.000 0.294 570 T C 1.724 176.486 174.700 0.103 0.000 1.004 570 T CA 0.538 62.674 62.100 0.059 0.000 1.106 570 T CB 1.187 70.081 68.868 0.043 0.000 0.949 570 T HN 0.596 nan 8.240 nan 0.000 0.520 571 G N 2.424 111.308 108.800 0.139 0.000 2.545 571 G HA2 -0.258 3.704 3.960 0.003 0.000 0.222 571 G HA3 -0.258 3.704 3.960 0.003 0.000 0.222 571 G C 1.235 176.292 174.900 0.262 0.000 1.126 571 G CA 1.098 46.334 45.100 0.228 0.000 0.754 571 G HN 0.714 nan 8.290 nan 0.000 0.583 572 E N 0.364 120.647 120.200 0.138 0.000 2.230 572 E HA 0.082 4.434 4.350 0.003 0.000 0.192 572 E C 2.398 179.071 176.600 0.122 0.000 0.987 572 E CA 0.815 57.286 56.400 0.118 0.000 0.841 572 E CB -0.058 29.670 29.700 0.046 0.000 0.783 572 E HN 0.644 nan 8.360 nan 0.000 0.481 573 E N 0.370 120.626 120.200 0.094 0.000 2.208 573 E HA -0.138 4.214 4.350 0.003 0.000 0.193 573 E C 1.801 178.458 176.600 0.095 0.000 0.988 573 E CA 0.527 56.971 56.400 0.075 0.000 0.828 573 E CB -0.024 29.694 29.700 0.030 0.000 0.763 573 E HN 0.122 nan 8.360 nan 0.000 0.478 574 L N 0.018 121.305 121.223 0.107 0.000 2.023 574 L HA -0.049 4.293 4.340 0.003 0.000 0.205 574 L C 1.884 178.747 176.870 -0.012 0.000 1.073 574 L CA 1.630 56.488 54.840 0.031 0.000 0.745 574 L CB -0.323 41.742 42.059 0.010 0.000 0.900 574 L HN -0.035 nan 8.230 nan 0.000 0.435 575 F N 0.136 120.123 119.950 0.060 0.000 2.259 575 F HA -0.137 4.392 4.527 0.003 0.000 0.298 575 F C 2.231 178.039 175.800 0.013 0.000 1.088 575 F CA 1.230 59.244 58.000 0.024 0.000 1.358 575 F CB -0.597 38.406 39.000 0.004 0.000 1.040 575 F HN 0.160 nan 8.300 nan 0.000 0.505 576 D N -1.047 119.465 120.400 0.187 0.000 2.117 576 D HA -0.223 4.419 4.640 0.003 0.000 0.197 576 D C 2.008 178.366 176.300 0.096 0.000 0.987 576 D CA 1.545 55.613 54.000 0.113 0.000 0.829 576 D CB -0.607 40.250 40.800 0.095 0.000 0.961 576 D HN 0.305 nan 8.370 nan 0.000 0.460 577 H N 0.454 119.538 119.070 0.024 0.000 2.353 577 H HA -0.009 4.549 4.556 0.003 0.000 0.300 577 H C 2.131 177.462 175.328 0.006 0.000 1.090 577 H CA 1.185 57.237 56.048 0.006 0.000 1.327 577 H CB -0.360 29.388 29.762 -0.023 0.000 1.383 577 H HN 0.091 nan 8.280 nan 0.000 0.508 578 I N -0.793 119.718 120.570 -0.099 0.000 2.163 578 I HA -0.269 3.903 4.170 0.003 0.000 0.243 578 I C 2.235 178.342 176.117 -0.016 0.000 1.085 578 I CA 1.201 62.437 61.300 -0.106 0.000 1.347 578 I CB -0.198 37.691 38.000 -0.185 0.000 1.044 578 I HN 0.173 nan 8.210 nan 0.000 0.408 579 V N -0.318 119.613 119.914 0.028 0.000 2.379 579 V HA -0.257 3.865 4.120 0.003 0.000 0.245 579 V C 2.546 178.711 176.094 0.118 0.000 1.044 579 V CA 1.985 64.350 62.300 0.108 0.000 1.036 579 V CB -0.430 31.450 31.823 0.095 0.000 0.664 579 V HN 0.473 nan 8.190 nan 0.000 0.453 580 S N -1.057 114.663 115.700 0.033 0.000 2.423 580 S HA -0.265 4.206 4.470 0.003 0.000 0.238 580 S C 1.796 176.321 174.600 -0.125 0.000 1.028 580 S CA 2.207 60.403 58.200 -0.007 0.000 1.000 580 S CB -0.493 62.697 63.200 -0.016 0.000 0.797 580 S HN 0.702 nan 8.310 nan 0.000 0.487 581 C N 0.116 119.243 119.300 -0.289 0.000 2.590 581 C HA 0.407 4.869 4.460 0.003 0.000 0.272 581 C C 2.297 176.968 174.990 -0.531 0.000 1.338 581 C CA -0.475 58.149 59.018 -0.657 0.000 1.746 581 C CB -1.196 25.905 27.740 -1.065 0.000 2.020 581 C HN 0.612 nan 8.230 nan 0.000 0.531 582 I N 0.820 121.263 120.570 -0.211 0.000 2.163 582 I HA -0.190 3.982 4.170 0.003 0.000 0.240 582 I C 2.755 178.811 176.117 -0.102 0.000 1.081 582 I CA 1.644 62.905 61.300 -0.065 0.000 1.353 582 I CB -0.388 37.642 38.000 0.050 0.000 1.054 582 I HN 0.287 nan 8.210 nan 0.000 0.407 583 S N 0.439 116.103 115.700 -0.061 0.000 2.370 583 S HA -0.302 4.169 4.470 0.003 0.000 0.226 583 S C 1.729 176.291 174.600 -0.064 0.000 1.033 583 S CA 2.324 60.454 58.200 -0.117 0.000 1.011 583 S CB -0.372 62.973 63.200 0.241 0.000 0.852 583 S HN 0.536 nan 8.310 nan 0.000 0.457 584 D N -0.616 119.775 120.400 -0.015 0.000 2.117 584 D HA -0.126 4.515 4.640 0.003 0.000 0.198 584 D C 1.717 178.101 176.300 0.141 0.000 0.982 584 D CA 1.168 55.205 54.000 0.060 0.000 0.828 584 D CB -0.377 40.483 40.800 0.100 0.000 0.967 584 D HN 0.450 nan 8.370 nan 0.000 0.464 585 F N 0.676 120.627 119.950 0.003 0.000 2.171 585 F HA -0.012 4.517 4.527 0.003 0.000 0.300 585 F C 1.773 177.602 175.800 0.049 0.000 1.090 585 F CA 1.087 59.143 58.000 0.093 0.000 1.293 585 F CB -0.145 38.894 39.000 0.065 0.000 1.013 585 F HN 0.034 nan 8.300 nan 0.000 0.486 586 L N -0.512 120.582 121.223 -0.216 0.000 2.217 586 L HA -0.161 4.181 4.340 0.003 0.000 0.211 586 L C 2.023 178.758 176.870 -0.225 0.000 1.107 586 L CA 0.894 55.547 54.840 -0.312 0.000 0.783 586 L CB -0.694 41.148 42.059 -0.362 0.000 0.919 586 L HN 0.024 nan 8.230 nan 0.000 0.442 587 D N -0.529 119.796 120.400 -0.126 0.000 2.097 587 D HA -0.240 4.402 4.640 0.003 0.000 0.197 587 D C 1.885 178.168 176.300 -0.030 0.000 0.984 587 D CA 1.321 55.287 54.000 -0.057 0.000 0.826 587 D CB -0.193 40.609 40.800 0.004 0.000 0.973 587 D HN 0.277 nan 8.370 nan 0.000 0.460 588 Y N 0.424 120.623 120.300 -0.169 0.000 2.352 588 Y HA -0.081 4.471 4.550 0.003 0.000 0.292 588 Y C 1.815 177.567 175.900 -0.246 0.000 1.136 588 Y CA 1.072 59.078 58.100 -0.157 0.000 1.227 588 Y CB 0.060 38.478 38.460 -0.069 0.000 0.991 588 Y HN -0.151 nan 8.280 nan 0.000 0.545 589 M N -0.469 118.931 119.600 -0.333 0.000 2.428 589 M HA 0.274 4.756 4.480 0.003 0.000 0.239 589 M C 1.348 177.479 176.300 -0.282 0.000 1.121 589 M CA 0.843 55.898 55.300 -0.409 0.000 1.019 589 M CB -0.866 31.432 32.600 -0.503 0.000 1.485 589 M HN 0.401 nan 8.290 nan 0.000 0.484 590 G N 2.910 111.582 108.800 -0.214 0.000 2.273 590 G HA2 -0.225 3.737 3.960 0.003 0.000 0.280 590 G HA3 -0.225 3.737 3.960 0.003 0.000 0.280 590 G C 0.391 175.204 174.900 -0.145 0.000 1.047 590 G CA 0.628 45.634 45.100 -0.156 0.000 0.869 590 G HN 0.690 nan 8.290 nan 0.000 0.502 591 I N -2.740 117.732 120.570 -0.164 0.000 3.426 591 I HA 0.492 4.664 4.170 0.003 0.000 0.329 591 I C 0.294 176.325 176.117 -0.143 0.000 1.553 591 I CA -0.905 60.310 61.300 -0.141 0.000 1.019 591 I CB 0.559 38.471 38.000 -0.147 0.000 1.376 591 I HN 0.030 nan 8.210 nan 0.000 0.525 592 K N 2.131 122.452 120.400 -0.132 0.000 2.315 592 K HA 0.641 4.963 4.320 0.003 0.000 0.291 592 K C 0.650 177.217 176.600 -0.055 0.000 1.074 592 K CA 0.901 57.115 56.287 -0.122 0.000 0.936 592 K CB 0.436 32.879 32.500 -0.096 0.000 1.049 592 K HN 0.545 nan 8.250 nan 0.000 0.471 593 G N 4.248 113.030 108.800 -0.031 0.000 4.373 593 G HA2 -0.063 3.899 3.960 0.003 0.000 0.195 593 G HA3 -0.063 3.899 3.960 0.003 0.000 0.195 593 G C -2.094 172.823 174.900 0.028 0.000 1.377 593 G CA -0.439 44.673 45.100 0.019 0.000 0.858 593 G HN 0.618 nan 8.290 nan 0.000 0.307 594 P HA 0.341 nan 4.420 nan 0.000 0.266 594 P C -0.171 177.142 177.300 0.022 0.000 1.195 594 P CA 0.031 63.132 63.100 0.002 0.000 0.768 594 P CB 0.551 32.238 31.700 -0.022 0.000 0.838 595 R N 2.862 123.382 120.500 0.034 0.000 2.347 595 R HA 0.421 4.763 4.340 0.003 0.000 0.304 595 R C -0.411 175.910 176.300 0.036 0.000 1.072 595 R CA -0.045 56.087 56.100 0.052 0.000 0.980 595 R CB -0.005 30.323 30.300 0.046 0.000 0.986 595 R HN 0.429 nan 8.270 nan 0.000 0.448 596 M N 5.420 125.049 119.600 0.049 0.000 2.550 596 M HA 0.503 4.985 4.480 0.003 0.000 0.292 596 M C -2.432 173.917 176.300 0.081 0.000 1.221 596 M CA -2.269 53.055 55.300 0.040 0.000 0.873 596 M CB 2.353 34.960 32.600 0.012 0.000 1.727 596 M HN 0.408 nan 8.290 nan 0.000 0.459 597 P HA 0.394 nan 4.420 nan 0.000 0.278 597 P C -1.669 175.752 177.300 0.201 0.000 1.238 597 P CA -0.388 62.812 63.100 0.166 0.000 0.794 597 P CB 1.198 33.042 31.700 0.241 0.000 0.955 598 L N 1.934 123.262 121.223 0.175 0.000 2.431 598 L HA 0.794 5.136 4.340 0.003 0.000 0.266 598 L C -0.811 176.157 176.870 0.163 0.000 0.978 598 L CA -0.748 54.194 54.840 0.170 0.000 0.822 598 L CB 1.399 43.537 42.059 0.132 0.000 1.310 598 L HN 0.511 nan 8.230 nan 0.000 0.409 599 G N 3.405 112.303 108.800 0.164 0.000 2.343 599 G HA2 0.466 4.428 3.960 0.003 0.000 0.319 599 G HA3 0.466 4.428 3.960 0.003 0.000 0.319 599 G C -1.339 173.720 174.900 0.265 0.000 1.126 599 G CA -0.275 44.924 45.100 0.165 0.000 0.889 599 G HN 0.512 nan 8.290 nan 0.000 0.457 600 F N 3.551 123.562 119.950 0.101 0.000 2.309 600 F HA 0.378 4.906 4.527 0.003 0.000 0.366 600 F C 0.613 176.513 175.800 0.166 0.000 1.104 600 F CA -1.409 56.674 58.000 0.138 0.000 1.179 600 F CB 0.399 39.472 39.000 0.121 0.000 1.437 600 F HN 0.229 nan 8.300 nan 0.000 0.528 601 T N 6.975 121.761 114.554 0.387 0.000 2.750 601 T HA 0.094 4.446 4.350 0.003 0.000 0.286 601 T C -0.730 174.107 174.700 0.228 0.000 0.911 601 T CA 0.489 62.716 62.100 0.211 0.000 1.130 601 T CB -0.631 68.330 68.868 0.156 0.000 0.873 601 T HN 0.376 nan 8.240 nan 0.000 0.536 602 F N 3.918 123.759 119.950 -0.181 0.000 2.499 602 F HA 0.416 4.945 4.527 0.003 0.000 0.333 602 F C 0.369 176.083 175.800 -0.143 0.000 1.138 602 F CA -1.307 56.563 58.000 -0.216 0.000 0.945 602 F CB 1.338 39.937 39.000 -0.669 0.000 1.181 602 F HN 0.407 nan 8.300 nan 0.000 0.435 603 S N 5.407 120.740 115.700 -0.612 0.000 3.548 603 S HA 0.535 5.007 4.470 0.003 0.000 0.195 603 S C -0.965 172.787 174.600 -1.412 0.000 1.432 603 S CA -0.344 57.390 58.200 -0.777 0.000 1.087 603 S CB -1.060 61.826 63.200 -0.524 0.000 1.337 603 S HN 0.373 nan 8.310 nan 0.000 0.505 604 F N 0.793 120.464 119.950 -0.466 0.000 2.599 604 F HA 0.576 5.105 4.527 0.003 0.000 0.311 604 F C -2.643 173.073 175.800 -0.139 0.000 1.076 604 F CA -2.759 55.049 58.000 -0.320 0.000 0.937 604 F CB 1.417 40.114 39.000 -0.504 0.000 1.282 604 F HN 0.023 nan 8.300 nan 0.000 0.460 605 P HA 0.131 nan 4.420 nan 0.000 0.265 605 P C -0.894 176.464 177.300 0.097 0.000 1.222 605 P CA 0.040 63.191 63.100 0.085 0.000 0.767 605 P CB 0.353 32.108 31.700 0.091 0.000 0.801 606 C N 3.720 123.078 119.300 0.097 0.000 2.455 606 C HA 0.375 4.836 4.460 0.003 0.000 0.320 606 C C 0.242 175.281 174.990 0.081 0.000 1.226 606 C CA -0.218 58.858 59.018 0.097 0.000 1.569 606 C CB 1.242 29.053 27.740 0.119 0.000 2.200 606 C HN 0.456 nan 8.230 nan 0.000 0.491 607 Q N 2.714 122.555 119.800 0.068 0.000 2.349 607 Q HA 0.326 4.668 4.340 0.003 0.000 0.254 607 Q C -0.526 175.516 176.000 0.071 0.000 0.980 607 Q CA 0.692 56.541 55.803 0.077 0.000 0.924 607 Q CB 0.381 29.157 28.738 0.065 0.000 1.209 607 Q HN 0.713 nan 8.270 nan 0.000 0.445 608 Q N 1.583 121.449 119.800 0.110 0.000 2.245 608 Q HA 0.319 4.661 4.340 0.003 0.000 0.256 608 Q C 0.428 176.493 176.000 0.108 0.000 0.942 608 Q CA 0.004 55.867 55.803 0.100 0.000 0.896 608 Q CB 1.596 30.431 28.738 0.161 0.000 1.272 608 Q HN 0.813 nan 8.270 nan 0.000 0.442 609 T N -2.792 111.718 114.554 -0.073 0.000 3.001 609 T HA 0.162 4.514 4.350 0.003 0.000 0.251 609 T C 0.567 174.868 174.700 -0.665 0.000 1.040 609 T CA 0.387 62.375 62.100 -0.187 0.000 0.985 609 T CB 0.319 69.117 68.868 -0.118 0.000 1.011 609 T HN 0.543 nan 8.240 nan 0.000 0.509 610 S N -0.423 114.838 115.700 -0.731 0.000 2.727 610 S HA 0.560 5.032 4.470 0.003 0.000 0.278 610 S C 0.321 174.651 174.600 -0.449 0.000 1.186 610 S CA -0.672 56.960 58.200 -0.947 0.000 0.836 610 S CB 1.016 63.930 63.200 -0.476 0.000 1.186 610 S HN 0.002 nan 8.310 nan 0.000 0.499 611 L N 1.585 122.671 121.223 -0.229 0.000 2.046 611 L HA 0.054 4.396 4.340 0.003 0.000 0.208 611 L C 1.355 178.217 176.870 -0.014 0.000 1.077 611 L CA 2.655 57.490 54.840 -0.009 0.000 0.747 611 L CB -0.902 41.176 42.059 0.033 0.000 0.896 611 L HN 0.938 nan 8.230 nan 0.000 0.432 612 D N -1.001 119.372 120.400 -0.044 0.000 2.561 612 D HA 0.290 4.932 4.640 0.003 0.000 0.232 612 D C 0.123 176.407 176.300 -0.026 0.000 1.198 612 D CA 0.354 54.348 54.000 -0.011 0.000 0.826 612 D CB -0.146 40.653 40.800 -0.002 0.000 0.992 612 D HN 0.259 nan 8.370 nan 0.000 0.490 613 A N -0.556 122.234 122.820 -0.050 0.000 2.449 613 A HA 0.781 5.103 4.320 0.003 0.000 0.302 613 A C -0.246 177.320 177.584 -0.030 0.000 1.048 613 A CA -0.460 51.547 52.037 -0.050 0.000 0.708 613 A CB 2.028 20.980 19.000 -0.080 0.000 1.274 613 A HN 0.255 nan 8.150 nan 0.000 0.410 614 G N 1.297 110.082 108.800 -0.026 0.000 2.417 614 