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 1hww_1_A DATA FIRST_RESID 31 DATA SEQUENCE cQDVVQDVPN VDVQMLELYD RMSFKDIDGG VWKQGWNIKY DPLKYNAHHK DATA SEQUENCE LKVFVVPHSH NDPGWIQTFE EYYQHDTKHI LSNALRHLHD NPEMKFIWAE DATA SEQUENCE ISYFARFYHD LGENKKLQMK SIVKNGQLEF VTGGWVMPDE ANSHWRNVLL DATA SEQUENCE QLTEGQTWLK QFMNVTPTAS WAIDPFGHSP TMPYILQKSG FKNMLIQRTH DATA SEQUENCE YSVKKELAQQ RQLEFLWRQI WDNKGDTALF THMMPFYSYD IPHTcGPDPK DATA SEQUENCE VccQFDFKRM GSFGLScPWK VPPRTISDQN VAARSDLLVD QWKKKAELYR DATA SEQUENCE TNVLLIPLGD DFRFKQNTEW DVQRVNYERL FEHINSQAHF NVQAQFGTLQ DATA SEQUENCE EYFDAVHQAE RAGQAEFPTL SGDFFTYADR SDNYWSGYYT SRPYHKRMDR DATA SEQUENCE VLMHYVRAAE MLSAWHSWDG MARIEERLEQ ARRELSLFQH HDGITGTAKT DATA SEQUENCE HVVVDYEQRM QEALKACQMV MQQSVYRLLT KPSIYSPDFS FSYFTLDDSR DATA SEQUENCE WPGSGVEDSR TTIILGEDIL PSKHVVMHNT LPHWREQLVD FYVSSPFVSV DATA SEQUENCE TDLANNPVEA QVSPVWSWHH DTLTKTIHPQ GSTTKYRIIF KARVPPMGLA DATA SEQUENCE TYVLTISDSK PEHTSYASNL LLRKNPTSLP LGQYPEDVKF GDPREISLRV DATA SEQUENCE GNGPTLAFSE QGLLKSIQLT QDSPHVPVHF KFLKYGVRSH GDRSGAYLFL DATA SEQUENCE PNGPASPVEL GQPVVLVTKG KLESSVSVGL PSVVHQTIMR GGAPEIRNLV DATA SEQUENCE DIGSLDNTEI VMRLETHIDS GDIFYTDLNG LQFIKRRRLD KLPLQANYYP DATA SEQUENCE IPSGMFIEDA NTRLTLLTGQ PLGGSSLASG ELEIMQDRRL ASDDERGLGQ DATA SEQUENCE GVLDNKPVLH IYRLVLEKVN NcVRPSKLHP AGYLTSAAHK ASQSLLDPLD DATA SEQUENCE KFIFAENEWI GAQGQFGGDH PSAREDLDVS VMRRLTKSSA KTQRVGYVLH DATA SEQUENCE RTNLMQcGTP EEHTQKLDVc HLLPNVARcE RTTLTFLQNL EHLDGMVAPE DATA SEQUENCE VcPMETAAYV SSHS 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 31 c HA 0.000 nan 4.570 nan 0.000 0.325 31 c C 0.000 174.104 174.090 0.023 0.000 1.270 31 c CA 0.000 56.337 56.329 0.014 0.000 1.963 31 c CB 0.000 42.505 42.510 -0.009 0.000 2.134 32 Q N 1.319 121.149 119.800 0.049 0.000 2.373 32 Q HA 0.183 4.522 4.340 -0.001 0.000 0.255 32 Q C -0.278 175.754 176.000 0.053 0.000 0.980 32 Q CA 0.252 56.098 55.803 0.072 0.000 0.882 32 Q CB 0.837 29.653 28.738 0.130 0.000 1.249 32 Q HN 0.653 nan 8.270 nan 0.000 0.438 33 D N 1.557 121.990 120.400 0.055 0.000 2.316 33 D HA 0.064 4.703 4.640 -0.001 0.000 0.245 33 D C 0.453 176.801 176.300 0.080 0.000 1.171 33 D CA -0.253 53.761 54.000 0.024 0.000 0.856 33 D CB 1.268 42.082 40.800 0.022 0.000 1.090 33 D HN 0.375 nan 8.370 nan 0.000 0.476 34 V N 2.217 122.135 119.914 0.008 0.000 3.633 34 V HA 0.085 4.205 4.120 -0.001 0.000 0.283 34 V C 1.052 177.192 176.094 0.077 0.000 1.305 34 V CA 0.159 62.526 62.300 0.111 0.000 1.153 34 V CB 0.082 31.816 31.823 -0.148 0.000 0.950 34 V HN 0.388 nan 8.190 nan 0.000 0.432 35 V N 0.013 119.892 119.914 -0.058 0.000 2.911 35 V HA 0.075 4.194 4.120 -0.001 0.000 0.237 35 V C 2.288 178.370 176.094 -0.020 0.000 1.156 35 V CA 1.175 63.395 62.300 -0.133 0.000 1.180 35 V CB -0.038 31.650 31.823 -0.224 0.000 0.932 35 V HN 0.484 nan 8.190 nan 0.000 0.483 36 Q N 0.069 119.895 119.800 0.044 0.000 2.392 36 Q HA 0.110 4.449 4.340 -0.001 0.000 0.203 36 Q C -0.464 175.620 176.000 0.140 0.000 0.917 36 Q CA 0.394 56.246 55.803 0.082 0.000 0.939 36 Q CB 0.408 29.167 28.738 0.034 0.000 1.063 36 Q HN 0.512 nan 8.270 nan 0.000 0.516 37 D N 1.345 121.859 120.400 0.189 0.000 2.460 37 D HA 0.166 4.805 4.640 -0.001 0.000 0.232 37 D C -0.716 175.690 176.300 0.176 0.000 1.079 37 D CA -0.271 53.823 54.000 0.157 0.000 0.864 37 D CB 2.055 42.925 40.800 0.116 0.000 1.048 37 D HN -0.156 nan 8.370 nan 0.000 0.523 38 V N 4.488 124.476 119.914 0.124 0.000 2.421 38 V HA 0.085 4.204 4.120 -0.001 0.000 0.271 38 V C -1.803 174.268 176.094 -0.038 0.000 1.031 38 V CA -1.034 61.261 62.300 -0.009 0.000 1.032 38 V CB 0.070 31.898 31.823 0.007 0.000 1.009 38 V HN 0.291 nan 8.190 nan 0.000 0.477 39 P HA 0.044 nan 4.420 nan 0.000 0.266 39 P C -0.361 176.910 177.300 -0.048 0.000 1.195 39 P CA 0.005 63.073 63.100 -0.054 0.000 0.768 39 P CB 0.318 31.967 31.700 -0.085 0.000 0.838 40 N N 2.637 121.324 118.700 -0.022 0.000 2.485 40 N HA 0.350 5.089 4.740 -0.001 0.000 0.243 40 N C -1.061 174.440 175.510 -0.014 0.000 0.987 40 N CA -0.504 52.536 53.050 -0.016 0.000 0.940 40 