G HA2 0.516 4.478 3.960 0.003 0.000 0.282 614 G HA3 0.516 4.478 3.960 0.003 0.000 0.282 614 G C -1.088 173.803 174.900 -0.014 0.000 1.388 614 G CA -0.343 44.753 45.100 -0.007 0.000 1.276 614 G HN 0.620 nan 8.290 nan 0.000 0.602 615 I N 2.515 123.085 120.570 0.000 0.000 2.379 615 I HA 0.132 4.304 4.170 0.003 0.000 0.290 615 I C 0.437 176.558 176.117 0.007 0.000 1.063 615 I CA -0.622 60.675 61.300 -0.005 0.000 1.351 615 I CB 1.383 39.375 38.000 -0.012 0.000 1.410 615 I HN 0.367 nan 8.210 nan 0.000 0.505 616 L N 8.427 129.643 121.223 -0.012 0.000 2.562 616 L HA 0.058 4.400 4.340 0.003 0.000 0.271 616 L C 0.867 177.696 176.870 -0.068 0.000 1.167 616 L CA 0.952 55.763 54.840 -0.048 0.000 0.917 616 L CB 0.083 42.021 42.059 -0.201 0.000 1.187 616 L HN 0.581 nan 8.230 nan 0.000 0.482 617 I N 2.513 123.067 120.570 -0.027 0.000 2.233 617 I HA -0.060 4.112 4.170 0.003 0.000 0.243 617 I C 0.925 177.027 176.117 -0.025 0.000 1.093 617 I CA 1.189 62.484 61.300 -0.008 0.000 1.380 617 I CB -0.120 37.900 38.000 0.033 0.000 1.067 617 I HN 0.767 nan 8.210 nan 0.000 0.413 618 T N -1.938 112.591 114.554 -0.042 0.000 2.893 618 T HA 0.223 4.574 4.350 0.003 0.000 0.337 618 T C -1.994 172.715 174.700 0.015 0.000 1.587 618 T CA -0.699 61.391 62.100 -0.017 0.000 1.066 618 T CB 0.414 69.329 68.868 0.078 0.000 1.414 618 T HN 0.121 nan 8.240 nan 0.000 0.488 619 W N 1.970 123.323 121.300 0.089 0.000 2.129 619 W HA 0.537 5.199 4.660 0.003 0.000 0.349 619 W C 0.998 177.625 176.519 0.180 0.000 1.279 619 W CA -0.031 57.362 57.345 0.080 0.000 1.306 619 W CB 1.143 30.632 29.460 0.048 0.000 1.140 619 W HN 0.892 nan 8.180 nan 0.000 0.613 620 T N -1.612 113.337 114.554 0.658 0.000 2.816 620 T HA 0.563 4.915 4.350 0.003 0.000 0.299 620 T C -0.379 174.610 174.700 0.482 0.000 1.230 620 T CA -1.008 61.381 62.100 0.482 0.000 1.007 620 T CB 2.148 71.251 68.868 0.390 0.000 1.289 620 T HN 0.626 nan 8.240 nan 0.000 0.508 621 K N -0.474 120.150 120.400 0.374 0.000 1.898 621 K HA -0.211 4.111 4.320 0.003 0.000 0.256 621 K C 1.268 178.028 176.600 0.267 0.000 1.652 621 K CA 1.185 57.655 56.287 0.305 0.000 0.589 621 K CB -1.754 30.898 32.500 0.252 0.000 0.785 621 K HN 1.002 nan 8.250 nan 0.000 0.824 622 G N -0.005 108.935 108.800 0.233 0.000 3.088 622 G HA2 0.230 4.192 3.960 0.003 0.000 0.217 622 G HA3 0.230 4.192 3.960 0.003 0.000 0.217 622 G C -0.095 174.779 174.900 -0.044 0.000 1.159 622 G CA -0.178 44.962 45.100 0.068 0.000 0.760 622 G HN 0.165 nan 8.290 nan 0.000 0.550 623 F N -0.048 119.757 119.950 -0.241 0.000 2.410 623 F HA 0.561 5.090 4.527 0.003 0.000 0.334 623 F C 1.058 176.264 175.800 -0.989 0.000 1.134 623 F CA -0.246 57.313 58.000 -0.736 0.000 1.227 623 F CB 1.568 39.771 39.000 -1.328 0.000 1.194 623 F HN -0.117 nan 8.300 nan 0.000 0.571 624 K N 1.100 120.897 120.400 -1.004 0.000 3.506 624 K HA 0.396 4.718 4.320 0.003 0.000 0.154 624 K C -1.026 175.386 176.600 -0.312 0.000 0.966 624 K CA -0.119 55.741 56.287 -0.712 0.000 0.896 624 K CB 0.274 32.638 32.500 -0.226 0.000 0.679 624 K HN 0.635 nan 8.250 nan 0.000 0.422 625 A N 1.013 123.682 122.820 -0.251 0.000 2.440 625 A HA 0.308 4.629 4.320 0.003 0.000 0.251 625 A C 0.556 178.337 177.584 0.328 0.000 1.089 625 A CA 0.140 52.241 52.037 0.107 0.000 0.779 625 A CB -0.018 19.084 19.000 0.169 0.000 1.022 625 A HN 0.416 nan 8.150 nan 0.000 0.492 626 T N 0.400 115.064 114.554 0.183 0.000 2.898 626 T HA 0.330 4.682 4.350 0.003 0.000 0.301 626 T C -0.029 174.761 174.700 0.151 0.000 1.049 626 T CA 0.246 62.450 62.100 0.174 0.000 1.095 626 T CB 0.385 69.317 68.868 0.108 0.000 0.976 626 T HN 0.738 nan 8.240 nan 0.000 0.539 627 D N 0.237 120.715 120.400 0.131 0.000 2.723 627 D HA -0.161 4.481 4.640 0.003 0.000 0.236 627 D C 0.536 176.757 176.300 -0.132 0.000 1.138 627 D CA 0.592 54.633 54.000 0.070 0.000 0.676 627 D CB -1.595 39.217 40.800 0.020 0.000 1.069 627 D HN 0.708 nan 8.370 nan 0.000 0.430 628 C N -0.943 118.389 119.300 0.053 0.000 2.553 628 C HA 0.080 4.541 4.460 0.003 0.000 0.447 628 C C 1.289 176.312 174.990 0.055 0.000 1.351 628 C CA -0.170 58.844 59.018 -0.006 0.000 2.354 628 C CB 0.168 28.021 27.740 0.189 0.000 2.905 628 C HN 0.285 nan 8.230 nan 0.000 0.554 629 V N 2.450 122.350 119.914 -0.024 0.000 2.557 629 V HA 0.366 4.488 4.120 0.003 0.000 0.301 629 V C 1.423 177.559 176.094 0.070 0.000 1.026 629 V CA 2.253 64.510 62.300 -0.073 0.000 1.137 629 V CB -0.040 31.742 31.823 -0.068 0.000 0.917 629 V HN 0.891 nan 8.190 nan 0.000 0.484 630 G N 3.325 112.125 108.800 0.001 0.000 2.217 630 G HA2 -0.190 3.772 3.960 0.003 0.000 0.246 630 G HA3 -0.190 3.772 3.960 0.003 0.000 0.246 630 G C 0.187 175.011 174.900 -0.126 0.000 0.990 630 G CA 0.157 45.220 45.100 -0.061 0.000 0.627 630 G HN 0.748 nan 8.290 nan 0.000 0.522 631 H N 0.234 119.258 119.070 -0.077 0.000 2.559 631 H HA 0.476 5.034 4.556 0.003 0.000 0.343 631 H C -0.953 174.314 175.328 -0.102 0.000 1.209 631 H CA -0.349 55.649 56.048 -0.084 0.000 1.287 631 H CB 1.647 31.349 29.762 -0.100 0.000 1.650 631 H HN 0.167 nan 8.280 nan 0.000 0.567 632 D N 1.799 122.221 120.400 0.036 0.000 2.347 632 D HA 0.023 4.665 4.640 0.003 0.000 0.235 632 D C 1.320 177.560 176.300 -0.099 0.000 1.149 632 D CA -0.383 53.595 54.000 -0.036 0.000 0.850 632 D CB 1.258 42.032 40.800 -0.043 0.000 1.061 632 D HN 0.391 nan 8.370 nan 0.000 0.487 633 V N 2.743 122.574 119.914 -0.138 0.000 2.720 633 V HA -0.169 3.953 4.120 0.003 0.000 0.256 633 V C 1.823 177.850 176.094 -0.112 0.000 1.082 633 V CA 1.128 63.295 62.300 -0.222 0.000 1.101 633 V CB -0.678 30.895 31.823 -0.417 0.000 0.693 633 V HN 0.410 nan 8.190 nan 0.000 0.479 634 V N 1.070 120.961 119.914 -0.038 0.000 2.427 634 V HA -0.198 3.924 4.120 0.003 0.000 0.248 634 V C 2.782 178.843 176.094 -0.056 0.000 1.051 634 V CA 2.572 64.893 62.300 0.036 0.000 1.048 634 V CB -1.146 30.700 31.823 0.038 0.000 0.666 634 V HN 0.653 nan 8.190 nan 0.000 0.456 635 T N 0.635 115.130 114.554 -0.099 0.000 2.708 635 T HA -0.142 4.210 4.350 0.003 0.000 0.266 635 T C 1.887 176.461 174.700 -0.210 0.000 1.037 635 T CA 1.559 63.589 62.100 -0.116 0.000 1.146 635 T CB -0.304 68.516 68.868 -0.080 0.000 0.865 635 T HN 0.302 nan 8.240 nan 0.000 0.435 636 L N 0.202 121.194 121.223 -0.385 0.000 2.131 636 L HA -0.040 4.302 4.340 0.003 0.000 0.210 636 L C 2.397 178.859 176.870 -0.681 0.000 1.092 636 L CA 0.660 55.092 54.840 -0.680 0.000 0.759 636 L CB -0.465 40.834 42.059 -1.267 0.000 0.903 636 L HN 0.219 nan 8.230 nan 0.000 0.435 637 L N -0.051 120.870 121.223 -0.504 0.000 2.044 637 L HA -0.111 4.231 4.340 0.003 0.000 0.205 637 L C 2.647 179.470 176.870 -0.078 0.000 1.075 637 L CA 1.588 56.357 54.840 -0.118 0.000 0.747 637 L CB -0.413 41.649 42.059 0.004 0.000 0.903 637 L HN 0.030 nan 8.230 nan 0.000 0.435 638 R N -0.225 120.223 120.500 -0.087 0.000 2.193 638 R HA -0.131 4.211 4.340 0.003 0.000 0.229 638 R C 1.635 177.888 176.300 -0.079 0.000 1.110 638 R CA 1.301 57.364 56.100 -0.061 0.000 0.988 638 R CB -0.387 29.884 30.300 -0.048 0.000 0.871 638 R HN 0.466 nan 8.270 nan 0.000 0.458 639 D N 0.276 120.612 120.400 -0.106 0.000 2.194 639 D HA -0.027 4.615 4.640 0.003 0.000 0.204 639 D C 1.760 178.017 176.300 -0.072 0.000 0.964 639 D CA 1.144 55.091 54.000 -0.088 0.000 0.846 639 D CB -0.095 40.648 40.800 -0.094 0.000 0.962 639 D HN 0.214 nan 8.370 nan 0.000 0.490 640 A N 1.246 124.029 122.820 -0.060 0.000 1.930 640 A HA -0.120 4.202 4.320 0.003 0.000 0.217 640 A C 2.126 179.673 177.584 -0.062 0.000 1.175 640 A CA 0.734 52.759 52.037 -0.019 0.000 0.627 640 A CB -0.375 18.666 19.000 0.069 0.000 0.815 640 A HN 0.085 nan 8.150 nan 0.000 0.443 641 I N 0.175 120.693 120.570 -0.088 0.000 2.113 641 I HA -0.214 3.958 4.170 0.003 0.000 0.238 641 I C 2.282 178.266 176.117 -0.221 0.000 1.070 641 I CA 1.479 62.662 61.300 -0.194 0.000 1.332 641 I CB -1.362 36.554 38.000 -0.140 0.000 1.044 641 I HN 0.291 nan 8.210 nan 0.000 0.402 642 K N 0.694 121.012 120.400 -0.138 0.000 2.009 642 K HA -0.160 4.162 4.320 0.003 0.000 0.210 642 K C 2.153 178.686 176.600 -0.111 0.000 1.049 642 K CA 1.112 57.329 56.287 -0.117 0.000 0.929 642 K CB -0.408 32.045 32.500 -0.077 0.000 0.714 642 K HN 0.312 nan 8.250 nan 0.000 0.440 643 R N 0.493 120.939 120.500 -0.090 0.000 2.140 643 R HA -0.188 4.154 4.340 0.003 0.000 0.250 643 R C 2.434 178.684 176.300 -0.083 0.000 1.150 643 R CA 1.528 57.587 56.100 -0.069 0.000 0.966 643 R CB -0.252 30.020 30.300 -0.046 0.000 0.869 643 R HN 0.223 nan 8.270 nan 0.000 0.445 644 R N 0.867 121.289 120.500 -0.129 0.000 2.119 644 R HA -0.077 4.265 4.340 0.003 0.000 0.222 644 R C 0.126 176.333 176.300 -0.156 0.000 1.088 644 R CA 0.519 56.536 56.100 -0.138 0.000 0.984 644 R CB 0.174 30.361 30.300 -0.188 0.000 0.884 644 R HN 0.148 nan 8.270 nan 0.000 0.447 645 E N 0.125 120.204 120.200 -0.201 0.000 2.230 645 E HA -0.253 4.099 4.350 0.003 0.000 0.206 645 E C 0.012 176.529 176.600 -0.138 0.000 1.309 645 E CA 0.724 57.031 56.400 -0.155 0.000 0.697 645 E CB -0.636 29.013 29.700 -0.086 0.000 1.146 645 E HN 0.534 nan 8.360 nan 0.000 0.363 646 E N -0.341 119.715 120.200 -0.240 0.000 2.441 646 E HA 0.110 4.462 4.350 0.003 0.000 0.207 646 E C -0.096 176.555 176.600 0.084 0.000 0.803 646 E CA 0.497 56.857 56.400 -0.067 0.000 1.240 646 E CB 0.642 30.375 29.700 0.055 0.000 1.233 646 E HN 0.242 nan 8.360 nan 0.000 0.590 647 F N -0.358 119.592 119.950 0.001 0.000 2.654 647 F HA 0.560 5.089 4.527 0.003 0.000 0.308 647 F C -0.960 174.842 175.800 0.002 0.000 1.108 647 F CA -1.458 56.542 58.000 0.001 0.000 0.957 647 F CB 0.867 39.868 39.000 0.002 0.000 1.309 647 F HN -0.339 nan 8.300 nan 0.000 0.446 648 D N 1.342 121.839 120.400 0.162 0.000 2.229 648 D HA 0.724 5.366 4.640 0.003 0.000 0.249 648 D C -0.985 175.437 176.300 0.203 0.000 1.027 648 D CA -0.110 53.948 54.000 0.096 0.000 0.923 648 D CB 1.465 42.288 40.800 0.039 0.000 1.174 648 D HN 0.645 nan 8.370 nan 0.000 0.443 649 L N 1.146 122.460 121.223 0.153 0.000 2.376 649 L HA 0.402 4.744 4.340 0.003 0.000 0.258 649 L C -1.264 175.665 176.870 0.097 0.000 1.013 649 L CA -0.934 54.002 54.840 0.160 0.000 0.822 649 L CB 2.240 44.422 42.059 0.206 0.000 1.388 649 L HN 0.385 nan 8.230 nan 0.000 0.413 650 D N 1.194 121.650 120.400 0.093 0.000 2.462 650 D HA 0.305 4.947 4.640 0.003 0.000 0.249 650 D C -0.892 175.459 176.300 0.085 0.000 1.117 650 D CA -0.319 53.727 54.000 0.077 0.000 0.900 650 D CB 1.233 42.076 40.800 0.073 0.000 1.039 650 D HN 0.058 nan 8.370 nan 0.000 0.516 651 V N 4.222 124.181 119.914 0.076 0.000 2.397 651 V HA 0.065 4.187 4.120 0.003 0.000 0.262 651 V C 1.323 177.468 176.094 0.085 0.000 1.047 651 V CA -0.296 62.058 62.300 0.090 0.000 1.003 651 V CB 0.995 32.869 31.823 0.086 0.000 1.037 651 V HN 0.491 nan 8.190 nan 0.000 0.480 652 V N 3.762 123.733 119.914 0.095 0.000 3.660 652 V HA 0.512 4.634 4.120 0.003 0.000 0.276 652 V C 0.806 176.940 176.094 0.068 0.000 1.317 652 V CA 1.068 63.413 62.300 0.074 0.000 1.097 652 V CB 0.239 32.113 31.823 0.084 0.000 0.863 652 V HN 0.968 nan 8.190 nan 0.000 0.438 653 A N -0.511 122.367 122.820 0.097 0.000 2.565 653 A HA 0.643 4.964 4.320 0.003 0.000 0.298 653 A C -1.576 176.085 177.584 0.128 0.000 1.062 653 A CA -0.281 51.807 52.037 0.086 0.000 0.723 653 A CB 1.824 20.860 19.000 0.060 0.000 1.282 653 A HN 0.026 nan 8.150 nan 0.000 0.400 654 V N 3.250 123.217 119.914 0.088 0.000 2.384 654 V HA 0.760 4.882 4.120 0.003 0.000 0.287 654 V C -1.020 175.101 176.094 0.045 0.000 1.020 654 V CA -0.281 62.052 62.300 0.054 0.000 0.850 654 V CB 1.381 33.186 31.823 -0.031 0.000 0.987 654 V HN 1.021 nan 8.190 nan 0.000 0.436 655 V N 5.564 125.503 119.914 0.042 0.000 2.789 655 V HA 0.496 4.617 4.120 0.003 0.000 0.311 655 V C -0.187 175.917 176.094 0.017 0.000 1.073 655 V CA -0.961 61.361 62.300 0.035 0.000 0.921 655 V CB 2.096 33.946 31.823 0.045 0.000 1.009 655 V HN 0.927 nan 8.190 nan 0.000 0.426 656 N N 2.014 120.708 118.700 -0.009 0.000 2.515 656 N HA 0.187 4.929 4.740 0.003 0.000 0.279 656 N C 1.006 176.477 175.510 -0.065 0.000 1.164 656 N CA -0.227 52.791 53.050 -0.054 0.000 0.982 656 N CB 1.201 39.650 38.487 -0.062 0.000 1.170 656 N HN 0.824 nan 8.380 nan 0.000 0.474 657 D N 0.421 120.761 120.400 -0.100 0.000 2.218 657 D HA -0.192 4.450 4.640 0.003 0.000 0.204 657 D C 1.265 177.514 176.300 -0.086 0.000 0.976 657 D CA 1.781 55.730 54.000 -0.085 0.000 0.853 657 D CB -1.012 39.724 40.800 -0.107 0.000 0.939 657 D HN 0.692 nan 8.370 nan 0.000 0.481 658 T N -0.690 113.800 114.554 -0.106 0.000 2.708 658 T HA -0.124 4.228 4.350 0.003 0.000 0.266 658 T C 2.276 176.924 174.700 -0.086 0.000 1.037 658 T CA 1.482 63.514 62.100 -0.113 0.000 1.146 658 T CB -0.952 67.829 68.868 -0.145 0.000 0.865 658 T HN 0.094 nan 8.240 nan 0.000 0.435 659 V N 2.100 121.969 119.914 -0.075 0.000 2.358 659 V HA 0.007 4.129 4.120 0.003 0.000 0.246 659 V C 3.109 179.177 176.094 -0.044 0.000 1.047 659 V CA 1.830 64.094 62.300 -0.060 0.000 1.035 659 V CB -1.566 30.226 31.823 -0.053 0.000 0.658 659 V HN 0.673 nan 8.190 nan 0.000 0.452 660 G N -0.464 108.315 108.800 -0.035 0.000 2.422 660 G HA2 -0.218 3.743 3.960 0.003 0.000 0.218 660 G HA3 -0.218 3.743 3.960 0.003 0.000 0.218 660 G C 1.681 176.564 174.900 -0.028 0.000 1.146 660 G CA 1.466 46.552 45.100 -0.024 0.000 0.769 660 G HN 0.465 nan 8.290 nan 0.000 0.547 661 T N 0.863 115.393 114.554 -0.039 0.000 2.746 661 T HA -0.142 4.210 4.350 0.003 0.000 0.267 661 T C 2.246 176.925 174.700 -0.036 0.000 1.039 661 T CA 1.387 63.462 62.100 -0.041 0.000 1.142 661 T CB -0.195 68.638 68.868 -0.058 0.000 0.866 661 T HN 0.279 nan 8.240 nan 0.000 0.444 662 M N 0.373 119.947 119.600 -0.044 0.000 2.117 662 M HA -0.084 4.398 4.480 0.003 0.000 0.262 662 M C 2.046 178.335 176.300 -0.019 0.000 1.065 662 M CA 1.565 56.842 55.300 -0.038 0.000 1.114 662 M CB -0.216 32.355 32.600 -0.048 0.000 1.361 662 M HN 0.136 nan 8.290 nan 0.000 0.408 663 M N -0.298 119.293 119.600 -0.016 0.000 2.149 663 M HA -0.159 4.323 4.480 0.003 0.000 0.261 663 M C 2.051 178.371 176.300 0.032 0.000 1.064 663 M CA 1.765 57.067 55.300 0.003 0.000 1.102 663 M CB -1.736 30.859 32.600 -0.008 0.000 1.369 663 M HN 0.319 nan 8.290 nan 0.000 0.408 664 T N 0.376 114.938 114.554 0.014 0.000 2.684 664 T HA -0.168 4.184 4.350 0.003 0.000 0.267 664 T C 1.972 176.711 174.700 0.065 0.000 1.036 664 T CA 1.626 63.738 62.100 0.021 0.000 1.148 664 T CB -0.374 68.490 68.868 -0.007 0.000 0.863 664 T HN 0.443 nan 8.240 nan 0.000 0.436 665 C N 1.291 120.614 119.300 0.039 0.000 2.464 665 C HA 0.372 4.834 4.460 0.003 0.000 0.278 665 C C 2.994 178.012 174.990 0.046 0.000 1.375 665 C CA -0.069 58.973 59.018 0.039 0.000 1.761 665 C CB -1.218 26.527 27.740 0.008 0.000 1.944 665 C HN 0.631 nan 8.230 nan 0.000 0.509 666 A N -1.170 121.675 122.820 0.042 0.000 2.208 666 A HA -0.020 4.302 4.320 0.003 0.000 0.209 666 A C 1.686 179.303 177.584 0.054 0.000 1.161 666 A CA 0.358 52.410 52.037 0.026 0.000 0.782 666 A CB -0.721 18.282 19.000 0.005 0.000 0.816 666 A HN 0.678 nan 8.150 nan 0.000 0.477 667 Y N 1.420 121.710 120.300 -0.018 0.000 2.224 667 Y HA -0.177 4.375 4.550 0.003 0.000 0.289 667 Y C 1.544 177.439 175.900 -0.008 0.000 1.146 667 Y CA 2.370 60.463 58.100 -0.012 0.000 1.182 667 Y CB 0.060 38.515 38.460 -0.008 0.000 0.983 667 Y HN 0.401 nan 8.280 nan 0.000 0.524 668 E N -0.413 119.766 120.200 -0.034 0.000 2.431 668 E HA 0.089 4.441 4.350 0.003 0.000 0.200 668 E C -0.139 176.425 176.600 -0.060 0.000 0.995 668 E CA 0.358 56.703 56.400 -0.090 0.000 0.915 668 E CB 0.467 30.191 29.700 0.041 0.000 0.930 668 E HN 0.180 nan 8.360 nan 0.000 0.496 669 E N 0.871 121.051 120.200 -0.033 0.000 2.373 669 E HA 0.194 4.545 4.350 0.003 0.000 0.251 669 E C -2.186 174.394 176.600 -0.034 0.000 0.923 669 E CA -2.482 53.901 56.400 -0.029 0.000 0.798 669 E CB 1.242 30.933 29.700 -0.014 0.000 1.303 669 E HN -0.188 nan 8.360 nan 0.000 0.412 670 P HA -0.060 nan 4.420 nan 0.000 0.229 670 P C 0.853 178.132 177.300 -0.035 0.000 1.160 670 P CA 0.757 63.833 63.100 -0.039 0.000 0.777 670 P CB 0.182 31.856 31.700 -0.042 0.000 0.814 671 T N -3.690 110.842 114.554 -0.035 0.000 3.194 671 T HA 0.022 4.374 4.350 0.003 0.000 0.251 671 T C 0.705 175.377 174.700 -0.047 0.000 1.132 671 T CA -0.346 61.731 62.100 -0.039 0.000 1.028 671 T CB -1.569 67.275 68.868 -0.040 0.000 0.976 671 T HN 0.022 nan 8.240 nan 0.000 0.535 672 C N 2.679 121.953 119.300 -0.043 0.000 2.349 672 C HA 0.436 4.897 4.460 0.003 0.000 0.348 672 C C 0.973 175.939 174.990 -0.040 0.000 1.223 672 C CA -0.556 58.432 59.018 -0.050 0.000 1.746 672 C CB -0.901 26.815 27.740 -0.041 0.000 2.360 672 C HN 0.630 nan 8.230 nan 0.000 0.533 673 E N 3.626 123.803 120.200 -0.039 0.000 2.660 673 E HA 0.225 4.577 4.350 0.003 0.000 0.216 673 E C -0.627 175.976 176.600 0.004 0.000 0.986 673 E CA 0.038 56.428 56.400 -0.016 0.000 1.037 673 E CB 0.997 30.697 29.700 0.001 0.000 1.041 673 E HN 0.532 nan 8.360 nan 0.000 0.480 674 V N 0.504 120.402 119.914 -0.026 0.000 2.760 674 V HA 0.633 4.754 4.120 0.003 0.000 0.309 674 V C 0.097 176.154 176.094 -0.061 0.000 1.077 674 V CA -1.009 61.279 62.300 -0.020 0.000 0.910 674 V CB 2.036 33.828 31.823 -0.052 0.000 1.008 674 V HN 0.187 nan 8.190 nan 0.000 0.424 675 G N 2.521 111.280 108.800 -0.068 0.000 2.482 675 G HA2 0.743 4.705 3.960 0.003 0.000 0.317 675 G HA3 0.743 4.705 3.960 0.003 0.000 0.317 675 G C -1.906 172.909 174.900 -0.141 0.000 1.241 675 G CA -0.586 44.458 45.100 -0.094 0.000 0.967 675 G HN 0.588 nan 8.290 nan 0.000 0.482 676 L N 1.750 122.896 121.223 -0.128 0.000 2.431 676 L HA 0.715 5.057 4.340 0.003 0.000 0.266 676 L C -1.323 175.473 176.870 -0.124 0.000 0.978 676 L CA -0.943 53.811 54.840 -0.143 0.000 0.822 676 L CB 1.990 44.042 42.059 -0.013 0.000 1.310 676 L HN 0.350 nan 8.230 nan 0.000 0.409 677 I N 5.443 125.944 120.570 -0.115 0.000 2.498 677 I HA 0.497 4.669 4.170 0.003 0.000 0.290 677 I C -0.896 175.226 176.117 0.010 0.000 1.032 677 I CA -0.623 60.634 61.300 -0.072 0.000 1.073 677 I CB 2.083 40.031 38.000 -0.087 0.000 1.251 677 I HN 0.298 nan 8.210 nan 0.000 0.426 678 V N 5.810 125.730 119.914 0.010 0.000 2.385 678 V HA 0.736 4.858 4.120 0.003 0.000 0.277 678 V C 0.408 176.471 176.094 -0.052 0.000 1.012 678 V CA -0.189 62.115 62.300 0.007 0.000 0.832 678 V CB 1.027 32.831 31.823 -0.032 0.000 1.028 678 V HN 1.022 nan 8.190 nan 0.000 0.436 679 G N 2.396 111.171 108.800 -0.042 0.000 3.418 679 G HA2 0.261 4.223 3.960 0.003 0.000 0.179 679 G HA3 0.261 4.223 3.960 0.003 0.000 0.179 679 G C 0.862 175.733 174.900 -0.049 0.000 1.212 679 G CA 0.749 45.819 45.100 -0.049 0.000 0.935 679 G HN 0.317 nan 8.290 nan 0.000 0.716 680 T N 0.661 115.188 114.554 -0.044 0.000 2.652 680 T HA 0.158 4.510 4.350 0.003 0.000 0.267 680 T C 1.267 175.954 174.700 -0.022 0.000 1.039 680 T CA 1.682 63.749 62.100 -0.055 0.000 1.153 680 T CB -0.516 68.331 68.868 -0.035 0.000 0.863 680 T HN 0.692 nan 8.240 nan 0.000 0.428 681 G N -0.410 108.398 108.800 0.013 0.000 3.016 681 G HA2 0.582 4.543 3.960 0.003 0.000 0.270 681 G HA3 0.582 4.543 3.960 0.003 0.000 0.270 681 G C -1.253 173.709 174.900 0.104 0.000 1.352 681 G CA -0.456 44.702 45.100 0.096 0.000 1.060 681 G HN 0.264 nan 8.290 nan 0.000 0.538 682 S N -0.860 114.952 115.700 0.187 0.000 2.541 682 S HA 0.689 5.161 4.470 0.003 0.000 0.280 682 S C -0.967 173.810 174.600 0.295 0.000 1.112 682 S CA -0.711 57.645 58.200 0.260 0.000 0.925 682 S CB 1.730 65.166 63.200 0.394 0.000 1.067 682 S HN 0.938 nan 8.310 nan 0.000 0.479 683 N N 1.295 119.990 118.700 -0.008 0.000 3.348 683 N HA 0.712 5.454 4.740 0.003 0.000 0.233 683 N C -1.845 173.197 175.510 -0.780 0.000 1.440 683 N CA 0.029 52.792 53.050 -0.478 0.000 0.887 683 N CB 1.401 39.795 38.487 -0.156 0.000 1.410 683 N HN 0.906 nan 8.380 nan 0.000 0.502 684 A N -0.202 122.049 122.820 -0.947 0.000 2.556 684 A HA 0.819 5.141 4.320 0.003 0.000 0.294 684 A C -0.692 176.701 177.584 -0.317 0.000 1.091 684 A CA -0.309 51.308 52.037 -0.699 0.000 0.704 684 A CB 0.176 18.488 19.000 -1.148 0.000 1.300 684 A HN 1.399 nan 8.150 nan 0.000 0.406 685 C N -1.055 118.149 119.300 -0.159 0.000 3.154 685 C HA 1.067 5.529 4.460 0.003 0.000 0.312 685 C C -1.074 173.965 174.990 0.081 0.000 1.349 685 C CA -0.781 58.205 59.018 -0.053 0.000 1.518 685 C CB 0.812 28.490 27.740 -0.103 0.000 1.934 685 C HN 1.947 nan 8.230 nan 0.000 0.462 686 Y N -1.337 118.903 120.300 -0.101 0.000 2.741 686 Y HA 0.727 5.279 4.550 0.003 0.000 0.339 686 Y C -1.242 174.615 175.900 -0.073 0.000 1.226 686 Y CA -1.743 56.306 58.100 -0.085 0.000 1.072 686 Y CB 0.608 39.024 38.460 -0.073 0.000 1.331 686 Y HN 0.616 nan 8.280 nan 0.000 0.453 687 M N 2.880 122.429 119.600 -0.085 0.000 2.108 687 M HA 0.319 4.801 4.480 0.003 0.000 0.347 687 M C -0.475 175.743 176.300 -0.137 0.000 1.326 687 M CA -0.200 55.009 55.300 -0.152 0.000 1.126 687 M CB 0.231 32.801 32.600 -0.049 0.000 1.606 687 M HN 0.817 nan 8.290 nan 0.000 0.462 688 E N 2.102 122.121 120.200 -0.302 0.000 2.248 688 E HA 0.360 4.712 4.350 0.003 0.000 0.272 688 E C -0.985 175.559 176.600 -0.093 0.000 1.008 688 E CA -0.347 55.955 56.400 -0.163 0.000 0.856 688 E CB 1.061 30.590 29.700 -0.284 0.000 1.120 688 E HN 0.484 nan 8.360 nan 0.000 0.397 689 E N 2.706 122.887 120.200 -0.032 0.000 2.331 689 E HA 0.077 4.429 4.350 0.003 0.000 0.272 689 E C 0.751 177.319 176.600 -0.055 0.000 1.036 689 E CA -0.154 56.224 56.400 -0.037 0.000 0.864 689 E CB 0.628 30.321 29.700 -0.012 0.000 1.035 689 E HN 0.543 nan 8.360 nan 0.000 0.408 690 M N 2.163 121.726 119.600 -0.062 0.000 2.229 690 M HA -0.149 4.333 4.480 0.003 0.000 0.264 690 M C 1.771 178.039 176.300 -0.053 0.000 1.063 690 M CA 1.411 56.667 55.300 -0.073 0.000 1.114 690 M CB -0.522 32.035 32.600 -0.071 0.000 1.387 690 M HN 0.509 nan 8.290 nan 0.000 0.420 691 K N 0.598 120.976 120.400 -0.036 0.000 2.074 691 K HA -0.194 4.128 4.320 0.003 0.000 0.209 691 K C 1.316 177.901 176.600 -0.024 0.000 1.048 691 K CA 1.301 57.573 56.287 -0.025 0.000 0.926 691 K CB -0.101 32.390 32.500 -0.016 0.000 0.713 691 K HN 0.377 nan 8.250 nan 0.000 0.444 692 N N 0.355 119.042 118.700 -0.022 0.000 2.494 692 N HA -0.055 4.686 4.740 0.003 0.000 0.182 692 N C -0.017 175.474 175.510 -0.031 0.000 1.076 692 N CA 0.378 53.419 53.050 -0.014 0.000 0.908 692 N CB 0.316 38.807 38.487 0.008 0.000 0.967 692 N HN -0.063 nan 8.380 nan 0.000 0.449 693 V N 2.282 122.160 119.914 -0.059 0.000 2.221 693 V HA 0.095 4.217 4.120 0.003 0.000 0.258 693 V C 1.038 177.086 176.094 -0.077 0.000 1.179 693 V CA -0.180 62.070 62.300 -0.084 0.000 1.022 693 V CB 0.093 31.835 31.823 -0.134 0.000 1.228 693 V HN 0.121 nan 8.190 nan 0.000 0.487 694 E N 2.532 122.698 120.200 -0.058 0.000 2.409 694 E HA -0.090 4.262 4.350 0.003 0.000 0.198 694 E C 1.523 178.081 176.600 -0.071 0.000 1.024 694 E CA 0.628 56.998 56.400 -0.050 0.000 0.861 694 E CB 0.083 29.765 29.700 -0.030 0.000 0.788 694 E HN 0.555 nan 8.360 nan 0.000 0.521 695 M N 0.333 119.866 119.600 -0.111 0.000 2.509 695 M HA 0.088 4.570 4.480 0.003 0.000 0.250 695 M C 0.286 176.531 176.300 -0.092 0.000 1.132 695 M CA 0.425 55.637 55.300 -0.147 0.000 1.080 695 M CB 0.594 33.020 32.600 -0.290 0.000 1.408 695 M HN -0.199 nan 8.290 nan 0.000 0.484 696 V N 0.564 120.429 119.914 -0.082 0.000 2.495 696 V HA 0.261 4.383 4.120 0.003 0.000 0.298 696 V C -0.136 175.941 176.094 -0.028 0.000 1.031 696 V CA -1.111 61.166 62.300 -0.039 0.000 0.871 696 V CB 2.266 34.023 31.823 -0.110 0.000 0.988 696 V HN 0.085 nan 8.190 nan 0.000 0.432 697 E N 2.604 122.808 120.200 0.007 0.000 2.384 697 E HA 0.522 4.873 4.350 0.003 0.000 0.266 697 E C 0.289 176.889 176.600 0.001 0.000 1.012 697 E CA 1.507 57.909 56.400 0.003 0.000 0.901 697 E CB 0.852 30.561 29.700 0.015 0.000 0.967 697 E HN 1.147 nan 8.360 nan 0.000 0.435 698 G N 3.448 112.243 108.800 -0.009 0.000 2.592 698 G HA2 -0.059 3.902 3.960 0.003 0.000 0.685 698 G HA3 -0.059 3.902 3.960 0.003 0.000 0.685 698 G C -0.546 174.341 174.900 -0.023 0.000 1.278 698 G CA -0.408 44.685 45.100 -0.010 0.000 0.822 698 G HN 0.501 nan 8.290 nan 0.000 0.652 699 D N -0.189 120.199 120.400 -0.019 0.000 2.469 699 D HA 0.106 4.748 4.640 0.003 0.000 0.213 699 D C 1.016 177.302 176.300 -0.023 0.000 1.135 699 D CA 0.214 54.200 54.000 -0.023 0.000 0.834 699 D CB 0.710 41.500 40.800 -0.017 0.000 1.009 699 D HN 0.589 nan 8.370 nan 0.000 0.507 700 Q N 0.672 