N CB 0.169 38.655 38.487 -0.002 0.000 1.122 40 N HN 0.112 nan 8.380 nan 0.000 0.509 41 V N 0.430 120.328 119.914 -0.027 0.000 2.960 41 V HA 0.541 4.661 4.120 -0.001 0.000 0.315 41 V C 0.561 176.640 176.094 -0.025 0.000 1.087 41 V CA -0.724 61.563 62.300 -0.022 0.000 0.982 41 V CB 2.054 33.853 31.823 -0.040 0.000 1.039 41 V HN 0.395 nan 8.190 nan 0.000 0.437 42 D N 1.023 121.415 120.400 -0.013 0.000 2.144 42 D HA 0.020 4.659 4.640 -0.001 0.000 0.200 42 D C 0.489 176.760 176.300 -0.049 0.000 0.978 42 D CA 1.607 55.597 54.000 -0.016 0.000 0.833 42 D CB 0.466 41.273 40.800 0.012 0.000 0.961 42 D HN 0.433 nan 8.370 nan 0.000 0.470 43 V N 1.391 121.254 119.914 -0.085 0.000 2.525 43 V HA 0.222 4.341 4.120 -0.001 0.000 0.299 43 V C -0.405 175.592 176.094 -0.163 0.000 1.034 43 V CA -0.759 61.459 62.300 -0.135 0.000 0.863 43 V CB 2.453 34.151 31.823 -0.208 0.000 0.999 43 V HN -0.095 nan 8.190 nan 0.000 0.423 44 Q N 4.631 124.347 119.800 -0.139 0.000 2.339 44 Q HA 0.421 4.760 4.340 -0.001 0.000 0.268 44 Q C 0.515 176.420 176.000 -0.160 0.000 1.027 44 Q CA -0.713 55.001 55.803 -0.149 0.000 0.759 44 Q CB 1.833 30.505 28.738 -0.110 0.000 1.244 44 Q HN 0.688 nan 8.270 nan 0.000 0.464 45 M N 2.855 122.313 119.600 -0.238 0.000 2.144 45 M HA -0.210 4.269 4.480 -0.001 0.000 0.260 45 M C 1.591 177.792 176.300 -0.165 0.000 1.067 45 M CA 1.208 56.357 55.300 -0.253 0.000 1.095 45 M CB -0.928 31.388 32.600 -0.474 0.000 1.365 45 M HN 0.571 nan 8.290 nan 0.000 0.406 46 L N 0.428 121.548 121.223 -0.172 0.000 2.056 46 L HA -0.107 4.233 4.340 -0.001 0.000 0.207 46 L C 2.471 179.335 176.870 -0.011 0.000 1.078 46 L CA 1.784 56.553 54.840 -0.119 0.000 0.749 46 L CB -0.679 41.284 42.059 -0.160 0.000 0.901 46 L HN 0.270 nan 8.230 nan 0.000 0.433 47 E N -0.308 119.872 120.200 -0.033 0.000 2.072 47 E HA -0.235 4.115 4.350 -0.001 0.000 0.191 47 E C 2.201 178.816 176.600 0.025 0.000 0.985 47 E CA 1.522 57.916 56.400 -0.009 0.000 0.801 47 E CB -0.328 29.352 29.700 -0.034 0.000 0.750 47 E HN 0.438 nan 8.360 nan 0.000 0.452 48 L N 0.494 121.732 121.223 0.024 0.000 2.042 48 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 48 L C 2.300 179.244 176.870 0.123 0.000 1.076 48 L CA 1.702 56.566 54.840 0.039 0.000 0.749 48 L CB -0.990 41.080 42.059 0.020 0.000 0.893 48 L HN 0.126 nan 8.230 nan 0.000 0.432 49 Y N -0.037 120.271 120.300 0.015 0.000 2.224 49 Y HA -0.248 4.302 4.550 -0.001 0.000 0.289 49 Y C 2.540 178.536 175.900 0.159 0.000 1.146 49 Y CA 1.727 59.921 58.100 0.156 0.000 1.182 49 Y CB -0.592 37.955 38.460 0.146 0.000 0.983 49 Y HN 0.367 nan 8.280 nan 0.000 0.524 50 D N -0.500 120.015 120.400 0.192 0.000 2.144 50 D HA -0.125 4.514 4.640 -0.001 0.000 0.199 50 D C 2.051 178.395 176.300 0.072 0.000 0.984 50 D CA 1.273 55.337 54.000 0.108 0.000 0.834 50 D CB 0.051 40.887 40.800 0.060 0.000 0.955 50 D HN 0.249 nan 8.370 nan 0.000 0.465 51 R N -0.978 119.548 120.500 0.043 0.000 2.127 51 R HA 0.167 4.507 4.340 -0.001 0.000 0.217 51 R C 0.882 177.165 176.300 -0.028 0.000 1.074 51 R CA 0.026 56.128 56.100 0.002 0.000 0.991 51 R CB 0.035 30.323 30.300 -0.020 0.000 0.895 51 R HN 0.226 nan 8.270 nan 0.000 0.450 52 M N 0.380 119.935 119.600 -0.074 0.000 2.252 52 M HA -0.039 4.441 4.480 -0.001 0.000 0.333 52 M C 0.937 177.199 176.300 -0.064 0.000 1.111 52 M CA 0.537 55.697 55.300 -0.234 0.000 1.140 52 M CB 1.150 33.327 32.600 -0.705 0.000 1.538 52 M HN -0.044 nan 8.290 nan 0.000 0.448 53 S N 0.964 116.602 115.700 -0.103 0.000 2.503 53 S HA 0.173 4.642 4.470 -0.001 0.000 0.215 53 S C 0.178 174.891 174.600 0.188 0.000 1.003 53 S CA -0.210 58.024 58.200 0.058 0.000 0.910 53 S CB -0.021 63.182 63.200 0.005 0.000 0.790 53 S HN 0.719 nan 8.310 nan 0.000 0.514 54 F N 1.429 121.308 119.950 -0.118 0.000 3.100 54 F HA -0.193 4.333 4.527 -0.001 0.000 0.283 54 F C 0.214 176.029 175.800 0.024 0.000 0.900 54 F CA 0.214 58.151 58.000 -0.105 0.000 1.010 54 F CB -1.551 37.358 39.000 -0.151 0.000 1.029 54 F HN -0.009 nan 8.300 nan 0.000 0.637 55 K N 1.119 121.599 120.400 0.132 0.000 2.368 55 K HA 0.147 