120.459 119.800 -0.021 0.000 2.261 700 Q HA 0.436 4.778 4.340 0.003 0.000 0.252 700 Q C 0.709 176.693 176.000 -0.026 0.000 0.915 700 Q CA 0.135 55.926 55.803 -0.019 0.000 0.915 700 Q CB 0.962 29.693 28.738 -0.012 0.000 1.204 700 Q HN 0.217 nan 8.270 nan 0.000 0.421 701 G N 2.622 111.407 108.800 -0.026 0.000 2.645 701 G HA2 -0.286 3.676 3.960 0.003 0.000 0.239 701 G HA3 -0.286 3.676 3.960 0.003 0.000 0.239 701 G C -0.886 173.986 174.900 -0.047 0.000 1.331 701 G CA -0.083 44.997 45.100 -0.033 0.000 0.890 701 G HN 0.685 nan 8.290 nan 0.000 0.572 702 Q N -1.183 118.583 119.800 -0.057 0.000 2.378 702 Q HA 0.809 5.151 4.340 0.003 0.000 0.276 702 Q C 0.065 175.997 176.000 -0.114 0.000 1.083 702 Q CA -0.812 54.943 55.803 -0.080 0.000 0.856 702 Q CB 2.294 30.992 28.738 -0.068 0.000 1.383 702 Q HN 0.781 nan 8.270 nan 0.000 0.458 703 M N 0.333 119.838 119.600 -0.159 0.000 2.484 703 M HA 0.404 4.886 4.480 0.003 0.000 0.289 703 M C -1.754 174.398 176.300 -0.246 0.000 1.206 703 M CA -0.630 54.545 55.300 -0.208 0.000 0.892 703 M CB 2.059 34.489 32.600 -0.284 0.000 1.712 703 M HN 0.843 nan 8.290 nan 0.000 0.462 704 C N 5.426 124.592 119.300 -0.224 0.000 2.576 704 C HA 0.529 4.990 4.460 0.003 0.000 0.401 704 C C -0.364 174.458 174.990 -0.281 0.000 1.314 704 C CA -0.454 58.420 59.018 -0.240 0.000 1.855 704 C CB -0.697 26.950 27.740 -0.156 0.000 2.537 704 C HN 0.643 nan 8.230 nan 0.000 0.578 705 I N 6.283 126.619 120.570 -0.391 0.000 2.378 705 I HA 0.236 4.408 4.170 0.003 0.000 0.291 705 I C 0.068 176.062 176.117 -0.205 0.000 0.992 705 I CA -0.021 61.081 61.300 -0.330 0.000 1.154 705 I CB 1.332 39.052 38.000 -0.467 0.000 1.315 705 I HN 0.705 nan 8.210 nan 0.000 0.448 706 N N 6.944 125.576 118.700 -0.113 0.000 2.482 706 N HA 0.221 4.963 4.740 0.003 0.000 0.242 706 N C 0.795 176.296 175.510 -0.015 0.000 1.100 706 N CA -0.097 52.914 53.050 -0.065 0.000 0.946 706 N CB 0.706 39.168 38.487 -0.043 0.000 1.227 706 N HN 0.511 nan 8.380 nan 0.000 0.508 707 M N 1.019 120.625 119.600 0.009 0.000 2.159 707 M HA -0.055 4.427 4.480 0.003 0.000 0.263 707 M C -0.011 176.358 176.300 0.115 0.000 1.063 707 M CA 0.907 56.261 55.300 0.091 0.000 1.110 707 M CB -0.180 32.512 32.600 0.154 0.000 1.374 707 M HN 0.385 nan 8.290 nan 0.000 0.411 708 E N 0.186 120.438 120.200 0.086 0.000 2.230 708 E HA -0.220 4.131 4.350 0.003 0.000 0.206 708 E C 0.142 176.908 176.600 0.277 0.000 1.309 708 E CA 0.673 57.158 56.400 0.141 0.000 0.697 708 E CB -1.614 28.154 29.700 0.113 0.000 1.146 708 E HN 0.807 nan 8.360 nan 0.000 0.363 709 W N -0.289 121.085 121.300 0.124 0.000 2.961 709 W HA 0.224 4.886 4.660 0.003 0.000 0.240 709 W C 1.395 178.111 176.519 0.329 0.000 1.305 709 W CA 0.612 58.057 57.345 0.167 0.000 1.465 709 W CB -1.121 28.433 29.460 0.157 0.000 1.135 709 W HN 0.158 nan 8.180 nan 0.000 0.688 710 G N 1.317 110.529 108.800 0.686 0.000 2.432 710 G HA2 -0.115 3.847 3.960 0.003 0.000 0.219 710 G HA3 -0.115 3.847 3.960 0.003 0.000 0.219 710 G C 1.648 176.772 174.900 0.374 0.000 1.135 710 G CA 1.431 46.842 45.100 0.518 0.000 0.767 710 G HN 0.437 nan 8.290 nan 0.000 0.550 711 A N -0.180 122.821 122.820 0.302 0.000 2.251 711 A HA 0.436 4.758 4.320 0.003 0.000 0.209 711 A C 0.681 178.386 177.584 0.203 0.000 1.187 711 A CA -0.648 51.510 52.037 0.202 0.000 0.823 711 A CB -0.328 18.766 19.000 0.156 0.000 0.846 711 A HN 0.255 nan 8.150 nan 0.000 0.486 712 F N 1.401 121.362 119.950 0.018 0.000 2.602 712 F HA 0.374 4.903 4.527 0.003 0.000 0.385 712 F C 1.299 177.054 175.800 -0.076 0.000 1.063 712 F CA 0.846 58.773 58.000 -0.121 0.000 1.233 712 F CB -0.150 38.599 39.000 -0.418 0.000 1.067 712 F HN 0.373 nan 8.300 nan 0.000 0.564 713 G N 4.332 113.029 108.800 -0.172 0.000 2.194 713 G HA2 -0.290 3.672 3.960 0.003 0.000 0.236 713 G HA3 -0.290 3.672 3.960 0.003 0.000 0.236 713 G C 0.799 175.646 174.900 -0.089 0.000 0.987 713 G CA 0.238 45.190 45.100 -0.248 0.000 0.635 713 G HN 0.578 nan 8.290 nan 0.000 0.520 714 D N 0.979 121.370 120.400 -0.015 0.000 2.348 714 D HA 0.011 4.653 4.640 0.003 0.000 0.216 714 D C 1.956 178.250 176.300 -0.009 0.000 0.970 714 D CA 1.227 55.225 54.000 -0.003 0.000 0.889 714 D CB -0.106 40.712 40.800 0.029 0.000 0.912 714 D HN 0.689 nan 8.370 nan 0.000 0.524 715 N N -0.616 118.078 118.700 -0.010 0.000 2.276 715 N HA 0.137 4.878 4.740 0.003 0.000 0.212 715 N C 1.181 176.674 175.510 -0.029 0.000 1.127 715 N CA 0.417 53.459 53.050 -0.013 0.000 0.834 715 N CB 0.321 38.809 38.487 0.001 0.000 1.014 715 N HN 0.037 nan 8.380 nan 0.000 0.491 716 G N -0.015 108.755 108.800 -0.050 0.000 2.159 716 G HA2 -0.347 3.614 3.960 0.003 0.000 0.256 716 G HA3 -0.347 3.614 3.960 0.003 0.000 0.256 716 G C 0.844 175.696 174.900 -0.080 0.000 0.977 716 G CA 0.220 45.282 45.100 -0.063 0.000 0.652 716 G HN 0.762 nan 8.290 nan 0.000 0.531 717 C N -0.004 119.239 119.300 -0.096 0.000 2.573 717 C HA 0.673 5.135 4.460 0.003 0.000 0.273 717 C C 1.766 176.647 174.990 -0.182 0.000 1.346 717 C CA 0.670 59.627 59.018 -0.100 0.000 1.702 717 C CB -1.112 26.607 27.740 -0.036 0.000 1.751 717 C HN 0.489 nan 8.230 nan 0.000 0.583 718 L N -0.003 121.086 121.223 -0.223 0.000 3.259 718 L HA 0.235 4.577 4.340 0.003 0.000 0.292 718 L C 1.130 177.905 176.870 -0.158 0.000 1.219 718 L CA 0.078 54.771 54.840 -0.245 0.000 1.035 718 L CB -0.163 41.670 42.059 -0.377 0.000 1.424 718 L HN 0.124 nan 8.230 nan 0.000 0.603 719 D N 1.273 121.598 120.400 -0.125 0.000 2.190 719 D HA -0.190 4.452 4.640 0.003 0.000 0.200 719 D C 1.243 177.486 176.300 -0.094 0.000 0.992 719 D CA 1.474 55.414 54.000 -0.101 0.000 0.854 719 D CB 0.109 40.860 40.800 -0.082 0.000 0.936 719 D HN 0.456 nan 8.370 nan 0.000 0.462 720 D N -0.490 119.859 120.400 -0.085 0.000 2.324 720 D HA -0.035 4.607 4.640 0.003 0.000 0.235 720 D C 1.500 177.756 176.300 -0.073 0.000 1.095 720 D CA 0.054 54.012 54.000 -0.071 0.000 0.871 720 D CB 0.213 40.981 40.800 -0.052 0.000 0.906 720 D HN 0.319 nan 8.370 nan 0.000 0.522 721 I N -0.656 119.859 120.570 -0.092 0.000 4.779 721 I HA 0.066 4.238 4.170 0.003 0.000 0.339 721 I C 0.112 176.158 176.117 -0.119 0.000 1.293 721 I CA -0.328 60.917 61.300 -0.092 0.000 1.324 721 I CB 1.039 38.990 38.000 -0.082 0.000 1.424 721 I HN -0.223 nan 8.210 nan 0.000 0.489 722 R N 1.542 121.968 120.500 -0.123 0.000 2.490 722 R HA 0.245 4.587 4.340 0.003 0.000 0.280 722 R C 0.312 176.516 176.300 -0.161 0.000 1.077 722 R CA 0.103 56.127 56.100 -0.126 0.000 1.065 722 R CB 0.885 31.123 30.300 -0.104 0.000 1.003 722 R HN 0.116 nan 8.270 nan 0.000 0.470 723 T N -2.332 112.115 114.554 -0.178 0.000 2.936 723 T HA 0.050 4.402 4.350 0.003 0.000 0.282 723 T C 1.164 175.776 174.700 -0.147 0.000 1.003 723 T CA -0.679 61.291 62.100 -0.217 0.000 1.005 723 T CB 1.284 69.973 68.868 -0.299 0.000 1.097 723 T HN 0.737 nan 8.240 nan 0.000 0.532 724 H N 0.465 119.329 119.070 -0.344 0.000 2.321 724 H HA -0.177 4.381 4.556 0.003 0.000 0.295 724 H C 1.308 176.413 175.328 -0.371 0.000 1.102 724 H CA 2.374 58.176 56.048 -0.410 0.000 1.266 724 H CB -0.715 28.654 29.762 -0.655 0.000 1.363 724 H HN 0.731 nan 8.280 nan 0.000 0.492 725 Y N 0.451 120.721 120.300 -0.049 0.000 2.293 725 Y HA -0.111 4.441 4.550 0.003 0.000 0.291 725 Y C 2.451 178.346 175.900 -0.008 0.000 1.137 725 Y CA 1.169 59.241 58.100 -0.046 0.000 1.202 725 Y CB -0.180 38.376 38.460 0.160 0.000 0.990 725 Y HN 0.343 nan 8.280 nan 0.000 0.537 726 D N -0.038 120.438 120.400 0.127 0.000 2.178 726 D HA -0.111 4.531 4.640 0.003 0.000 0.202 726 D C 1.946 178.230 176.300 -0.025 0.000 0.974 726 D CA 0.940 54.974 54.000 0.057 0.000 0.841 726 D CB -0.136 40.675 40.800 0.019 0.000 0.953 726 D HN 0.425 nan 8.370 nan 0.000 0.478 727 R N 0.153 120.602 120.500 -0.084 0.000 2.153 727 R HA 0.095 4.437 4.340 0.003 0.000 0.218 727 R C 2.529 178.766 176.300 -0.105 0.000 1.072 727 R CA 0.183 56.222 56.100 -0.102 0.000 0.990 727 R CB -0.029 30.207 30.300 -0.107 0.000 0.889 727 R HN 0.179 nan 8.270 nan 0.000 0.452 728 L N 0.200 121.353 121.223 -0.117 0.000 2.027 728 L HA -0.152 4.190 4.340 0.003 0.000 0.206 728 L C 2.351 179.295 176.870 0.123 0.000 1.074 728 L CA 1.090 55.923 54.840 -0.012 0.000 0.745 728 L CB -0.492 41.553 42.059 -0.025 0.000 0.898 728 L HN 0.005 nan 8.230 nan 0.000 0.433 729 V N 0.501 120.482 119.914 0.113 0.000 2.332 729 V HA -0.314 3.808 4.120 0.003 0.000 0.248 729 V C 2.293 178.436 176.094 0.082 0.000 1.055 729 V CA 2.241 64.626 62.300 0.141 0.000 1.038 729 V CB -0.781 31.118 31.823 0.126 0.000 0.651 729 V HN 0.538 nan 8.190 nan 0.000 0.450 730 N N 0.337 119.034 118.700 -0.004 0.000 2.142 730 N HA -0.183 4.559 4.740 0.003 0.000 0.186 730 N C 1.774 177.259 175.510 -0.041 0.000 1.023 730 N CA 1.535 54.556 53.050 -0.048 0.000 0.852 730 N CB -0.218 38.222 38.487 -0.078 0.000 0.998 730 N HN 0.354 nan 8.380 nan 0.000 0.424 731 E N -0.997 119.148 120.200 -0.091 0.000 2.268 731 E HA -0.050 4.302 4.350 0.003 0.000 0.195 731 E C 0.425 176.867 176.600 -0.263 0.000 0.995 731 E CA 0.823 57.103 56.400 -0.200 0.000 0.836 731 E CB -0.229 29.278 29.700 -0.321 0.000 0.763 731 E HN 0.520 nan 8.360 nan 0.000 0.491 732 Y N -0.370 119.940 120.300 0.017 0.000 2.524 732 Y HA 0.242 4.794 4.550 0.003 0.000 0.266 732 Y C 0.704 176.635 175.900 0.053 0.000 1.180 732 Y CA -0.150 57.969 58.100 0.032 0.000 1.244 732 Y CB -0.065 38.416 38.460 0.034 0.000 1.125 732 Y HN -0.083 nan 8.280 nan 0.000 0.524 733 S N -1.153 114.640 115.700 0.155 0.000 2.669 733 S HA 0.224 4.696 4.470 0.003 0.000 0.270 733 S C 0.986 175.661 174.600 0.125 0.000 1.225 733 S CA -0.609 57.686 58.200 0.158 0.000 0.991 733 S CB 0.933 64.217 63.200 0.140 0.000 0.987 733 S HN 0.327 nan 8.310 nan 0.000 0.552 734 L N 0.914 122.220 121.223 0.139 0.000 2.465 734 L HA 0.057 4.399 4.340 0.003 0.000 0.224 734 L C 0.413 177.355 176.870 0.119 0.000 1.145 734 L CA 0.465 55.375 54.840 0.116 0.000 0.834 734 L CB -0.677 41.450 42.059 0.113 0.000 0.944 734 L HN 0.808 nan 8.230 nan 0.000 0.451 735 N N -0.483 118.287 118.700 0.118 0.000 2.673 735 N HA 0.176 4.918 4.740 0.003 0.000 0.265 735 N C -0.402 175.144 175.510 0.060 0.000 1.709 735 N CA -0.315 52.798 53.050 0.105 0.000 0.792 735 N CB 0.090 38.665 38.487 0.146 0.000 1.286 735 N HN -0.079 nan 8.380 nan 0.000 0.506 736 A N 0.120 122.964 122.820 0.039 0.000 2.563 736 A HA 0.453 4.775 4.320 0.003 0.000 0.256 736 A C 1.609 179.191 177.584 -0.003 0.000 1.056 736 A CA 1.113 53.151 52.037 0.001 0.000 0.775 736 A CB -0.920 18.067 19.000 -0.021 0.000 0.973 736 A HN 1.507 nan 8.150 nan 0.000 0.516 737 G N 2.224 111.013 108.800 -0.019 0.000 2.232 737 G HA2 -0.194 3.768 3.960 0.003 0.000 0.226 737 G HA3 -0.194 3.768 3.960 0.003 0.000 0.226 737 G C 0.217 175.114 174.900 -0.004 0.000 0.996 737 G CA 0.521 45.611 45.100 -0.017 0.000 0.626 737 G HN 0.868 nan 8.290 nan 0.000 0.509 738 K N 0.085 120.492 120.400 0.012 0.000 2.281 738 K HA 0.635 4.957 4.320 0.003 0.000 0.242 738 K C 0.117 176.735 176.600 0.029 0.000 0.971 738 K CA -0.845 55.464 56.287 0.036 0.000 0.834 738 K CB 1.063 33.604 32.500 0.068 0.000 1.181 738 K HN 0.094 nan 8.250 nan 0.000 0.435 739 Q N 0.969 120.807 119.800 0.063 0.000 2.452 739 Q HA -0.244 4.098 4.340 0.003 0.000 0.318 739 Q C 0.356 176.364 176.000 0.013 0.000 1.386 739 Q CA 0.626 56.478 55.803 0.083 0.000 0.872 739 Q CB -1.436 27.367 28.738 0.109 0.000 1.151 739 Q HN 0.644 nan 8.270 nan 0.000 0.417 740 R N -0.374 120.136 120.500 0.016 0.000 2.073 740 R HA -0.152 4.190 4.340 0.003 0.000 0.234 740 R C 1.915 178.220 176.300 0.008 0.000 1.134 740 R CA 1.734 57.815 56.100 -0.032 0.000 0.952 740 R CB -0.273 29.994 30.300 -0.055 0.000 0.850 740 R HN 0.420 nan 8.270 nan 0.000 0.433 741 Y N 2.056 122.300 120.300 -0.094 0.000 2.128 741 Y HA -0.297 4.255 4.550 0.003 0.000 0.284 741 Y C 2.339 178.233 175.900 -0.010 0.000 1.154 741 Y CA 2.036 60.083 58.100 -0.088 0.000 1.149 741 Y CB -0.433 38.001 38.460 -0.042 0.000 0.976 741 Y HN 0.181 nan 8.280 nan 0.000 0.505 742 E N 0.265 120.495 120.200 0.050 0.000 2.085 742 E HA -0.277 4.075 4.350 0.003 0.000 0.194 742 E C 1.938 178.555 176.600 0.029 0.000 0.994 742 E CA 1.817 58.251 56.400 0.057 0.000 0.801 742 E CB -0.261 29.562 29.700 0.204 0.000 0.743 