4.466 4.320 -0.001 0.000 0.282 55 K C 0.277 176.988 176.600 0.184 0.000 1.035 55 K CA -0.152 56.216 56.287 0.136 0.000 0.973 55 K CB 0.644 33.184 32.500 0.067 0.000 0.957 55 K HN 0.091 nan 8.250 nan 0.000 0.474 56 D N 3.895 124.418 120.400 0.205 0.000 2.564 56 D HA 0.143 4.783 4.640 -0.001 0.000 0.226 56 D C -0.083 176.257 176.300 0.066 0.000 1.149 56 D CA -0.476 53.643 54.000 0.198 0.000 0.994 56 D CB -0.539 40.385 40.800 0.207 0.000 1.029 56 D HN 0.483 nan 8.370 nan 0.000 0.517 57 I N -1.511 119.086 120.570 0.044 0.000 2.566 57 I HA 0.491 4.661 4.170 -0.001 0.000 0.303 57 I C 0.079 176.180 176.117 -0.026 0.000 0.983 57 I CA -0.973 60.331 61.300 0.007 0.000 1.235 57 I CB 1.415 39.420 38.000 0.008 0.000 1.386 57 I HN -0.128 nan 8.210 nan 0.000 0.494 58 D N 3.921 124.305 120.400 -0.026 0.000 2.346 58 D HA 0.186 4.826 4.640 -0.001 0.000 0.260 58 D C 0.936 177.218 176.300 -0.029 0.000 1.252 58 D CA 0.021 54.000 54.000 -0.035 0.000 0.895 58 D CB 1.426 42.214 40.800 -0.020 0.000 1.097 58 D HN 0.815 nan 8.370 nan 0.000 0.489 59 G N 2.411 111.176 108.800 -0.059 0.000 3.088 59 G HA2 0.441 4.400 3.960 -0.001 0.000 0.212 59 G HA3 0.441 4.400 3.960 -0.001 0.000 0.212 59 G C 0.884 175.784 174.900 0.001 0.000 1.173 59 G CA 0.345 45.416 45.100 -0.047 0.000 0.779 59 G HN 0.917 nan 8.290 nan 0.000 0.540 60 G N -0.572 108.232 108.800 0.006 0.000 2.464 60 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.216 60 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.216 60 G C 1.198 176.117 174.900 0.031 0.000 1.186 60 G CA 0.670 45.786 45.100 0.027 0.000 1.010 60 G HN 1.086 nan 8.290 nan 0.000 0.585 61 V N -3.606 116.325 119.914 0.028 0.000 2.392 61 V HA 0.029 4.148 4.120 -0.001 0.000 0.249 61 V C 1.508 177.623 176.094 0.036 0.000 1.059 61 V CA 2.518 64.815 62.300 -0.005 0.000 1.051 61 V CB -0.597 31.190 31.823 -0.060 0.000 0.658 61 V HN 1.471 nan 8.190 nan 0.000 0.455 62 W N 2.630 123.833 121.300 -0.162 0.000 2.226 62 W HA 0.454 5.113 4.660 -0.001 0.000 0.379 62 W C 1.141 177.610 176.519 -0.082 0.000 0.923 62 W CA -1.926 55.307 57.345 -0.186 0.000 1.524 62 W CB 0.025 29.339 29.460 -0.243 0.000 1.552 62 W HN 0.044 nan 8.180 nan 0.000 0.337 63 K N 2.315 122.783 120.400 0.114 0.000 2.127 63 K HA -0.235 4.085 4.320 -0.001 0.000 0.208 63 K C 0.893 177.404 176.600 -0.148 0.000 1.047 63 K CA 1.706 57.977 56.287 -0.027 0.000 0.927 63 K CB -0.022 32.459 32.500 -0.031 0.000 0.716 63 K HN 0.583 nan 8.250 nan 0.000 0.450 64 Q N -0.937 118.731 119.800 -0.220 0.000 2.172 64 Q HA 0.188 4.527 4.340 -0.001 0.000 0.217 64 Q C 0.865 176.492 176.000 -0.621 0.000 0.832 64 Q CA -0.211 55.438 55.803 -0.257 0.000 1.010 64 Q CB 1.276 30.001 28.738 -0.021 0.000 1.133 64 Q HN 0.260 nan 8.270 nan 0.000 0.489 65 G N 0.657 108.654 108.800 -1.337 0.000 3.364 65 G HA2 0.521 4.480 3.960 -0.001 0.000 0.191 65 G HA3 0.521 4.480 3.960 -0.001 0.000 0.191 65 G C -1.439 173.126 174.900 -0.558 0.000 1.352 65 G CA -0.227 43.784 45.100 -1.814 0.000 0.758 65 G HN 0.354 nan 8.290 nan 0.000 0.730 66 W N -1.308 119.692 121.300 -0.500 0.000 2.959 66 W HA 0.614 5.274 4.660 -0.001 0.000 0.358 66 W C -1.531 175.080 176.519 0.152 0.000 1.228 66 W CA -1.147 56.142 57.345 -0.093 0.000 1.183 66 W CB 0.588 30.008 29.460 -0.066 0.000 1.467 66 W HN 0.194 nan 8.180 nan 0.000 0.578 67 N N 2.235 121.107 118.700 0.286 0.000 2.402 67 N HA 0.210 4.949 4.740 -0.001 0.000 0.259 67 N C -0.235 175.430 175.510 0.259 0.000 1.167 67 N CA 0.061 53.227 53.050 0.193 0.000 0.949 67 N CB 0.350 38.944 38.487 0.178 0.000 1.212 67 N HN 0.405 nan 8.380 nan 0.000 0.493 68 I N 2.140 122.751 120.570 0.070 0.000 2.618 68 I HA -0.003 4.166 4.170 -0.001 0.000 0.284 68 I C 0.807 177.091 176.117 0.278 0.000 1.146 68 I CA 0.407 61.824 61.300 0.194 0.000 1.425 68 I CB 0.420 38.472 38.000 0.087 0.000 1.383 68 I HN 0.122 nan 8.210 nan 0.000 0.562 69 K N 6.276 126.877 120.400 0.334 0.000 2.318 69 K HA 0.610 4.930 4.320 -0.001 0.000 0.249 69 K C -1.376 175.393 176.600 0.282 0.000 0.942 69 K CA -0.752 55.662 56.287 0.211 0.000 0.808 69 K CB 2.434 35.020 32.500 0.144 0.000 1.189 69 K HN 0.500 nan 8.250 nan 0.000 0.428 70 Y N -1.864 118.528 120.300 0.153 0.000 2.562 70 Y HA 0.404 4.954 4.550 -0.001 0.000 0.345 70 Y C -1.229 174.747 175.900 0.126 0.000 1.045 70 Y CA -1.552 56.639 58.100 0.153 0.000 1.028 70 Y CB 1.226 39.797 38.460 0.186 0.000 1.297 70 Y HN 0.429 nan 8.280 nan 0.000 0.463 71 D N 4.611 125.164 120.400 0.256 0.000 2.339 71 D HA 0.288 4.927 4.640 -0.001 0.000 0.241 71 D C -1.554 174.915 176.300 0.282 0.000 1.183 71 D CA -2.718 51.374 54.000 0.153 0.000 0.859 71 D CB 1.431 42.293 40.800 0.102 0.000 1.067 71 D HN 0.432 nan 8.370 nan 0.000 0.484 72 P HA -0.162 nan 4.420 nan 0.000 0.218 72 P C 1.364 178.819 177.300 0.258 0.000 1.146 72 P CA 0.823 64.127 63.100 0.340 0.000 0.813 72 P CB 0.330 32.158 31.700 0.214 0.000 0.778 73 L N -0.715 120.604 121.223 0.160 0.000 2.610 73 L HA 0.049 4.388 4.340 -0.001 0.000 0.232 73 L C 2.718 179.633 176.870 0.076 0.000 1.149 73 L CA 0.470 55.378 54.840 0.113 0.000 0.872 73 L CB -0.671 41.429 42.059 0.069 0.000 0.992 73 L HN -0.015 nan 8.230 nan 0.000 0.447 74 K N 0.494 120.927 120.400 0.055 0.000 2.063 74 K HA -0.149 4.170 4.320 -0.001 0.000 0.208 74 K C -0.065 176.394 176.600 -0.234 0.000 1.048 74 K CA 1.222 57.423 56.287 -0.143 0.000 0.928 74 K CB 0.070 32.430 32.500 -0.233 0.000 0.713 74 K HN 0.113 nan 8.250 nan 0.000 0.442 75 Y N 0.880 121.302 120.300 0.204 0.000 2.387 75 Y HA 0.259 4.809 4.550 -0.000 0.000 0.336 75 Y C 0.308 176.296 175.900 0.146 0.000 1.067 75 Y CA -0.982 57.248 58.100 0.217 0.000 1.114 75 Y CB 1.337 39.881 38.460 0.140 0.000 1.208 75 Y HN 0.213 nan 8.280 nan 0.000 0.458 76 N N 0.228 119.091 118.700 0.272 0.000 3.277 76 N HA 0.300 5.040 4.740 -0.001 0.000 0.278 76 N C 0.136 175.678 175.510 0.053 0.000 1.544 76 N CA -0.235 52.895 53.050 0.133 0.000 0.869 76 N CB 0.973 39.519 38.487 0.098 0.000 1.584 76 N HN 0.608 nan 8.380 nan 0.000 0.564 77 A N -0.211 122.552 122.820 -0.094 0.000 1.986 77 A HA -0.210 4.109 4.320 -0.001 0.000 0.220 77 A C 1.227 178.688 177.584 -0.206 0.000 1.171 77 A CA 1.516 53.428 52.037 -0.210 0.000 0.640 77 A CB -1.117 17.664 19.000 -0.365 0.000 0.811 77 A HN 0.694 nan 8.150 nan 0.000 0.451 78 H N -2.646 116.478 119.070 0.090 0.000 2.553 78 H HA 0.111 4.667 4.556 -0.001 0.000 0.265 78 H C 0.076 175.502 175.328 0.163 0.000 0.964 78 H CA 0.786 56.891 56.048 0.096 0.000 1.156 78 H CB 0.156 29.965 29.762 0.078 0.000 1.411 78 H HN 0.681 nan 8.280 nan 0.000 0.558 79 H N 0.813 119.968 119.070 0.141 0.000 2.852 79 H HA 0.240 4.796 4.556 -0.000 0.000 0.274 79 H C -0.754 174.709 175.328 0.224 0.000 1.321 79 H CA -0.275 55.862 56.048 0.149 0.000 1.582 79 H CB 0.612 30.441 29.762 0.112 0.000 1.699 79 H HN 0.103 nan 8.280 nan 0.000 0.546 80 K N 2.472 122.847 120.400 -0.042 0.000 2.087 80 K HA 0.238 4.557 4.320 -0.001 0.000 0.255 80 K C -0.362 176.117 176.600 -0.201 0.000 0.988 80 K CA -1.147 55.108 56.287 -0.054 0.000 0.915 80 K CB 2.016 34.460 32.500 -0.093 0.000 1.043 80 K HN 0.159 nan 8.250 nan 0.000 0.457 81 L N 2.355 123.345 121.223 -0.389 0.000 2.260 81 L HA 0.175 4.515 4.340 -0.001 0.000 0.289 81 L C -0.862 175.759 176.870 -0.415 0.000 1.057 81 L CA 0.159 54.652 54.840 -0.578 0.000 0.811 81 L CB 0.252 41.726 42.059 -0.975 0.000 1.184 81 L HN 0.374 nan 8.230 nan 0.000 0.429 82 K N 4.628 124.811 120.400 -0.362 0.000 2.262 82 K HA 0.473 4.792 4.320 -0.001 0.000 0.282 82 K C -1.051 175.210 176.600 -0.564 0.000 1.066 82 K CA -0.509 55.506 56.287 -0.452 0.000 0.901 82 K CB 1.327 33.609 32.500 -0.363 0.000 1.089 82 K HN 0.409 nan 8.250 nan 0.000 0.476 83 V N 4.834 124.300 119.914 -0.747 0.000 2.398 83 V HA 0.372 4.491 4.120 -0.001 0.000 0.286 83 V C -0.705 174.850 176.094 -0.900 0.000 1.026 83 V CA -0.752 61.051 62.300 -0.828 0.000 0.868 83 V CB 0.623 31.758 31.823 -1.147 0.000 0.982 83 V HN 0.556 nan 8.190 nan 0.000 0.443 84 F N 3.439 123.125 119.950 -0.440 0.000 2.375 84 F HA 0.495 5.021 4.527 -0.001 0.000 0.361 84 F C 0.102 175.719 175.800 -0.304 0.000 1.117 84 F CA -0.774 57.029 58.000 -0.328 0.000 1.037 84 F CB 