742 E HN 0.502 nan 8.360 nan 0.000 0.453 743 K N -0.274 120.041 120.400 -0.142 0.000 2.281 743 K HA -0.104 4.218 4.320 0.003 0.000 0.203 743 K C 1.889 178.449 176.600 -0.066 0.000 1.046 743 K CA 1.581 57.685 56.287 -0.305 0.000 0.938 743 K CB -0.076 32.107 32.500 -0.529 0.000 0.737 743 K HN 0.310 nan 8.250 nan 0.000 0.458 744 M N -0.454 119.119 119.600 -0.045 0.000 2.495 744 M HA 0.114 4.596 4.480 0.003 0.000 0.237 744 M C 1.330 177.633 176.300 0.005 0.000 1.131 744 M CA 0.691 55.991 55.300 -0.000 0.000 1.032 744 M CB 0.486 33.067 32.600 -0.031 0.000 1.513 744 M HN 0.092 nan 8.290 nan 0.000 0.488 745 I N -1.986 118.580 120.570 -0.006 0.000 4.033 745 I HA 0.073 4.245 4.170 0.003 0.000 0.296 745 I C 1.139 177.308 176.117 0.087 0.000 1.210 745 I CA -0.051 61.269 61.300 0.034 0.000 1.341 745 I CB 0.479 38.434 38.000 -0.075 0.000 1.369 745 I HN 0.084 nan 8.210 nan 0.000 0.453 746 S N 0.536 116.308 115.700 0.121 0.000 2.693 746 S HA 0.395 4.867 4.470 0.003 0.000 0.276 746 S C 1.183 175.806 174.600 0.038 0.000 1.192 746 S CA 0.016 58.263 58.200 0.077 0.000 0.994 746 S CB 1.442 64.715 63.200 0.122 0.000 1.012 746 S HN 0.272 nan 8.310 nan 0.000 0.550 747 G N 0.309 109.082 108.800 -0.045 0.000 2.432 747 G HA2 -0.183 3.778 3.960 0.003 0.000 0.219 747 G HA3 -0.183 3.778 3.960 0.003 0.000 0.219 747 G C 1.206 176.045 174.900 -0.101 0.000 1.135 747 G CA 0.770 45.831 45.100 -0.065 0.000 0.767 747 G HN 0.739 nan 8.290 nan 0.000 0.550 748 M N -1.021 118.443 119.600 -0.225 0.000 2.460 748 M HA 0.054 4.536 4.480 0.003 0.000 0.263 748 M C 1.334 177.338 176.300 -0.494 0.000 1.071 748 M CA 1.221 56.247 55.300 -0.456 0.000 1.096 748 M CB 0.147 32.271 32.600 -0.793 0.000 1.408 748 M HN 0.373 nan 8.290 nan 0.000 0.463 749 Y N -1.947 118.380 120.300 0.045 0.000 2.423 749 Y HA 0.208 4.760 4.550 0.003 0.000 0.257 749 Y C 1.572 177.500 175.900 0.046 0.000 1.087 749 Y CA -0.246 57.886 58.100 0.053 0.000 1.258 749 Y CB -0.101 38.390 38.460 0.053 0.000 1.237 749 Y HN -0.001 nan 8.280 nan 0.000 0.517 750 L N -0.465 120.855 121.223 0.162 0.000 2.042 750 L HA -0.177 4.165 4.340 0.003 0.000 0.210 750 L C 2.455 179.353 176.870 0.047 0.000 1.076 750 L CA 1.852 56.745 54.840 0.088 0.000 0.749 750 L CB -0.981 41.108 42.059 0.050 0.000 0.893 750 L HN 0.401 nan 8.230 nan 0.000 0.432 751 G N -0.863 107.983 108.800 0.077 0.000 2.422 751 G HA2 -0.196 3.766 3.960 0.003 0.000 0.218 751 G HA3 -0.196 3.766 3.960 0.003 0.000 0.218 751 G C 1.490 176.459 174.900 0.114 0.000 1.140 751 G CA 0.216 45.377 45.100 0.101 0.000 0.775 751 G HN 0.255 nan 8.290 nan 0.000 0.545 752 E N 0.324 120.605 120.200 0.135 0.000 2.158 752 E HA 0.032 4.384 4.350 0.003 0.000 0.191 752 E C 2.573 179.236 176.600 0.104 0.000 0.982 752 E CA 0.152 56.640 56.400 0.146 0.000 0.823 752 E CB -0.061 29.749 29.700 0.184 0.000 0.766 752 E HN 0.518 nan 8.360 nan 0.000 0.468 753 I N 0.331 120.950 120.570 0.082 0.000 2.179 753 I HA -0.239 3.933 4.170 0.003 0.000 0.242 753 I C 2.354 178.413 176.117 -0.096 0.000 1.088 753 I CA 0.784 62.116 61.300 0.053 0.000 1.357 753 I CB -0.273 37.768 38.000 0.068 0.000 1.051 753 I HN -0.076 nan 8.210 nan 0.000 0.409 754 V N 0.649 120.451 119.914 -0.187 0.000 2.407 754 V HA -0.258 3.864 4.120 0.003 0.000 0.248 754 V C 2.607 178.495 176.094 -0.343 0.000 1.055 754 V CA 1.742 63.820 62.300 -0.371 0.000 1.049 754 V CB -0.750 30.752 31.823 -0.536 0.000 0.662 754 V HN 0.376 nan 8.190 nan 0.000 0.455 755 R N 0.126 120.535 120.500 -0.151 0.000 2.075 755 R HA -0.154 4.188 4.340 0.003 0.000 0.232 755 R C 2.111 178.437 176.300 0.043 0.000 1.126 755 R CA 2.008 58.159 56.100 0.085 0.000 0.963 755 R CB -0.192 30.278 30.300 0.283 0.000 0.858 755 R HN 0.600 nan 8.270 nan 0.000 0.435 756 N N -0.084 118.629 118.700 0.022 0.000 2.270 756 N HA -0.055 4.687 4.740 0.003 0.000 0.181 756 N C 1.649 177.128 175.510 -0.051 0.000 1.016 756 N CA 1.046 54.144 53.050 0.080 0.000 0.870 756 N CB 0.043 38.660 38.487 0.216 0.000 0.979 756 N HN 0.180 nan 8.380 nan 0.000 0.431 757 I N 0.610 120.923 120.570 -0.427 0.000 2.226 757 I HA -0.261 3.911 4.170 0.003 0.000 0.245 757 I C 1.753 177.485 176.117 -0.642 0.000 1.100 757 I CA 1.033 61.784 61.300 -0.914 0.000 1.374 757 I CB -0.279 37.101 38.000 -1.034 0.000 1.057 757 I HN 0.178 nan 8.210 nan 0.000 0.413 758 L N 0.251 121.275 121.223 -0.332 0.000 2.093 758 L HA -0.199 4.143 4.340 0.003 0.000 0.208 758 L C 2.550 179.464 176.870 0.073 0.000 1.085 758 L CA 1.343 56.136 54.840 -0.078 0.000 0.755 758 L CB -0.470 41.638 42.059 0.082 0.000 0.904 758 L HN 0.234 nan 8.230 nan 0.000 0.435 759 I N 0.072 120.687 120.570 0.076 0.000 2.127 759 I HA -0.341 3.831 4.170 0.003 0.000 0.241 759 I C 2.188 178.379 176.117 0.122 0.000 1.075 759 I CA 1.493 62.865 61.300 0.121 0.000 1.334 759 I CB -0.271 37.797 38.000 0.113 0.000 1.040 759 I HN 0.252 nan 8.210 nan 0.000 0.405 760 D N 0.554 121.030 120.400 0.127 0.000 2.108 760 D HA -0.222 4.420 4.640 0.003 0.000 0.190 760 D C 2.078 178.490 176.300 0.186 0.000 0.995 760 D CA 1.592 55.698 54.000 0.176 0.000 0.834 760 D CB -0.212 40.733 40.800 0.241 0.000 0.967 760 D HN 0.109 nan 8.370 nan 0.000 0.446 761 F N 0.809 120.759 119.950 0.001 0.000 2.154 761 F HA -0.175 4.354 4.527 0.003 0.000 0.301 761 F C 2.671 178.368 175.800 -0.171 0.000 1.087 761 F CA 1.084 59.040 58.000 -0.075 0.000 1.274 761 F CB -1.340 37.698 39.000 0.064 0.000 1.009 761 F HN 0.012 nan 8.300 nan 0.000 0.485 762 T N -0.318 114.320 114.554 0.140 0.000 2.770 762 T HA -0.145 4.206 4.350 0.003 0.000 0.263 762 T C 1.971 176.682 174.700 0.018 0.000 1.039 762 T CA 1.163 63.320 62.100 0.095 0.000 1.142 762 T CB -0.139 68.856 68.868 0.210 0.000 0.868 762 T HN 0.214 nan 8.240 nan 0.000 0.435 763 K N 1.177 121.587 120.400 0.016 0.000 2.209 763 K HA -0.032 4.290 4.320 0.003 0.000 0.204 763 K C 1.749 178.284 176.600 -0.107 0.000 1.048 763 K CA 0.923 57.203 56.287 -0.011 0.000 0.940 763 K CB -0.052 32.463 32.500 0.025 0.000 0.729 763 K HN 0.307 nan 8.250 nan 0.000 0.451 764 K N -0.028 120.208 120.400 -0.273 0.000 2.476 764 K HA 0.076 4.398 4.320 0.003 0.000 0.196 764 K C 0.753 177.029 176.600 -0.540 0.000 1.025 764 K CA 0.396 56.367 56.287 -0.526 0.000 1.138 764 K CB 0.504 32.437 32.500 -0.945 0.000 0.860 764 K HN 0.288 nan 8.250 nan 0.000 0.515 765 G N 1.159 109.809 108.800 -0.250 0.000 2.155 765 G HA2 -0.262 3.700 3.960 0.003 0.000 0.257 765 G HA3 -0.262 3.700 3.960 0.003 0.000 0.257 765 G C 0.475 175.422 174.900 0.079 0.000 0.983 765 G CA 0.094 45.159 45.100 -0.057 0.000 0.676 765 G HN 0.304 nan 8.290 nan 0.000 0.528 766 F N -0.530 119.402 119.950 -0.029 0.000 2.664 766 F HA 0.527 5.056 4.527 0.003 0.000 0.296 766 F C 1.500 177.226 175.800 -0.123 0.000 1.125 766 F CA -0.161 57.776 58.000 -0.106 0.000 1.444 766 F CB 0.043 38.896 39.000 -0.244 0.000 1.114 766 F HN 0.212 nan 8.300 nan 0.000 0.576 767 L N -1.417 119.831 121.223 0.043 0.000 2.415 767 L HA 0.277 4.619 4.340 0.003 0.000 0.256 767 L C -0.579 176.225 176.870 -0.111 0.000 1.010 767 L CA -0.945 53.773 54.840 -0.204 0.000 0.826 767 L CB 1.899 43.760 42.059 -0.331 0.000 1.405 767 L HN -0.175 nan 8.230 nan 0.000 0.410 768 F N 1.052 121.056 119.950 0.089 0.000 3.097 768 F HA -0.278 4.251 4.527 0.003 0.000 0.278 768 F C 1.160 176.990 175.800 0.051 0.000 0.917 768 F CA 0.817 58.855 58.000 0.063 0.000 0.962 768 F CB -1.974 37.063 39.000 0.063 0.000 0.964 768 F HN 0.660 nan 8.300 nan 0.000 0.668 769 R N -1.697 118.907 120.500 0.174 0.000 3.741 769 R HA -0.107 4.235 4.340 0.003 0.000 0.292 769 R C 1.411 177.775 176.300 0.108 0.000 1.176 769 R CA 1.671 57.843 56.100 0.119 0.000 0.794 769 R CB -2.070 28.293 30.300 0.105 0.000 1.213 769 R HN 1.582 nan 8.270 nan 0.000 0.494 770 G N -1.835 107.035 108.800 0.116 0.000 2.189 770 G HA2 -0.371 3.591 3.960 0.003 0.000 0.267 770 G HA3 -0.371 3.591 3.960 0.003 0.000 0.267 770 G C -0.202 174.755 174.900 0.094 0.000 0.975 770 G CA 0.471 45.621 45.100 0.084 0.000 0.644 770 G HN 0.314 nan 8.290 nan 0.000 0.537 771 Q N 0.084 119.959 119.800 0.125 0.000 2.390 771 Q HA 0.618 4.960 4.340 0.003 0.000 0.249 771 Q C 0.614 176.678 176.000 0.106 0.000 0.996 771 Q CA -0.391 55.468 55.803 0.093 0.000 0.899 771 Q CB 0.645 29.424 28.738 0.069 0.000 1.216 771 Q HN 0.494 nan 8.270 nan 0.000 0.465 772 I N 2.144 122.766 120.570 0.085 0.000 2.406 772 I HA 0.039 4.211 4.170 0.003 0.000 0.293 772 I C 0.797 176.930 176.117 0.026 0.000 1.101 772 I CA -0.014 61.333 61.300 0.079 0.000 1.334 772 I CB 0.281 38.325 38.000 0.073 0.000 1.421 772 I HN 0.522 nan 8.210 nan 0.000 0.513 773 S N 5.143 120.835 115.700 -0.013 0.000 2.686 773 S HA 0.270 4.741 4.470 0.003 0.000 0.270 773 S C 1.071 175.641 174.600 -0.050 0.000 1.194 773 S CA -0.561 57.609 58.200 -0.050 0.000 0.990 773 S CB 1.300 64.434 63.200 -0.110 0.000 1.029 773 S HN 0.539 nan 8.310 nan 0.000 0.560 774 E N 0.742 120.905 120.200 -0.061 0.000 2.107 774 E HA -0.056 4.295 4.350 0.003 0.000 0.191 774 E C 2.150 178.705 176.600 -0.075 0.000 0.982 774 E CA 1.535 57.900 56.400 -0.058 0.000 0.809 774 E CB -1.090 28.577 29.700 -0.055 0.000 0.756 774 E HN 0.796 nan 8.360 nan 0.000 0.459 775 T N 2.043 116.533 114.554 -0.106 0.000 2.684 775 T HA -0.169 4.183 4.350 0.003 0.000 0.267 775 T C 1.867 176.496 174.700 -0.118 0.000 1.036 775 T CA 0.953 62.971 62.100 -0.137 0.000 1.148 775 T CB -0.306 68.448 68.868 -0.190 0.000 0.863 775 T HN 0.022 nan 8.240 nan 0.000 0.436 776 L N 0.812 121.979 121.223 -0.093 0.000 2.362 776 L HA 0.074 4.415 4.340 0.003 0.000 0.219 776 L C 1.875 178.755 176.870 0.016 0.000 1.134 776 L CA 1.616 56.450 54.840 -0.010 0.000 0.807 776 L CB -0.423 41.664 42.059 0.046 0.000 0.927 776 L HN 0.127 nan 8.230 nan 0.000 0.447 777 K N -1.519 118.871 120.400 -0.017 0.000 2.393 777 K HA 0.120 4.442 4.320 0.003 0.000 0.193 777 K C 0.232 176.812 176.600 -0.033 0.000 1.026 777 K CA 0.087 56.362 56.287 -0.020 0.000 1.064 777 K CB 0.083 32.566 32.500 -0.029 0.000 0.833 777 K HN 0.221 nan 8.250 nan 0.000 0.521 778 T N 2.237 116.767 114.554 -0.040 0.000 2.794 778 T HA 0.190 4.542 4.350 0.003 0.000 0.296 778 T C 0.054 174.740 174.700 -0.023 0.000 0.949 778 T CA -0.380 61.694 62.100 -0.043 0.000 1.101 778 T CB 0.795 69.625 68.868 -0.064 0.000 0.905 778 T HN 0.089 nan 8.240 nan 0.000 0.516 779 R N 1.724 122.215 120.500 -0.014 0.000 2.442 779 R HA 0.419 4.761 4.340 0.003 0.000 0.291 779 R C 1.419 177.729 176.300 0.017 0.000 1.069 779 R CA 0.541 56.649 56.100 0.013 0.000 1.022 779 R CB 0.283 30.587 30.300 0.007 0.000 0.976 779 R HN 1.028 nan 8.270 nan 0.000 0.443 780 G N 2.471 111.300 108.800 0.049 0.000 2.157 780 G HA2 -0.229 3.733 3.960 0.003 0.000 0.239 780 G HA3 -0.229 3.733 3.960 0.003 0.000 0.239 780 G C 0.685 175.614 174.900 0.048 0.000 0.982 780 G CA -0.272 44.856 45.100 0.047 0.000 0.650 780 G HN 0.603 nan 8.290 nan 0.000 0.527 781 I N 0.035 120.608 120.570 0.004 0.000 2.361 781 I HA 0.069 4.241 4.170 0.003 0.000 0.251 781 I C 0.984 177.012 176.117 -0.148 0.000 1.133 781 I CA 1.180 62.388 61.300 -0.152 0.000 1.413 781 I CB -0.341 37.486 38.000 -0.288 0.000 1.073 781 I HN 0.217 nan 8.210 nan 0.000 0.424 782 F N 2.678 122.686 119.950 0.096 0.000 2.560 782 F HA 0.184 4.713 4.527 0.003 0.000 0.338 782 F C 1.176 177.046 175.800 0.116 0.000 1.201 782 F CA -0.709 57.370 58.000 0.132 0.000 1.291 782 F CB -0.493 38.561 39.000 0.091 0.000 1.627 782 F HN 0.113 nan 8.300 nan 0.000 0.588 783 E N -0.729 119.631 120.200 0.266 0.000 2.391 783 E HA 0.095 4.447 4.350 0.003 0.000 0.255 783 E C 0.536 177.161 176.600 0.042 0.000 1.187 783 E CA -0.210 56.248 56.400 0.096 0.000 0.941 783 E CB 0.834 30.543 29.700 0.015 0.000 1.010 783 E HN 0.278 nan 8.360 nan 0.000 0.458 784 T N 1.012 115.550 114.554 -0.026 0.000 2.635 784 T HA -0.235 4.117 4.350 0.003 0.000 0.267 784 T C 1.600 176.253 174.700 -0.079 0.000 1.040 784 T CA 1.873 63.955 62.100 -0.029 0.000 1.156 784 T CB -0.263 68.571 68.868 -0.056 0.000 0.863 784 T HN 0.521 nan 8.240 nan 0.000 0.430 785 K N 0.222 120.494 120.400 -0.213 0.000 2.044 785 K HA -0.153 4.169 4.320 0.003 0.000 0.210 785 K C 1.914 178.330 176.600 -0.308 0.000 1.049 785 K CA 1.665 57.751 56.287 -0.335 0.000 0.927 785 K CB -0.337 