1.855 40.733 39.000 -0.204 0.000 1.192 84 F HN 0.191 nan 8.300 nan 0.000 0.452 85 V N 5.222 125.109 119.914 -0.045 0.000 2.368 85 V HA 0.239 4.359 4.120 -0.001 0.000 0.266 85 V C -0.189 176.003 176.094 0.163 0.000 1.045 85 V CA -0.630 61.709 62.300 0.065 0.000 0.899 85 V CB 1.129 33.083 31.823 0.218 0.000 1.006 85 V HN 0.427 nan 8.190 nan 0.000 0.470 86 V N 8.362 128.318 119.914 0.069 0.000 2.294 86 V HA 0.301 4.420 4.120 -0.001 0.000 0.272 86 V C -2.321 173.805 176.094 0.054 0.000 1.027 86 V CA -2.000 60.309 62.300 0.015 0.000 0.823 86 V CB 1.237 32.980 31.823 -0.133 0.000 1.030 86 V HN 0.707 nan 8.190 nan 0.000 0.457 87 P HA 0.307 nan 4.420 nan 0.000 0.271 87 P C -0.809 176.476 177.300 -0.026 0.000 1.216 87 P CA 0.299 63.371 63.100 -0.045 0.000 0.771 87 P CB 0.327 31.849 31.700 -0.297 0.000 0.864 88 H N -1.001 118.070 119.070 0.002 0.000 2.990 88 H HA 0.794 5.350 4.556 -0.001 0.000 0.336 88 H C -1.456 173.979 175.328 0.178 0.000 1.306 88 H CA -1.137 54.802 56.048 -0.182 0.000 1.118 88 H CB 0.990 30.581 29.762 -0.284 0.000 1.856 88 H HN 0.179 nan 8.280 nan 0.000 0.538 89 S N 0.643 116.390 115.700 0.078 0.000 2.776 89 S HA 0.196 4.666 4.470 -0.001 0.000 0.284 89 S C -1.825 172.716 174.600 -0.098 0.000 1.160 89 S CA -0.654 57.633 58.200 0.145 0.000 1.051 89 S CB 0.091 63.560 63.200 0.447 0.000 1.037 89 S HN 0.821 nan 8.310 nan 0.000 0.485 90 H N 4.235 123.218 119.070 -0.146 0.000 2.934 90 H HA 0.471 5.027 4.556 -0.001 0.000 0.273 90 H C -0.600 174.320 175.328 -0.681 0.000 1.121 90 H CA 0.207 56.065 56.048 -0.318 0.000 1.451 90 H CB 0.055 29.673 29.762 -0.239 0.000 1.469 90 H HN 0.495 nan 8.280 nan 0.000 0.476 91 N N 4.535 122.587 118.700 -1.080 0.000 2.476 91 N HA 0.140 4.879 4.740 -0.001 0.000 0.257 91 N C -1.271 173.771 175.510 -0.780 0.000 0.970 91 N CA -0.661 51.582 53.050 -1.344 0.000 0.938 91 N CB 1.074 39.049 38.487 -0.852 0.000 1.144 91 N HN 0.536 nan 8.380 nan 0.000 0.500 92 D N 2.550 122.557 120.400 -0.655 0.000 2.317 92 D HA 0.131 4.771 4.640 -0.001 0.000 0.252 92 D C -2.089 174.243 176.300 0.053 0.000 1.174 92 D CA -1.097 52.752 54.000 -0.251 0.000 0.866 92 D CB 1.449 42.326 40.800 0.130 0.000 1.127 92 D HN 0.234 nan 8.370 nan 0.000 0.467 93 P HA 0.177 nan 4.420 nan 0.000 0.231 93 P C -0.053 177.430 177.300 0.305 0.000 1.756 93 P CA 0.117 63.210 63.100 -0.012 0.000 0.990 93 P CB 0.158 31.717 31.700 -0.235 0.000 1.973 94 G N 0.055 109.208 108.800 0.588 0.000 2.906 94 G HA2 0.033 3.993 3.960 -0.001 0.000 0.686 94 G HA3 0.033 3.993 3.960 -0.001 0.000 0.686 94 G C -1.136 174.300 174.900 0.893 0.000 1.170 94 G CA -0.680 44.828 45.100 0.681 0.000 0.775 94 G HN 0.322 nan 8.290 nan 0.000 0.630 95 W N 1.734 123.376 121.300 0.571 0.000 4.511 95 W HA 0.197 4.857 4.660 -0.001 0.000 0.159 95 W C 1.666 178.363 176.519 0.297 0.000 3.471 95 W CA 1.282 58.924 57.345 0.495 0.000 1.173 95 W CB -0.862 28.967 29.460 0.615 0.000 2.090 95 W HN 0.954 nan 8.180 nan 0.000 0.393 96 I N 0.687 121.301 120.570 0.074 0.000 3.860 96 I HA 0.349 4.519 4.170 -0.001 0.000 0.319 96 I C 0.196 176.212 176.117 -0.169 0.000 1.279 96 I CA 0.467 61.612 61.300 -0.259 0.000 1.220 96 I CB 0.120 37.858 38.000 -0.438 0.000 1.027 96 I HN -0.028 nan 8.210 nan 0.000 0.428 97 Q N 1.439 121.022 119.800 -0.362 0.000 2.495 97 Q HA 0.384 4.723 4.340 -0.001 0.000 0.287 97 Q C -0.413 175.345 176.000 -0.402 0.000 1.078 97 Q CA -0.775 54.710 55.803 -0.530 0.000 0.793 97 Q CB 2.516 30.560 28.738 -1.157 0.000 1.459 97 Q HN 0.345 nan 8.270 nan 0.000 0.422 98 T N -2.145 112.267 114.554 -0.237 0.000 2.788 98 T HA 0.172 4.521 4.350 -0.001 0.000 0.287 98 T C 0.812 175.591 174.700 0.132 0.000 1.007 98 T CA -0.467 61.577 62.100 -0.094 0.000 1.005 98 T CB 0.326 69.164 68.868 -0.050 0.000 1.012 98 T HN 0.567 nan 8.240 nan 0.000 0.530 99 F N 1.173 121.183 119.950 0.101 0.000 2.065 99 F HA -0.114 4.412 4.527 -0.001 0.000 0.298 99 F C 2.479 178.459 175.800 0.299 0.000 1.112 99 F CA 2.316 60.450 58.000 0.223 0.000 1.212 99 F CB -0.414 38.611 39.000 0.041 0.000 0.975 99 F HN 0.759 nan 8.300 nan 0.000 0.476 100 E N 0.511 120.906 120.200 0.326 0.000 2.110 100 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 100 E C 2.029 178.671 176.600 0.070 0.000 0.988 100 E CA 1.834 58.370 56.400 0.226 0.000 0.804 100 E CB -0.317 29.522 29.700 0.233 0.000 0.745 100 E HN 0.634 nan 8.360 nan 0.000 0.458 101 E N -1.062 119.096 120.200 -0.069 0.000 2.051 101 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 101 E C 1.910 178.193 176.600 -0.528 0.000 0.991 101 E CA 1.151 57.295 56.400 -0.426 0.000 0.799 101 E CB -0.271 29.197 29.700 -0.388 0.000 0.748 101 E HN 0.354 nan 8.360 nan 0.000 0.449 102 Y N -0.385 119.797 120.300 -0.198 0.000 2.181 102 Y HA -0.251 4.299 4.550 -0.001 0.000 0.288 102 Y C 2.232 178.063 175.900 -0.116 0.000 1.146 102 Y CA 1.213 59.213 58.100 -0.167 0.000 1.164 102 Y CB -0.739 37.740 38.460 0.030 0.000 0.982 102 Y HN 0.171 nan 8.280 nan 0.000 0.515 103 Y N 0.902 121.212 120.300 0.018 0.000 2.128 103 Y HA -0.291 4.258 4.550 -0.001 0.000 0.284 103 Y C 2.307 178.198 175.900 -0.014 0.000 1.154 103 Y CA 1.918 59.991 58.100 -0.045 0.000 1.149 103 Y CB -0.380 38.038 38.460 -0.069 0.000 0.976 103 Y HN 0.062 nan 8.280 nan 0.000 0.505 104 Q N -0.610 119.154 119.800 -0.059 0.000 2.079 104 Q HA -0.164 4.175 4.340 -0.001 0.000 0.200 104 Q C 2.136 178.234 176.000 0.164 0.000 0.974 104 Q CA 2.145 57.935 55.803 -0.022 0.000 0.840 104 Q CB -0.586 28.244 28.738 0.153 0.000 0.898 104 Q HN 0.783 nan 8.270 nan 0.000 0.430 105 H N -0.863 118.230 119.070 0.039 0.000 2.465 105 H HA 0.061 4.617 4.556 -0.001 0.000 0.289 105 H C 0.840 176.273 175.328 0.175 0.000 1.022 105 H CA 0.553 56.660 56.048 0.099 0.000 1.340 105 H CB 0.700 30.481 29.762 0.032 0.000 1.437 105 H HN 0.213 nan 8.280 nan 0.000 0.539 106 D N -0.692 119.839 120.400 0.218 0.000 3.165 106 D HA 0.002 4.642 4.640 -0.001 0.000 0.264 106 D C 1.849 178.235 176.300 0.143 0.000 1.363 106 D CA 0.469 54.591 54.000 0.204 0.000 1.166 106 D CB -0.102 40.745 40.800 0.079 0.000 1.291 106 D HN 0.047 nan 8.370 nan 0.000 0.390 107 T N 2.768 117.338 114.554 0.027 0.000 2.699 107 T HA -0.205 4.144 4.350 -0.001 0.000 0.268 107 T C 1.936 176.495 174.700 -0.235 0.000 1.036 107 T CA 1.900 63.956 62.100 -0.073 0.000 1.147 107 T CB -0.234 68.428 68.868 -0.343 0.000 0.862 107 T HN 0.276 nan 8.240 nan 0.000 0.446 108 K N 0.635 120.723 120.400 -0.521 0.000 2.209 108 K HA -0.150 4.170 4.320 -0.001 0.000 0.204 108 K C 1.969 178.354 176.600 -0.357 0.000 1.048 108 K CA 1.449 57.415 56.287 -0.535 0.000 0.940 108 K CB -0.367 31.593 32.500 -0.900 0.000 0.729 108 K HN 0.427 nan 8.250 nan 0.000 0.451 109 H N 0.972 119.988 119.070 -0.090 0.000 2.403 109 H HA 0.080 4.636 4.556 -0.001 0.000 0.298 109 H C 2.263 177.611 175.328 0.033 0.000 1.059 109 H CA 1.277 57.328 56.048 0.005 0.000 1.363 109 H CB -0.089 29.699 29.762 0.043 0.000 1.410 109 H HN 0.188 nan 8.280 nan 0.000 0.528 110 I N 0.735 121.396 120.570 0.152 0.000 2.179 110 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 110 I C 2.378 178.519 176.117 0.040 0.000 1.088 110 I CA 1.073 62.505 61.300 0.220 0.000 1.357 110 I CB -0.215 37.973 38.000 0.314 0.000 1.051 110 I HN 0.102 nan 8.210 nan 0.000 0.409 111 L N -0.504 120.517 121.223 -0.337 0.000 2.109 111 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 111 L C 2.711 179.234 176.870 -0.580 0.000 1.086 111 L CA 1.028 55.415 54.840 -0.756 0.000 0.760 111 L CB -0.474 40.544 42.059 -1.736 0.000 0.910 111 L HN 0.220 nan 8.230 nan 0.000 0.437 112 S N 0.207 115.714 115.700 -0.322 0.000 2.355 112 S HA -0.137 4.332 4.470 -0.001 0.000 0.222 112 S C 1.789 176.383 174.600 -0.011 0.000 1.031 112 S CA 1.400 59.652 58.200 0.087 0.000 0.993 112 S CB -0.135 63.180 63.200 0.192 0.000 0.859 112 S HN 0.439 nan 8.310 nan 0.000 0.453 113 N N 1.505 120.199 118.700 -0.011 0.000 2.396 113 N HA 0.120 4.859 4.740 -0.001 0.000 0.180 113 N C 1.725 176.964 175.510 -0.451 0.000 1.028 113 N CA 1.013 54.017 53.050 -0.077 0.000 0.893 113 N CB -0.621 37.952 38.487 0.142 0.000 0.967 113 N HN 0.499 nan 8.380 nan 0.000 0.440 114 A N 1.088 123.671 122.820 -0.394 