31.831 32.500 -0.555 0.000 0.713 785 K HN 0.356 nan 8.250 nan 0.000 0.443 786 F N 0.729 120.696 119.950 0.028 0.000 2.293 786 F HA -0.078 4.450 4.527 0.003 0.000 0.297 786 F C 2.164 178.010 175.800 0.076 0.000 1.089 786 F CA 0.203 58.232 58.000 0.048 0.000 1.377 786 F CB -0.471 38.564 39.000 0.057 0.000 1.051 786 F HN -0.012 nan 8.300 nan 0.000 0.511 787 L N -0.135 121.223 121.223 0.225 0.000 2.017 787 L HA -0.165 4.177 4.340 0.003 0.000 0.208 787 L C 2.465 179.368 176.870 0.055 0.000 1.073 787 L CA 1.639 56.587 54.840 0.180 0.000 0.745 787 L CB -1.583 40.584 42.059 0.179 0.000 0.894 787 L HN 0.072 nan 8.230 nan 0.000 0.432 788 S N -0.785 114.890 115.700 -0.042 0.000 2.368 788 S HA -0.229 4.243 4.470 0.003 0.000 0.225 788 S C 1.803 176.291 174.600 -0.188 0.000 1.030 788 S CA 1.137 59.178 58.200 -0.265 0.000 0.999 788 S CB -0.245 62.824 63.200 -0.218 0.000 0.844 788 S HN 0.507 nan 8.310 nan 0.000 0.459 789 Q N 0.591 120.360 119.800 -0.051 0.000 2.020 789 Q HA -0.019 4.323 4.340 0.003 0.000 0.202 789 Q C 2.229 178.236 176.000 0.013 0.000 0.982 789 Q CA 1.282 57.081 55.803 -0.006 0.000 0.838 789 Q CB -0.454 28.334 28.738 0.083 0.000 0.899 789 Q HN 0.460 nan 8.270 nan 0.000 0.423 790 I N 1.090 121.703 120.570 0.071 0.000 2.315 790 I HA -0.289 3.882 4.170 0.003 0.000 0.251 790 I C 1.669 177.813 176.117 0.045 0.000 1.125 790 I CA 1.393 62.741 61.300 0.080 0.000 1.392 790 I CB -0.061 38.018 38.000 0.131 0.000 1.065 790 I HN 0.241 nan 8.210 nan 0.000 0.424 791 E N -0.709 119.493 120.200 0.004 0.000 2.474 791 E HA 0.056 4.408 4.350 0.003 0.000 0.194 791 E C 0.813 177.406 176.600 -0.012 0.000 1.041 791 E CA -0.140 56.276 56.400 0.027 0.000 0.874 791 E CB 0.300 30.027 29.700 0.045 0.000 0.914 791 E HN 0.186 nan 8.360 nan 0.000 0.498 792 S N 1.478 117.124 115.700 -0.091 0.000 2.537 792 S HA -0.046 4.426 4.470 0.003 0.000 0.286 792 S C 0.696 175.291 174.600 -0.009 0.000 1.299 792 S CA -0.424 57.711 58.200 -0.108 0.000 1.067 792 S CB 0.491 63.633 63.200 -0.097 0.000 0.864 792 S HN 0.083 nan 8.310 nan 0.000 0.494 793 D N 3.962 124.371 120.400 0.015 0.000 2.310 793 D HA -0.049 4.593 4.640 0.003 0.000 0.212 793 D C 1.764 178.072 176.300 0.013 0.000 0.965 793 D CA 0.809 54.837 54.000 0.046 0.000 0.879 793 D CB 0.035 40.876 40.800 0.069 0.000 0.921 793 D HN 0.587 nan 8.370 nan 0.000 0.510 794 R N -0.304 120.191 120.500 -0.009 0.000 2.193 794 R HA -0.024 4.318 4.340 0.003 0.000 0.229 794 R C 0.294 176.592 176.300 -0.003 0.000 1.110 794 R CA 0.321 56.415 56.100 -0.010 0.000 0.988 794 R CB 0.021 30.308 30.300 -0.023 0.000 0.871 794 R HN 0.086 nan 8.270 nan 0.000 0.458 795 L N -0.045 121.179 121.223 0.002 0.000 2.360 795 L HA 0.412 4.754 4.340 0.003 0.000 0.271 795 L C 0.018 176.895 176.870 0.013 0.000 1.057 795 L CA -0.448 54.397 54.840 0.009 0.000 0.803 795 L CB 1.527 43.594 42.059 0.013 0.000 1.207 795 L HN -0.025 nan 8.230 nan 0.000 0.445 796 A N 1.121 123.948 122.820 0.013 0.000 2.311 796 A HA 0.487 4.809 4.320 0.003 0.000 0.334 796 A C 0.774 178.368 177.584 0.017 0.000 1.139 796 A CA -0.494 51.551 52.037 0.013 0.000 0.830 796 A CB 0.573 19.579 19.000 0.009 0.000 1.234 796 A HN 0.721 nan 8.150 nan 0.000 0.483 797 L N 0.966 122.200 121.223 0.018 0.000 2.085 797 L HA -0.229 4.113 4.340 0.003 0.000 0.218 797 L C 2.172 179.056 176.870 0.022 0.000 1.080 797 L CA 2.569 57.422 54.840 0.022 0.000 0.776 797 L CB -1.020 41.050 42.059 0.020 0.000 0.891 797 L HN 0.843 nan 8.230 nan 0.000 0.437 798 L N -0.784 120.450 121.223 0.017 0.000 2.021 798 L HA -0.285 4.056 4.340 0.003 0.000 0.215 798 L C 2.457 179.336 176.870 0.014 0.000 1.074 798 L CA 2.021 56.869 54.840 0.014 0.000 0.760 798 L CB -0.698 41.367 42.059 0.010 0.000 0.889 798 L HN 0.427 nan 8.230 nan 0.000 0.433 799 Q N -1.143 118.666 119.800 0.015 0.000 2.245 799 Q HA -0.053 4.289 4.340 0.003 0.000 0.201 799 Q C 2.291 178.304 176.000 0.022 0.000 0.955 799 Q CA 1.334 57.147 55.803 0.015 0.000 0.870 799 Q CB -0.072 28.674 28.738 0.014 0.000 0.945 799 Q HN 0.516 nan 8.270 nan 0.000 0.461 800 V N 1.295 121.227 119.914 0.030 0.000 2.261 800 V HA -0.270 3.851 4.120 0.003 0.000 0.246 800 V C 2.559 178.679 176.094 0.043 0.000 1.047 800 V CA 1.915 64.241 62.300 0.043 0.000 1.015 800 V CB -0.642 31.211 31.823 0.049 0.000 0.642 800 V HN 0.335 nan 8.190 nan 0.000 0.446 801 R N 0.280 120.803 120.500 0.039 0.000 2.096 801 R HA -0.214 4.128 4.340 0.003 0.000 0.240 801 R C 2.254 178.564 176.300 0.015 0.000 1.139 801 R CA 1.984 58.108 56.100 0.040 0.000 0.952 801 R CB -0.525 29.797 30.300 0.037 0.000 0.854 801 R HN 0.500 nan 8.270 nan 0.000 0.436 802 A N 1.123 123.945 122.820 0.003 0.000 1.933 802 A HA -0.126 4.196 4.320 0.003 0.000 0.218 802 A C 2.057 179.615 177.584 -0.043 0.000 1.175 802 A CA 1.031 53.058 52.037 -0.017 0.000 0.628 802 A CB -0.340 18.654 19.000 -0.011 0.000 0.814 802 A HN 0.243 nan 8.150 nan 0.000 0.444 803 I N 0.149 120.697 120.570 -0.037 0.000 2.142 803 I HA -0.230 3.942 4.170 0.003 0.000 0.240 803 I C 2.469 178.500 176.117 -0.144 0.000 1.078 803 I CA 1.120 62.365 61.300 -0.092 0.000 1.343 803 I CB -1.465 36.513 38.000 -0.036 0.000 1.046 803 I HN 0.286 nan 8.210 nan 0.000 0.405 804 L N -0.029 121.158 121.223 -0.059 0.000 2.079 804 L HA -0.240 4.102 4.340 0.003 0.000 0.210 804 L C 2.665 179.466 176.870 -0.115 0.000 1.081 804 L CA 1.216 56.023 54.840 -0.056 0.000 0.752 804 L CB -0.620 41.487 42.059 0.079 0.000 0.896 804 L HN 0.364 nan 8.230 nan 0.000 0.433 805 Q N -0.158 119.590 119.800 -0.087 0.000 2.083 805 Q HA -0.262 4.080 4.340 0.003 0.000 0.198 805 Q C 2.184 178.104 176.000 -0.133 0.000 0.969 805 Q CA 1.720 57.464 55.803 -0.099 0.000 0.838 805 Q CB -0.230 28.471 28.738 -0.061 0.000 0.900 805 Q HN 0.624 nan 8.270 nan 0.000 0.436 806 Q N 0.978 120.690 119.800 -0.147 0.000 2.224 806 Q HA -0.082 4.260 4.340 0.003 0.000 0.203 806 Q C 1.937 177.790 176.000 -0.245 0.000 0.970 806 Q CA 0.783 56.485 55.803 -0.169 0.000 0.865 806 Q CB -0.154 28.493 28.738 -0.151 0.000 0.922 806 Q HN 0.310 nan 8.270 nan 0.000 0.445 807 L N -0.598 120.432 121.223 -0.322 0.000 2.191 807 L HA 0.000 4.342 4.340 0.003 0.000 0.212 807 L C 1.341 178.046 176.870 -0.274 0.000 1.103 807 L CA 1.151 55.762 54.840 -0.382 0.000 0.769 807 L CB -0.243 41.538 42.059 -0.463 0.000 0.908 807 L HN 0.721 nan 8.230 nan 0.000 0.438 808 G N -0.692 107.970 108.800 -0.230 0.000 2.198 808 G HA2 -0.158 3.803 3.960 0.003 0.000 0.156 808 G HA3 -0.158 3.803 3.960 0.003 0.000 0.156 808 G C -0.074 174.690 174.900 -0.227 0.000 1.012 808 G CA -0.600 44.382 45.100 -0.198 0.000 0.692 808 G HN 0.119 nan 8.290 nan 0.000 0.492 809 L N 0.852 121.922 121.223 -0.256 0.000 2.325 809 L HA 0.492 4.834 4.340 0.003 0.000 0.279 809 L C 0.451 177.162 176.870 -0.264 0.000 1.054 809 L CA -1.096 53.526 54.840 -0.363 0.000 0.804 809 L CB 1.368 43.159 42.059 -0.446 0.000 1.200 809 L HN 0.083 nan 8.230 nan 0.000 0.436 810 N N 1.659 120.178 118.700 -0.302 0.000 2.968 810 N HA 0.018 4.760 4.740 0.003 0.000 0.271 810 N C -0.763 174.773 175.510 0.042 0.000 1.174 810 N CA 0.171 53.153 53.050 -0.114 0.000 1.096 810 N CB 0.350 38.792 38.487 -0.075 0.000 1.403 810 N HN 0.481 nan 8.380 nan 0.000 0.522 811 S N 1.272 117.036 115.700 0.107 0.000 2.442 811 S HA 0.436 4.907 4.470 0.003 0.000 0.297 811 S C 0.303 175.004 174.600 0.168 0.000 1.131 811 S CA -0.698 57.678 58.200 0.293 0.000 1.092 811 S CB 0.199 63.589 63.200 0.317 0.000 0.998 811 S HN 0.556 nan 8.310 nan 0.000 0.478 812 T N 1.780 116.430 114.554 0.160 0.000 2.824 812 T HA 0.247 4.598 4.350 0.003 0.000 0.277 812 T C 1.704 176.448 174.700 0.073 0.000 0.975 812 T CA -0.533 61.621 62.100 0.090 0.000 0.966 812 T CB 0.059 68.971 68.868 0.073 0.000 1.054 812 T HN 0.671 nan 8.240 nan 0.000 0.533 813 C N 0.509 119.838 119.300 0.048 0.000 2.413 813 C HA -0.072 4.390 4.460 0.003 0.000 0.276 813 C C 2.631 177.641 174.990 0.033 0.000 1.248 813 C CA 0.803 59.844 59.018 0.038 0.000 1.742 813 C CB -1.334 26.422 27.740 0.027 0.000 2.017 813 C HN 0.877 nan 8.230 nan 0.000 0.481 814 D N 0.932 121.349 120.400 0.029 0.000 2.097 814 D HA -0.105 4.537 4.640 0.003 0.000 0.195 814 D C 1.682 177.980 176.300 -0.004 0.000 0.989 814 D CA 1.317 55.326 54.000 0.014 0.000 0.827 814 D CB -0.634 40.177 40.800 0.019 0.000 0.966 814 D HN 0.468 nan 8.370 nan 0.000 0.456 815 D N 0.271 120.671 120.400 0.001 0.000 2.116 815 D HA -0.108 4.533 4.640 0.003 0.000 0.193 815 D C 2.133 178.433 176.300 -0.000 0.000 0.998 815 D CA 1.030 55.002 54.000 -0.048 0.000 0.836 815 D CB -0.365 40.435 40.800 -0.001 0.000 0.951 815 D HN 0.075 nan 8.370 nan 0.000 0.449 816 S N 0.330 116.064 115.700 0.056 0.000 2.383 816 S HA -0.051 4.421 4.470 0.003 0.000 0.227 816 S C 2.224 176.845 174.600 0.036 0.000 1.026 816 S CA 0.371 58.614 58.200 0.071 0.000 0.981 816 S CB -0.099 63.146 63.200 0.074 0.000 0.818 816 S HN 0.291 nan 8.310 nan 0.000 0.472 817 I N 1.010 121.588 120.570 0.014 0.000 2.286 817 I HA -0.170 4.002 4.170 0.003 0.000 0.248 817 I C 2.323 178.428 176.117 -0.019 0.000 1.115 817 I CA 1.004 62.300 61.300 -0.006 0.000 1.392 817 I CB -0.344 37.643 38.000 -0.022 0.000 1.065 817 I HN 0.265 nan 8.210 nan 0.000 0.418 818 L N 0.461 121.669 121.223 -0.025 0.000 2.095 818 L HA -0.056 4.286 4.340 0.003 0.000 0.204 818 L C 2.367 179.241 176.870 0.006 0.000 1.080 818 L CA 1.505 56.332 54.840 -0.022 0.000 0.759 818 L CB -0.436 41.597 42.059 -0.043 0.000 0.914 818 L HN -0.084 nan 8.230 nan 0.000 0.439 819 V N 0.282 120.204 119.914 0.012 0.000 2.324 819 V HA -0.372 3.750 4.120 0.003 0.000 0.250 819 V C 2.675 178.765 176.094 -0.007 0.000 1.060 819 V CA 2.312 64.624 62.300 0.020 0.000 1.042 819 V CB -0.828 31.065 31.823 0.117 0.000 0.650 819 V HN 0.539 nan 8.190 nan 0.000 0.450 820 K N -0.290 120.120 120.400 0.016 0.000 2.002 820 K HA -0.193 4.129 4.320 0.003 0.000 0.209 820 K C 2.259 178.853 176.600 -0.009 0.000 1.048 820 K CA 2.047 58.343 56.287 0.015 0.000 0.930 820 K CB -0.428 32.087 32.500 0.026 0.000 0.714 820 K HN 0.488 nan 8.250 nan 0.000 0.438 821 T N 0.880 115.422 114.554 -0.020 0.000 2.665 821 T HA -0.163 4.189 4.350 0.003 0.000 0.268 821 T C 1.855 176.522 174.700 -0.054 0.000 1.035 821 T CA 1.683 63.762 62.100 -0.034 0.000 1.151 821 T CB -0.291 68.554 68.868 -0.039 0.000 0.862 821 T HN 0.023 nan 8.240 nan 0.000 0.438 822 V N 1.000 120.874 119.914 -0.067 0.000 2.255 822 V HA -0.254 3.868 4.120 0.003 0.000 0.247 822 V C 2.877 178.853 176.094 -0.197 0.000 1.051 822 V CA 1.732 63.939 62.300 -0.154 0.000 1.018 822 V CB -0.986 30.727 31.823 -0.183 0.000 0.641 822 V HN 0.617 nan 8.190 nan 0.000 0.445 823 C N 0.846 120.057 119.300 -0.149 0.000 2.403 823 C HA -0.140 4.322 4.460 0.003 0.000 0.277 823 C C 2.894 177.861 174.990 -0.039 0.000 1.248 823 C CA 0.977 59.930 59.018 -0.108 0.000 1.762 823 C CB -1.790 25.927 27.740 -0.039 0.000 2.014 823 C HN 0.735 nan 8.230 nan 0.000 0.486 824 G N -0.326 108.462 108.800 -0.021 0.000 2.403 824 G HA2 -0.096 3.865 3.960 0.003 0.000 0.216 824 G HA3 -0.096 3.865 3.960 0.003 0.000 0.216 824 G C 1.689 176.567 174.900 -0.037 0.000 1.154 824 G CA 1.004 46.112 45.100 0.014 0.000 0.784 824 G HN 0.398 nan 8.290 nan 0.000 0.538 825 V N 0.515 120.372 119.914 -0.095 0.000 2.343 825 V HA -0.162 3.960 4.120 0.003 0.000 0.247 825 V C 3.020 179.037 176.094 -0.129 0.000 1.051 825 V CA 1.546 63.783 62.300 -0.106 0.000 1.036 825 V CB -0.151 31.581 31.823 -0.152 0.000 0.654 825 V HN 0.250 nan 8.190 nan 0.000 0.451 826 V N 0.540 120.324 119.914 -0.216 0.000 2.453 826 V HA -0.164 3.958 4.120 0.003 0.000 0.247 826 V C 2.620 178.683 176.094 -0.051 0.000 1.048 826 V CA 2.037 64.229 62.300 -0.179 0.000 1.049 826 V CB -0.480 31.200 31.823 -0.237 0.000 0.672 826 V HN 0.758 nan 8.190 nan 0.000 0.457 827 S N 0.614 116.290 115.700 -0.041 0.000 2.414 827 S HA -0.197 4.275 4.470 0.003 0.000 0.227 827 S C 2.094 176.664 174.600 -0.048 0.000 1.022 827 S CA 1.230 59.404 58.200 -0.043 0.000 0.958 827 S CB -0.421 62.715 63.200 -0.108 0.000 0.797 827 S HN 0.579 nan 8.310 nan 0.000 0.493 828 R N 1.401 121.876 120.500 -0.041 0.000 2.075 828 R HA 0.068 4.410 4.340 0.003 0.000 0.232 828 R C 2.709 178.963 176.300 -0.076 0.000 1.126 828 R CA 