0.000 1.898 114 A HA -0.067 4.253 4.320 -0.001 0.000 0.216 114 A C 2.191 179.489 177.584 -0.476 0.000 1.181 114 A CA 0.813 52.431 52.037 -0.698 0.000 0.620 114 A CB -0.655 18.198 19.000 -0.245 0.000 0.819 114 A HN 0.213 nan 8.150 nan 0.000 0.442 115 L N 0.090 121.184 121.223 -0.216 0.000 2.012 115 L HA -0.166 4.174 4.340 -0.001 0.000 0.210 115 L C 2.433 179.221 176.870 -0.136 0.000 1.073 115 L CA 2.099 56.888 54.840 -0.086 0.000 0.748 115 L CB -0.668 41.413 42.059 0.037 0.000 0.891 115 L HN 0.367 nan 8.230 nan 0.000 0.431 116 R N -1.538 118.836 120.500 -0.210 0.000 2.070 116 R HA -0.142 4.197 4.340 -0.001 0.000 0.233 116 R C 2.370 178.470 176.300 -0.333 0.000 1.137 116 R CA 1.534 57.482 56.100 -0.254 0.000 0.945 116 R CB -0.736 29.389 30.300 -0.293 0.000 0.845 116 R HN 0.536 nan 8.270 nan 0.000 0.430 117 H N 0.619 119.408 119.070 -0.469 0.000 2.353 117 H HA -0.057 4.498 4.556 -0.001 0.000 0.300 117 H C 2.245 177.355 175.328 -0.363 0.000 1.090 117 H CA 1.362 57.108 56.048 -0.503 0.000 1.327 117 H CB 0.002 29.174 29.762 -0.984 0.000 1.383 117 H HN 0.166 nan 8.280 nan 0.000 0.508 118 L N -0.153 120.893 121.223 -0.294 0.000 2.109 118 L HA -0.165 4.174 4.340 -0.001 0.000 0.207 118 L C 2.746 179.578 176.870 -0.064 0.000 1.086 118 L CA 0.969 55.718 54.840 -0.152 0.000 0.760 118 L CB -0.597 41.385 42.059 -0.129 0.000 0.910 118 L HN 0.380 nan 8.230 nan 0.000 0.437 119 H N 0.725 119.717 119.070 -0.130 0.000 2.319 119 H HA -0.193 4.362 4.556 -0.001 0.000 0.299 119 H C 1.274 176.557 175.328 -0.075 0.000 1.092 119 H CA 2.014 58.012 56.048 -0.083 0.000 1.302 119 H CB 0.203 29.913 29.762 -0.086 0.000 1.373 119 H HN 0.327 nan 8.280 nan 0.000 0.497 120 D N 0.236 120.612 120.400 -0.041 0.000 2.323 120 D HA -0.036 4.603 4.640 -0.001 0.000 0.209 120 D C -0.023 176.241 176.300 -0.060 0.000 0.973 120 D CA 0.516 54.477 54.000 -0.066 0.000 0.874 120 D CB -0.173 40.602 40.800 -0.041 0.000 0.930 120 D HN 0.397 nan 8.370 nan 0.000 0.521 121 N N 1.084 119.757 118.700 -0.044 0.000 2.804 121 N HA 0.124 4.864 4.740 -0.001 0.000 0.251 121 N C -1.946 173.566 175.510 0.004 0.000 1.250 121 N CA -1.110 51.944 53.050 0.007 0.000 0.820 121 N CB 2.170 40.691 38.487 0.057 0.000 1.156 121 N HN -0.137 nan 8.380 nan 0.000 0.512 122 P HA -0.227 nan 4.420 nan 0.000 0.218 122 P C 0.460 177.787 177.300 0.046 0.000 1.150 122 P CA 1.471 64.569 63.100 -0.002 0.000 0.841 122 P CB 0.558 32.251 31.700 -0.012 0.000 0.784 123 E N -1.823 118.435 120.200 0.097 0.000 2.442 123 E HA 0.074 4.424 4.350 -0.001 0.000 0.195 123 E C 0.970 177.709 176.600 0.232 0.000 1.030 123 E CA -0.056 56.447 56.400 0.171 0.000 0.869 123 E CB -0.511 29.323 29.700 0.224 0.000 0.857 123 E HN 0.167 nan 8.360 nan 0.000 0.505 124 M N 1.172 120.842 119.600 0.116 0.000 2.243 124 M HA 0.140 4.619 4.480 -0.001 0.000 0.341 124 M C -0.630 175.651 176.300 -0.032 0.000 1.130 124 M CA 0.182 55.442 55.300 -0.066 0.000 1.162 124 M CB 0.468 33.006 32.600 -0.104 0.000 1.497 124 M HN -0.337 nan 8.290 nan 0.000 0.456 125 K N 3.160 123.506 120.400 -0.089 0.000 2.400 125 K HA 0.666 4.985 4.320 -0.001 0.000 0.246 125 K C -1.711 174.929 176.600 0.066 0.000 0.995 125 K CA -0.480 55.815 56.287 0.012 0.000 0.840 125 K CB 2.122 34.658 32.500 0.060 0.000 1.293 125 K HN 0.681 nan 8.250 nan 0.000 0.445 126 F N 1.427 121.287 119.950 -0.150 0.000 2.669 126 F HA 0.393 4.920 4.527 -0.001 0.000 0.315 126 F C -1.478 174.209 175.800 -0.188 0.000 1.109 126 F CA -1.178 56.718 58.000 -0.172 0.000 1.028 126 F CB 0.939 39.908 39.000 -0.051 0.000 1.287 126 F HN 0.436 nan 8.300 nan 0.000 0.452 127 I N 2.206 122.375 120.570 -0.668 0.000 2.562 127 I HA 0.596 4.766 4.170 -0.001 0.000 0.301 127 I C -1.694 173.972 176.117 -0.751 0.000 1.003 127 I CA -0.582 60.322 61.300 -0.660 0.000 1.127 127 I CB 2.395 39.964 38.000 -0.719 0.000 1.304 127 I HN 0.701 nan 8.210 nan 0.000 0.446 128 W N 4.918 125.806 121.300 -0.686 0.000 2.839 128 W HA 0.641 5.300 4.660 -0.001 0.000 0.334 128 W C -0.723 175.704 176.519 -0.155 0.000 1.064 128 W CA -0.544 56.535 57.345 -0.442 0.000 1.236 