1.068 57.128 56.100 -0.068 0.000 0.963 828 R CB -0.300 29.974 30.300 -0.044 0.000 0.858 828 R HN 0.483 nan 8.270 nan 0.000 0.435 829 R N 0.137 120.626 120.500 -0.019 0.000 2.075 829 R HA -0.068 4.274 4.340 0.003 0.000 0.232 829 R C 2.083 178.373 176.300 -0.016 0.000 1.126 829 R CA 1.383 57.488 56.100 0.009 0.000 0.963 829 R CB -0.291 30.078 30.300 0.117 0.000 0.858 829 R HN 0.305 nan 8.270 nan 0.000 0.435 830 A N 0.809 123.635 122.820 0.010 0.000 1.908 830 A HA -0.128 4.194 4.320 0.003 0.000 0.218 830 A C 2.310 179.856 177.584 -0.064 0.000 1.181 830 A CA 1.783 53.852 52.037 0.054 0.000 0.627 830 A CB -0.672 18.449 19.000 0.201 0.000 0.818 830 A HN 0.537 nan 8.150 nan 0.000 0.445 831 A N -1.126 121.479 122.820 -0.360 0.000 1.968 831 A HA -0.112 4.209 4.320 0.003 0.000 0.217 831 A C 2.088 179.423 177.584 -0.415 0.000 1.169 831 A CA 1.434 52.930 52.037 -0.903 0.000 0.638 831 A CB -0.391 17.986 19.000 -1.039 0.000 0.812 831 A HN 0.653 nan 8.150 nan 0.000 0.446 832 Q N -0.535 119.127 119.800 -0.231 0.000 2.123 832 Q HA 0.035 4.376 4.340 0.003 0.000 0.199 832 Q C 1.991 177.952 176.000 -0.065 0.000 0.966 832 Q CA 1.040 56.765 55.803 -0.131 0.000 0.845 832 Q CB -0.206 28.469 28.738 -0.104 0.000 0.907 832 Q HN 0.648 nan 8.270 nan 0.000 0.439 833 L N -0.217 120.977 121.223 -0.049 0.000 2.093 833 L HA -0.206 4.136 4.340 0.003 0.000 0.208 833 L C 2.656 179.545 176.870 0.031 0.000 1.085 833 L CA 0.646 55.502 54.840 0.027 0.000 0.755 833 L CB -0.419 41.636 42.059 -0.006 0.000 0.904 833 L HN 0.428 nan 8.230 nan 0.000 0.435 834 C N 0.236 119.511 119.300 -0.042 0.000 2.440 834 C HA -0.061 4.401 4.460 0.003 0.000 0.278 834 C C 2.848 177.924 174.990 0.144 0.000 1.295 834 C CA 0.884 59.939 59.018 0.061 0.000 1.738 834 C CB -1.194 26.678 27.740 0.220 0.000 1.987 834 C HN 0.641 nan 8.230 nan 0.000 0.492 835 G N -0.175 108.660 108.800 0.058 0.000 2.422 835 G HA2 0.028 3.990 3.960 0.003 0.000 0.218 835 G HA3 0.028 3.990 3.960 0.003 0.000 0.218 835 G C 1.912 176.872 174.900 0.101 0.000 1.140 835 G CA 0.974 46.131 45.100 0.095 0.000 0.775 835 G HN 0.721 nan 8.290 nan 0.000 0.545 836 A N 0.642 123.501 122.820 0.065 0.000 1.968 836 A HA 0.281 4.603 4.320 0.003 0.000 0.217 836 A C 2.614 180.216 177.584 0.030 0.000 1.169 836 A CA 1.804 53.870 52.037 0.049 0.000 0.638 836 A CB -0.682 18.347 19.000 0.049 0.000 0.812 836 A HN 0.433 nan 8.150 nan 0.000 0.446 837 G N -0.723 108.080 108.800 0.005 0.000 2.394 837 G HA2 -0.108 3.854 3.960 0.003 0.000 0.215 837 G HA3 -0.108 3.854 3.960 0.003 0.000 0.215 837 G C 1.501 176.523 174.900 0.203 0.000 1.165 837 G CA 1.295 46.325 45.100 -0.116 0.000 0.784 837 G HN 0.423 nan 8.290 nan 0.000 0.535 838 M N 1.692 121.513 119.600 0.368 0.000 2.132 838 M HA 0.231 4.713 4.480 0.003 0.000 0.263 838 M C 2.651 179.064 176.300 0.189 0.000 1.065 838 M CA 1.490 57.028 55.300 0.396 0.000 1.122 838 M CB -0.475 32.399 32.600 0.456 0.000 1.365 838 M HN 0.218 nan 8.290 nan 0.000 0.411 839 A N 0.109 123.015 122.820 0.144 0.000 1.884 839 A HA -0.139 4.183 4.320 0.003 0.000 0.219 839 A C 2.419 180.016 177.584 0.022 0.000 1.197 839 A CA 2.685 54.767 52.037 0.074 0.000 0.637 839 A CB -1.643 17.390 19.000 0.055 0.000 0.827 839 A HN 0.678 nan 8.150 nan 0.000 0.450 840 A N -0.753 122.069 122.820 0.003 0.000 1.865 840 A HA -0.053 4.269 4.320 0.003 0.000 0.217 840 A C 2.271 179.804 177.584 -0.086 0.000 1.191 840 A CA 2.073 54.080 52.037 -0.051 0.000 0.623 840 A CB -1.226 17.717 19.000 -0.095 0.000 0.826 840 A HN 0.499 nan 8.150 nan 0.000 0.444 841 V N 0.369 120.235 119.914 -0.081 0.000 2.231 841 V HA -0.311 3.810 4.120 0.003 0.000 0.248 841 V C 2.786 178.748 176.094 -0.219 0.000 1.054 841 V CA 2.380 64.535 62.300 -0.242 0.000 1.015 841 V CB -1.210 30.494 31.823 -0.197 0.000 0.638 841 V HN 0.640 nan 8.190 nan 0.000 0.444 842 V N -1.669 118.182 119.914 -0.105 0.000 2.490 842 V HA -0.227 3.895 4.120 0.003 0.000 0.250 842 V C 2.113 178.161 176.094 -0.077 0.000 1.061 842 V CA 2.450 64.697 62.300 -0.088 0.000 1.064 842 V CB -0.919 30.874 31.823 -0.051 0.000 0.670 842 V HN 0.455 nan 8.190 nan 0.000 0.461 843 D N 0.675 121.037 120.400 -0.063 0.000 2.144 843 D HA -0.149 4.493 4.640 0.003 0.000 0.199 843 D C 2.175 178.438 176.300 -0.063 0.000 0.984 843 D CA 1.781 55.752 54.000 -0.049 0.000 0.834 843 D CB -0.230 40.547 40.800 -0.038 0.000 0.955 843 D HN 0.620 nan 8.370 nan 0.000 0.465 844 K N 0.399 120.740 120.400 -0.099 0.000 2.148 844 K HA -0.109 4.212 4.320 0.003 0.000 0.204 844 K C 2.263 178.819 176.600 -0.072 0.000 1.050 844 K CA 0.911 57.140 56.287 -0.096 0.000 0.942 844 K CB -0.128 32.292 32.500 -0.134 0.000 0.724 844 K HN 0.293 nan 8.250 nan 0.000 0.446 845 I N -0.400 120.114 120.570 -0.094 0.000 2.193 845 I HA -0.217 3.954 4.170 0.003 0.000 0.240 845 I C 2.530 178.636 176.117 -0.017 0.000 1.084 845 I CA 1.007 62.290 61.300 -0.027 0.000 1.365 845 I CB -0.396 37.606 38.000 0.004 0.000 1.064 845 I HN 0.094 nan 8.210 nan 0.000 0.410 846 R N 1.599 122.082 120.500 -0.028 0.000 2.115 846 R HA -0.309 4.032 4.340 0.003 0.000 0.239 846 R C 2.352 178.643 176.300 -0.014 0.000 1.133 846 R CA 2.693 58.781 56.100 -0.020 0.000 0.935 846 R CB -0.828 29.459 30.300 -0.022 0.000 0.853 846 R HN 0.775 nan 8.270 nan 0.000 0.433 847 E N -0.372 119.818 120.200 -0.017 0.000 2.347 847 E HA -0.123 4.229 4.350 0.003 0.000 0.196 847 E C 1.107 177.702 176.600 -0.008 0.000 1.008 847 E CA 1.046 57.438 56.400 -0.013 0.000 0.852 847 E CB -0.192 29.499 29.700 -0.016 0.000 0.783 847 E HN 0.576 nan 8.360 nan 0.000 0.505 848 N N 0.529 119.226 118.700 -0.005 0.000 2.300 848 N HA -0.007 4.735 4.740 0.003 0.000 0.179 848 N C 1.586 177.098 175.510 0.003 0.000 1.016 848 N CA 0.362 53.414 53.050 0.003 0.000 0.876 848 N CB 0.040 38.536 38.487 0.016 0.000 0.979 848 N HN 0.126 nan 8.380 nan 0.000 0.432 849 R N 0.320 120.821 120.500 0.001 0.000 2.323 849 R HA 0.046 4.388 4.340 0.003 0.000 0.198 849 R C 1.109 177.407 176.300 -0.003 0.000 0.988 849 R CA 0.443 56.542 56.100 -0.001 0.000 1.041 849 R CB 0.168 30.467 30.300 -0.001 0.000 0.926 849 R HN 0.238 nan 8.270 nan 0.000 0.476 850 G N 0.886 109.684 108.800 -0.004 0.000 2.184 850 G HA2 -0.293 3.668 3.960 0.003 0.000 0.264 850 G HA3 -0.293 3.668 3.960 0.003 0.000 0.264 850 G C 0.191 175.088 174.900 -0.005 0.000 0.975 850 G CA -0.115 44.982 45.100 -0.004 0.000 0.642 850 G HN 0.179 nan 8.290 nan 0.000 0.536 851 L N 0.204 121.423 121.223 -0.006 0.000 2.452 851 L HA 0.331 4.673 4.340 0.003 0.000 0.267 851 L C 1.359 178.225 176.870 -0.007 0.000 1.188 851 L CA -0.201 54.635 54.840 -0.007 0.000 0.821 851 L CB 0.470 42.524 42.059 -0.008 0.000 1.102 851 L HN 0.003 nan 8.230 nan 0.000 0.470 852 D N 0.308 120.704 120.400 -0.006 0.000 2.394 852 D HA 0.033 4.674 4.640 0.003 0.000 0.226 852 D C 0.470 176.767 176.300 -0.005 0.000 0.990 852 D CA 0.667 54.664 54.000 -0.005 0.000 0.902 852 D CB 0.552 41.350 40.800 -0.004 0.000 1.038 852 D HN 0.383 nan 8.370 nan 0.000 0.499 853 R N 1.096 121.593 120.500 -0.006 0.000 2.473 853 R HA 0.349 4.691 4.340 0.003 0.000 0.303 853 R C -1.640 174.655 176.300 -0.009 0.000 1.002 853 R CA -0.633 55.464 56.100 -0.006 0.000 0.884 853 R CB 0.845 31.143 30.300 -0.004 0.000 1.173 853 R HN -0.093 nan 8.270 nan 0.000 0.464 854 L N 3.980 125.195 121.223 -0.012 0.000 2.282 854 L HA 0.450 4.792 4.340 0.003 0.000 0.288 854 L C -1.145 175.712 176.870 -0.021 0.000 1.033 854 L CA -0.123 54.706 54.840 -0.018 0.000 0.807 854 L CB 1.404 43.450 42.059 -0.022 0.000 1.209 854 L HN 0.677 nan 8.230 nan 0.000 0.423 855 N N 3.890 122.576 118.700 -0.024 0.000 2.426 855 N HA 0.618 5.359 4.740 0.003 0.000 0.275 855 N C -1.390 174.092 175.510 -0.047 0.000 1.019 855 N CA -0.447 52.584 53.050 -0.032 0.000 0.941 855 N CB 2.165 40.637 38.487 -0.026 0.000 1.123 855 N HN 0.438 nan 8.380 nan 0.000 0.486 856 V N 1.763 121.635 119.914 -0.071 0.000 2.971 856 V HA 0.487 4.609 4.120 0.003 0.000 0.309 856 V C -0.869 175.140 176.094 -0.142 0.000 1.130 856 V CA -0.304 61.941 62.300 -0.091 0.000 0.964 856 V CB 2.457 34.229 31.823 -0.085 0.000 1.029 856 V HN 0.602 nan 8.190 nan 0.000 0.427 857 T N 4.738 119.211 114.554 -0.136 0.000 2.794 857 T HA 0.610 4.962 4.350 0.003 0.000 0.280 857 T C -0.705 173.866 174.700 -0.215 0.000 0.987 857 T CA -0.254 61.739 62.100 -0.179 0.000 0.993 857 T CB 1.415 70.221 68.868 -0.105 0.000 0.939 857 T HN 0.564 nan 8.240 nan 0.000 0.449 858 V N 2.961 122.667 119.914 -0.347 0.000 2.370 858 V HA 0.630 4.752 4.120 0.003 0.000 0.283 858 V C 0.832 176.830 176.094 -0.161 0.000 1.023 858 V CA -0.888 61.233 62.300 -0.299 0.000 0.857 858 V CB 1.452 32.969 31.823 -0.509 0.000 0.985 858 V HN 1.006 nan 8.190 nan 0.000 0.443 859 G N 3.823 112.568 108.800 -0.092 0.000 2.353 859 G HA2 0.594 4.556 3.960 0.003 0.000 0.284 859 G HA3 0.594 4.556 3.960 0.003 0.000 0.284 859 G C -0.719 174.144 174.900 -0.062 0.000 1.172 859 G CA -0.239 44.831 45.100 -0.050 0.000 0.854 859 G HN 0.625 nan 8.290 nan 0.000 0.485 860 V N 1.704 121.572 119.914 -0.077 0.000 3.040 860 V HA 0.725 4.847 4.120 0.003 0.000 0.312 860 V C -0.741 175.248 176.094 -0.174 0.000 1.115 860 V CA -0.931 61.259 62.300 -0.182 0.000 0.998 860 V CB 2.285 33.830 31.823 -0.463 0.000 1.042 860 V HN 0.746 nan 8.190 nan 0.000 0.433 861 D N -0.605 119.689 120.400 -0.176 0.000 2.768 861 D HA 0.702 5.344 4.640 0.003 0.000 0.327 861 D C -0.439 175.822 176.300 -0.066 0.000 1.302 861 D CA 0.835 54.782 54.000 -0.088 0.000 0.897 861 D CB 2.329 43.097 40.800 -0.053 0.000 1.420 861 D HN 1.276 nan 8.370 nan 0.000 0.494 862 G N -0.787 108.007 108.800 -0.010 0.000 2.697 862 G HA2 0.031 3.992 3.960 0.003 0.000 0.684 862 G HA3 0.031 3.992 3.960 0.003 0.000 0.684 862 G C 0.651 175.569 174.900 0.031 0.000 1.274 862 G CA 0.437 45.537 45.100 -0.001 0.000 0.806 862 G HN 0.538 nan 8.290 nan 0.000 0.644 863 T N 0.153 114.705 114.554 -0.004 0.000 2.821 863 T HA -0.046 4.305 4.350 0.003 0.000 0.267 863 T C 2.481 177.165 174.700 -0.027 0.000 1.046 863 T CA 1.938 64.031 62.100 -0.012 0.000 1.139 863 T CB -0.103 68.745 68.868 -0.033 0.000 0.871 863 T HN 1.171 nan 8.240 nan 0.000 0.454 864 L N 0.273 121.453 121.223 -0.071 0.000 1.976 864 L HA 0.009 4.351 4.340 0.003 0.000 0.209 864 L C 2.380 179.161 176.870 -0.148 0.000 1.071 864 L CA 1.722 56.477 54.840 -0.142 0.000 0.746 864 L CB -1.189 40.694 42.059 -0.293 0.000 0.890 864 L HN 0.298 nan 8.230 nan 0.000 0.432 865 Y N 0.619 120.748 120.300 -0.284 0.000 2.114 865 Y HA -0.310 4.242 4.550 0.003 0.000 0.282 865 Y C 2.363 178.253 175.900 -0.016 0.000 1.165 865 Y CA 2.392 60.404 58.100 -0.148 0.000 1.148 865 Y CB -0.101 38.327 38.460 -0.053 0.000 0.972 865 Y HN 0.222 nan 8.280 nan 0.000 0.504 866 K N -0.203 120.296 120.400 0.165 0.000 2.057 866 K HA -0.087 4.234 4.320 0.003 0.000 0.206 866 K C 1.996 178.592 176.600 -0.008 0.000 1.050 866 K CA 1.596 57.943 56.287 0.099 0.000 0.935 866 K CB -0.537 32.024 32.500 0.103 0.000 0.715 866 K HN 0.408 nan 8.250 nan 0.000 0.439 867 L N 0.135 121.342 121.223 -0.027 0.000 2.416 867 L HA 0.063 4.405 4.340 0.003 0.000 0.216 867 L C 1.446 178.261 176.870 -0.092 0.000 1.098 867 L CA -0.046 54.758 54.840 -0.061 0.000 0.840 867 L CB -0.230 41.787 42.059 -0.069 0.000 0.981 867 L HN 0.233 nan 8.230 nan 0.000 0.462 868 H N 2.809 121.800 119.070 -0.132 0.000 2.764 868 H HA 0.063 4.621 4.556 0.003 0.000 0.341 868 H C -1.531 173.692 175.328 -0.175 0.000 1.072 868 H CA -1.215 54.757 56.048 -0.126 0.000 1.444 868 H CB 1.800 31.518 29.762 -0.074 0.000 1.458 868 H HN -0.064 nan 8.280 nan 0.000 0.572 869 P HA -0.078 nan 4.420 nan 0.000 0.225 869 P C 0.552 177.610 177.300 -0.404 0.000 1.156 869 P CA 1.147 63.954 63.100 -0.488 0.000 0.787 869 P CB 0.708 31.929 31.700 -0.798 0.000 0.802 870 H N -2.626 116.581 119.070 0.229 0.000 2.695 870 H HA 0.155 4.712 4.556 0.003 0.000 0.267 870 H C 1.798 177.179 175.328 0.089 0.000 0.973 870 H CA -0.270 55.876 56.048 0.162 0.000 1.223 870 H CB -0.864 28.998 29.762 0.166 0.000 1.442 870 H HN -0.006 nan 8.280 nan 0.000 0.478 871 F N 3.204 123.211 119.950 0.095 0.000 2.045 871 F HA -0.346 4.183 4.527 0.003 0.000 0.297 871 F C 2.675 178.302 175.800 -0.287 0.000 1.114 871 F CA 2.435 60.323 58.000 -0.188 0.000 1.207 871 F CB -0.238 38.593 39.000 -0.282 0.000 0.964 871 F HN 0.167 nan 8.300 nan 0.000 0.486 872 S N 0.522 116.102 115.700 -0.200 0.000 2.382 872 S HA -0.273 4.199 4.470 0.003 0.000 0.228 872 S C 2.255 176.297 174.600 -0.930 0.000 1.027 872 S CA 1.176 58.979 58.200 -0.661 0.000 0.991 872 S CB -0.913 61.719 63.200 -0.947 0.000 0.823 872 S HN 0.615 nan 8.310 nan 0.000 0.469 873 R N 1.289 121.502 120.500 -0.479 0.000 2.081 873 R HA 0.002 4.344 4.340 0.003 0.000 0.235 873 R C 2.261 178.399 176.300 -0.270 0.000 1.131 873 R CA 1.729 57.645 56.100 -0.307 0.000 0.960 873 R CB -0.487 29.756 30.300 -0.095 0.000 0.856 873 R HN 0.532 nan 8.270 nan 0.000 0.436 874 I N 0.737 121.150 120.570 -0.262 0.000 2.252 874 I HA -0.271 3.901 4.170 0.003 0.000 0.245 874 I C 2.791 178.745 176.117 -0.272 0.000 1.102 874 I CA 0.894 62.057 61.300 -0.228 0.000 1.385 874 I CB -0.272 37.598 38.000 -0.217 0.000 1.064 874 I HN 0.314 nan 8.210 nan 0.000 0.414 875 M N 0.758 120.100 119.600 -0.429 0.000 2.065 875 M HA -0.259 4.223 4.480 0.003 0.000 0.259 875 M C 2.384 178.588 176.300 -0.160 0.000 1.069 875 M CA 2.246 57.338 55.300 -0.346 0.000 1.110 875 M CB -0.870 31.453 32.600 -0.462 0.000 1.328 875 M HN 0.329 nan 8.290 nan 0.000 0.405 876 H N -1.058 117.851 119.070 -0.268 0.000 2.352 876 H HA -0.204 4.354 4.556 0.003 0.000 0.299 876 H C 2.172 177.479 175.328 -0.036 0.000 1.097 876 H CA 1.603 57.534 56.048 -0.195 0.000 1.311 876 H CB -0.168 29.485 29.762 -0.182 0.000 1.377 876 H HN 0.545 nan 8.280 nan 0.000 0.504 877 Q N 0.430 120.256 119.800 0.043 0.000 2.096 877 Q HA -0.152 4.190 4.340 0.003 0.000 0.204 877 Q C 1.990 178.005 176.000 0.026 0.000 0.982 877 Q CA 2.036 57.857 55.803 0.030 0.000 0.850 877 Q CB 0.155 28.884 28.738 -0.014 0.000 0.901 877 Q HN 0.407 nan 8.270 nan 0.000 0.422 878 T N -0.223 114.329 114.554 -0.003 0.000 2.777 878 T HA -0.105 4.247 4.350 0.003 0.000 0.266 878 T C 1.836 176.565 174.700 0.049 0.000 1.040 878 T CA 1.275 63.376 62.100 0.002 0.000 1.141 878 T CB -0.226 68.622 68.868 -0.033 0.000 0.868 878 T HN 0.092 nan 8.240 nan 0.000 0.444 879 V N 1.659 121.633 119.914 0.100 0.000 2.332 879 V HA -0.196 3.926 4.120 0.003 0.000 0.248 879 V C 2.504 178.669 176.094 0.118 0.000 1.055 879 V CA 1.786 64.176 62.300 0.150 0.000 1.038 879 V CB -0.534 31.463 31.823 0.289 0.000 0.651 879 V HN 0.443 nan 8.190 nan 0.000 0.450 880 K N 0.361 120.831 120.400 0.117 0.000 2.147 880 K HA -0.228 4.094 4.320 0.003 0.000 0.205 880 K C 2.217 178.850 176.600 0.054 0.000 1.049 880 K CA 1.783 58.122 56.287 0.087 0.000 0.936 880 K CB -0.125 32.429 32.500 0.090 0.000 0.722 880 K HN 0.743 nan 8.250 nan 0.000 0.446 881 E N 0.503 120.729 120.200 0.043 0.000 2.122 881 E HA -0.145 4.207 4.350 0.003 0.000 0.190 881 E C 1.826 178.439 176.600 0.022 0.000 0.977 881 E CA 0.780 57.195 56.400 0.026 0.000 0.820 881 E CB -0.101 29.609 29.700 0.016 0.000 0.770 881 E HN 0.356 nan 8.360 nan 0.000 0.462 882 L N 0.518 121.757 121.223 0.027 0.000 2.354 882 L HA 0.143 4.485 4.340 0.003 0.000 0.212 882 L C 1.019 177.903 176.870 0.022 0.000 1.091 882 L CA 0.241 55.093 54.840 0.021 0.000 0.828 882 L CB 0.321 42.394 42.059 0.023 0.000 0.973 882 L HN -0.069 nan 8.230 nan 0.000 0.461 883 S N 0.580 116.300 115.700 0.033 0.000 2.143 883 S HA 0.239 4.710 4.470 0.003 0.000 0.188 883 S C -1.728 172.887 174.600 0.025 0.000 1.431 883 S CA -0.811 57.404 58.200 0.025 0.000 1.253 883 S CB 0.583 63.799 63.200 0.025 0.000 1.137 883 S HN 0.075 nan 8.310 nan 0.000 0.457 884 P HA -0.092 nan 4.420 nan 0.000 0.229 884 P C 0.400 177.708 177.300 0.014 0.000 1.150 884 P CA 0.905 64.017 63.100 0.019 0.000 0.765 884 P CB 0.022 31.732 31.700 0.016 0.000 0.783 885 K N -1.623 118.783 120.400 0.009 0.000 2.353 885 K HA 0.150 4.471 4.320 0.003 0.000 0.195 885 K C 0.356 176.957 176.600 0.001 0.000 1.031 885 K CA -0.025 56.264 56.287 0.004 0.000 1.079 885 K CB 0.209 32.709 32.500 -0.000 0.000 0.857 885 K HN 0.115 nan 8.250 nan 0.000 0.535 886 C N 1.969 121.271 119.300 0.004 0.000 2.330 886 C HA 0.255 4.717 4.460 0.003 0.000 0.344 886 C C 0.216 175.209 174.990 0.005 0.000 1.273 886 C CA -1.133 57.883 59.018 -0.003 0.000 1.879 886 C CB -0.183 27.553 27.740 -0.007 0.000 2.376 886 C HN 0.424 nan 8.230 nan 0.000 0.534 887 N N 2.093 120.791 118.700 -0.004 0.000 2.527 887 N HA 0.431 5.173 4.740 0.003 0.000 0.236 887 N C -1.113 174.385 175.510 -0.021 0.000 0.999 887 N CA -0.203 52.849 53.050 0.003 0.000 0.935 887 N CB 0.666 39.153 38.487 0.000 0.000 1.132 887 N HN 0.505 nan 8.380 nan 0.000 0.511 888 V N 2.309 122.214 119.914 -0.015 0.000 2.439 888 V HA 0.304 4.426 4.120 0.003 0.000 0.282 888 V C 0.202 176.222 176.094 -0.123 0.000 1.039 888 V CA -0.530 61.699 62.300 -0.119 0.000 0.913 888 V CB 1.406 33.145 31.823 -0.141 0.000 0.983 888 V HN 0.566 nan 8.190 nan 0.000 0.460 889 S N 4.155 119.728 115.700 -0.210 0.000 2.509 889 S HA 0.736 5.207 4.470 0.003 0.000 0.297 889 S C -0.840 173.565 174.600 -0.325 0.000 1.118 889 S CA -0.304 57.815 58.200 -0.135 0.000 1.074 889 S CB 0.965 64.122 63.200 -0.071 0.000 1.038 889 S HN 0.452 nan 8.310 nan 0.000 0.498 890 F N 2.410 122.284 119.950 -0.127 0.000 2.426 890 F HA 0.522 5.051 4.527 0.003 0.000 0.348 890 F C -0.339 175.454 175.800 -0.011 0.000 1.124 890 F CA -0.858 57.095 58.000 -0.078 0.000 1.008 890 F CB 1.272 40.190 39.000 -0.138 0.000 1.139 890 F HN 0.254 nan 8.300 nan 0.000 0.452 891 L N 5.658 126.944 121.223 0.104 0.000 2.319 891 L HA 0.529 4.871 4.340 0.003 0.000 0.281 891 L C -1.119 175.807 176.870 0.093 0.000 1.005 891 L CA -0.998 53.894 54.840 0.086 0.000 0.828 891 L CB 1.092 43.170 42.059 0.032 0.000 1.227 891 L HN 0.546 nan 8.230 nan 0.000 0.415 892 L N 4.826 126.127 121.223 0.131 0.000 2.410 892 L HA 0.379 4.721 4.340 0.003 0.000 0.273 892 L C 0.324 177.235 176.870 0.068 0.000 1.144 892 L CA 0.462 55.375 54.840 0.123 0.000 0.863 892 L CB 0.933 43.108 42.059 0.195 0.000 1.140 892 L HN 0.847 nan 8.230 nan 0.000 0.463 893 S N 2.822 118.541 115.700 0.033 0.000 2.465 893 S HA 0.299 4.771 4.470 0.003 0.000 0.279 893 S C 0.499 175.116 174.600 0.029 0.000 1.201 893 S CA -0.476 57.738 58.200 0.024 0.000 1.053 893 S CB 0.900 64.102 63.200 0.003 0.000 0.953 893 S HN 0.819 nan 8.310 nan 0.000 0.488 894 E N 1.569 121.787 120.200 0.030 0.000 2.400 894 E HA -0.013 4.339 4.350 0.003 0.000 0.195 894 E C 0.250 176.858 176.600 0.013 0.000 1.012 894 E CA 0.421 56.838 56.400 0.029 0.000 0.875 894 E CB 0.181 29.901 29.700 0.033 0.000 0.859 894 E HN 0.795 nan 8.360 nan 0.000 0.498 895 D N 0.370 120.771 120.400 0.002 0.000 2.340 895 D HA 0.129 4.771 4.640 0.003 0.000 0.217 895 D C 1.003 177.295 176.300 -0.014 0.000 1.081 895 D CA 0.446 54.439 54.000 -0.011 0.000 0.842 895 D CB 0.514 41.297 40.800 -0.028 0.000 0.934 895 D HN 0.143 nan 8.370 nan 0.000 0.511 896 G N 0.840 109.636 108.800 -0.008 0.000 2.782 896 G HA2 -0.269 3.692 3.960 0.003 0.000 0.228 896 G HA3 -0.269 3.692 3.960 0.003 0.000 0.228 896 G C 0.458 175.350 174.900 -0.014 0.000 1.372 896 G CA -0.122 44.972 45.100 -0.009 0.000 0.862 896 G HN 0.085 nan 8.290 nan 0.000 0.547 897 S N 0.380 116.074 115.700 -0.010 0.000 2.603 897 S HA 0.212 4.684 4.470 0.003 0.000 0.220 897 S C 2.256 176.852 174.600 -0.008 0.000 0.967 897 S CA 1.463 59.657 58.200 -0.010 0.000 0.920 897 S CB -0.241 62.960 63.200 0.002 0.000 0.773 897 S HN 1.391 nan 8.310 nan 0.000 0.529 898 G N 1.613 110.407 108.800 -0.011 0.000 2.396 898 G HA2 -0.141 3.821 3.960 0.003 0.000 0.214 898 G HA3 -0.141 3.821 3.960 0.003 0.000 0.214 898 G C 1.335 176.223 174.900 -0.021 0.000 1.166 898 G CA 0.408 45.506 45.100 -0.003 0.000 0.793 898 G HN 0.424 nan 8.290 nan 0.000 0.533 899 K N 0.347 120.714 120.400 -0.055 0.000 2.044 899 K HA -0.109 4.213 4.320 0.003 0.000 0.210 899 K C 2.580 179.130 176.600 -0.083 0.000 1.049 899 K CA 1.643 57.868 56.287 -0.103 0.000 0.927 899 K CB -0.596 31.803 32.500 -0.169 0.000 0.713 899 K HN 0.255 nan 8.250 nan 0.000 0.443 900 G N 0.185 108.953 108.800 -0.053 0.000 2.404 900 G HA2 -0.224 3.738 3.960 0.003 0.000 0.215 900 G HA3 -0.224 3.738 3.960 0.003 0.000 0.215 900 G C 1.580 176.454 174.900 -0.042 0.000 1.174 900 G CA 0.912 45.991 45.100 -0.036 0.000 0.780 900 G HN 0.444 nan 8.290 nan 0.000 0.537 901 A N 1.220 124.026 122.820 -0.024 0.000 1.940 901 A HA 0.214 4.535 4.320 0.003 0.000 0.219 901 A C 2.812 180.353 177.584 -0.071 0.000 1.176 901 A CA 2.327 54.356 52.037 -0.013 0.000 0.631 901 A CB -0.807 18.216 19.000 0.038 0.000 0.814 901 A HN 0.810 nan 8.150 nan 0.000 0.446 902 A N -0.158 122.613 122.820 -0.081 0.000 1.883 902 A HA -0.105 4.217 4.320 0.003 0.000 0.217 902 A C 2.167 179.521 177.584 -0.383 0.000 1.186 902 A CA 1.600 53.525 52.037 -0.187 0.000 0.624 902 A CB -0.669 18.326 19.000 -0.008 0.000 0.822 902 A HN 0.487 nan 8.150 nan 0.000 0.444 903 L N -0.832 120.266 121.223 -0.208 0.000 2.083 903 L HA -0.182 4.159 4.340 0.003 0.000 0.209 903 L C 2.459 179.228 176.870 -0.168 0.000 1.083 903 L CA 1.232 55.978 54.840 -0.156 0.000 0.752 903 L CB -0.419 41.620 42.059 -0.032 0.000 0.899 903 L HN 0.403 nan 8.230 nan 0.000 0.433 904 I N -1.053 119.432 120.570 -0.141 0.000 2.333 904 I HA -0.205 3.967 4.170 0.003 0.000 0.246 904 I C 2.443 178.476 176.117 -0.140 0.000 1.106 904 I CA 1.128 62.371 61.300 -0.096 0.000 1.411 904 I CB -0.359 37.612 38.000 -0.048 0.000 1.082 904 I HN 0.183 nan 8.210 nan 0.000 0.420 905 T N 1.075 115.499 114.554 -0.217 0.000 2.759 905 T HA -0.208 4.143 4.350 0.003 0.000 0.269 905 T C 2.012 176.504 174.700 -0.346 0.000 1.042 905 T CA 1.465 63.421 62.100 -0.239 0.000 1.140 905 T CB -0.349 68.357 68.868 -0.270 0.000 0.864 905 T HN 0.472 nan 8.240 nan 0.000 0.455 906 A N 0.761 123.206 122.820 -0.626 0.000 2.019 906 A HA -0.032 4.290 4.320 0.003 0.000 0.219 906 A C 2.532 180.068 177.584 -0.080 0.000 1.164 906 A CA 1.168 52.989 52.037 -0.360 0.000 0.644 906 A CB -0.785 18.024 19.000 -0.318 0.000 0.805 906 A HN 0.399 nan 8.150 nan 0.000 0.449 907 V N -0.361 119.503 119.914 -0.084 0.000 2.407 907 V HA -0.052 4.070 4.120 0.003 0.000 0.245 907 V C 2.518 178.614 176.094 0.003 0.000 1.041 907 V CA 1.246 63.534 62.300 -0.021 0.000 1.040 907 V CB -1.458 30.355 31.823 -0.016 0.000 0.671 907 V HN 0.600 nan 8.190 nan 0.000 0.455 908 G N 0.007 108.807 108.800 0.000 0.000 2.345 908 G HA2 -0.054 3.908 3.960 0.003 0.000 0.161 908 G HA3 -0.054 3.908 3.960 0.003 0.000 0.161 908 G C 1.369 176.294 174.900 0.042 0.000 1.656 908 G CA 1.591 46.705 45.100 0.022 0.000 0.940 908 G HN 0.206 nan 8.290 nan 0.000 0.374 909 V N 1.059 121.014 119.914 0.069 0.000 1.413 909 V HA -0.478 3.644 4.120 0.003 0.000 0.120 909 V C 2.776 178.912 176.094 0.070 0.000 1.117 909 V CA 3.816 66.174 62.300 0.096 0.000 2.647 909 V CB -1.195 30.732 31.823 0.173 0.000 0.775 909 V HN 0.818 nan 8.190 nan 0.000 0.416 910 R N 0.048 120.589 120.500 0.067 0.000 2.119 910 R HA -0.202 4.140 4.340 0.003 0.000 0.246 910 R C 2.091 178.412 176.300 0.036 0.000 1.146 910 R CA 2.662 58.792 56.100 0.051 0.000 0.962 910 R CB -0.271 30.056 30.300 0.046 0.000 0.863 910 R HN 0.686 nan 8.270 nan 0.000 0.442 911 L N 0.546 121.788 121.223 0.031 0.000 2.307 911 L HA 0.047 4.389 4.340 0.003 0.000 0.211 911 L C 2.639 179.519 176.870 0.017 0.000 1.099 911 L CA 0.345 55.198 54.840 0.022 0.000 0.816 911 L CB -0.444 41.627 42.059 0.020 0.000 0.952 911 L HN 0.198 nan 8.230 nan 0.000 0.455 912 R N 0.418 120.932 120.500 0.023 0.000 2.307 912 R HA -0.032 4.310 4.340 0.003 0.000 0.199 912 R C 1.045 177.358 176.300 0.022 0.000 1.000 912 R CA 1.122 57.233 56.100 0.019 0.000 1.023 912 R CB -0.492 29.823 30.300 0.024 0.000 0.908 912 R HN 0.139 nan 8.270 nan 0.000 0.473 913 T N 0.313 114.884 114.554 0.028 0.000 3.022 913 T HA 0.101 4.453 4.350 0.003 0.000 0.250 913 T C -0.190 174.523 174.700 0.021 0.000 1.060 913 T CA -0.075 62.041 62.100 0.027 0.000 1.013 913 T CB 0.323 69.213 68.868 0.036 0.000 0.982 913 T HN 0.367 nan 8.240 nan 0.000 0.508 914 E N 0.000 120.211 120.200 0.019 0.000 2.725 914 E HA 0.000 4.352 4.350 0.003 0.000 0.291 914 E CA 0.000 56.409 56.400 0.015 0.000 0.976 914 E CB 0.000 29.706 29.700 0.010 0.000 0.812 914 E HN 0.000 nan 8.360 nan 0.000 0.440