128 W CB 2.672 31.927 29.460 -0.342 0.000 1.405 128 W HN 0.786 nan 8.180 nan 0.000 0.478 129 A N 3.392 125.860 122.820 -0.586 0.000 1.984 129 A HA 0.147 4.466 4.320 -0.001 0.000 0.203 129 A C 0.026 177.555 177.584 -0.091 0.000 1.292 129 A CA 0.406 52.323 52.037 -0.200 0.000 0.782 129 A CB -0.050 18.895 19.000 -0.091 0.000 0.924 129 A HN 0.506 nan 8.150 nan 0.000 0.475 130 E N 1.287 121.308 120.200 -0.299 0.000 1.932 130 E HA 0.254 4.604 4.350 -0.001 0.000 0.275 130 E C 0.546 177.317 176.600 0.285 0.000 1.159 130 E CA -0.245 56.156 56.400 0.002 0.000 0.905 130 E CB 0.480 30.177 29.700 -0.005 0.000 1.059 130 E HN 0.303 nan 8.360 nan 0.000 0.400 131 I N 1.473 122.118 120.570 0.126 0.000 2.493 131 I HA -0.222 3.947 4.170 -0.001 0.000 0.254 131 I C 1.968 177.801 176.117 -0.474 0.000 1.160 131 I CA 0.993 62.304 61.300 0.019 0.000 1.445 131 I CB -1.455 36.599 38.000 0.089 0.000 1.086 131 I HN 0.409 nan 8.210 nan 0.000 0.433 132 S N 0.674 115.791 115.700 -0.972 0.000 2.365 132 S HA -0.257 4.213 4.470 -0.001 0.000 0.225 132 S C 2.203 176.485 174.600 -0.530 0.000 1.039 132 S CA 1.262 58.426 58.200 -1.728 0.000 1.033 132 S CB -1.131 61.080 63.200 -1.649 0.000 0.887 132 S HN 0.476 nan 8.310 nan 0.000 0.447 133 Y N 0.058 120.368 120.300 0.017 0.000 2.220 133 Y HA 0.043 4.593 4.550 -0.001 0.000 0.291 133 Y C 2.311 178.287 175.900 0.126 0.000 1.129 133 Y CA 1.051 59.276 58.100 0.207 0.000 1.161 133 Y CB -0.401 38.285 38.460 0.377 0.000 0.997 133 Y HN 0.283 nan 8.280 nan 0.000 0.522 134 F N 0.223 120.275 119.950 0.171 0.000 2.134 134 F HA -0.257 4.270 4.527 -0.001 0.000 0.299 134 F C 2.337 177.986 175.800 -0.252 0.000 1.097 134 F CA 1.267 59.238 58.000 -0.050 0.000 1.264 134 F CB -0.502 38.461 39.000 -0.061 0.000 1.001 134 F HN -0.010 nan 8.300 nan 0.000 0.479 135 A N 0.079 122.571 122.820 -0.547 0.000 1.902 135 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 135 A C 2.166 179.645 177.584 -0.175 0.000 1.181 135 A CA 1.779 53.301 52.037 -0.858 0.000 0.623 135 A CB -0.757 17.640 19.000 -1.004 0.000 0.818 135 A HN 0.389 nan 8.150 nan 0.000 0.443 136 R N -1.098 119.343 120.500 -0.099 0.000 2.091 136 R HA -0.141 4.199 4.340 -0.001 0.000 0.238 136 R C 1.766 178.049 176.300 -0.029 0.000 1.136 136 R CA 2.036 58.096 56.100 -0.066 0.000 0.959 136 R CB -0.803 29.379 30.300 -0.197 0.000 0.856 136 R HN 0.485 nan 8.270 nan 0.000 0.437 137 F N -0.279 119.608 119.950 -0.104 0.000 2.060 137 F HA -0.128 4.398 4.527 -0.001 0.000 0.295 137 F C 1.943 177.672 175.800 -0.118 0.000 1.120 137 F CA 1.662 59.653 58.000 -0.015 0.000 1.205 137 F CB -0.937 37.986 39.000 -0.128 0.000 0.986 137 F HN 0.101 nan 8.300 nan 0.000 0.470 138 Y N 0.727 120.814 120.300 -0.355 0.000 2.114 138 Y HA -0.333 4.217 4.550 -0.001 0.000 0.282 138 Y C 2.814 178.529 175.900 -0.308 0.000 1.165 138 Y CA 2.489 60.366 58.100 -0.372 0.000 1.148 138 Y CB -0.885 37.480 38.460 -0.159 0.000 0.972 138 Y HN 0.177 nan 8.280 nan 0.000 0.504 139 H N -0.886 118.175 119.070 -0.014 0.000 2.521 139 H HA -0.095 4.460 4.556 -0.001 0.000 0.286 139 H C 1.171 176.401 175.328 -0.164 0.000 1.034 139 H CA 1.510 57.513 56.048 -0.076 0.000 1.278 139 H CB -0.109 29.666 29.762 0.021 0.000 1.386 139 H HN 0.461 nan 8.280 nan 0.000 0.567 140 D N -0.069 120.255 120.400 -0.127 0.000 2.354 140 D HA 0.078 4.717 4.640 -0.001 0.000 0.209 140 D C 0.698 176.828 176.300 -0.284 0.000 1.015 140 D CA 0.046 53.954 54.000 -0.153 0.000 0.867 140 D CB 0.359 41.105 40.800 -0.090 0.000 0.933 140 D HN 0.175 nan 8.370 nan 0.000 0.520 141 L N 0.480 121.428 121.223 -0.459 0.000 2.452 141 L HA 0.322 4.662 4.340 -0.001 0.000 0.267 141 L C 1.355 178.035 176.870 -0.317 0.000 1.188 141 L CA -0.552 54.006 54.840 -0.471 0.000 0.821 141 L CB 0.784 42.474 42.059 -0.615 0.000 1.102 141 L HN -0.024 nan 8.230 nan 0.000 0.470 142 G N 0.418 109.078 108.800 -0.233 0.000 2.572 142 G HA2 0.079 4.039 3.960 -0.001 0.000 0.261 142 G HA3 0.079 4.039 3.960 -0.001 0.000 0.261 142 G C 0.614 175.418 174.900 -0.160 0.000 1.197 142 G CA -0.298 44.707 45.100 -0.158 0.000 0.870 142 G HN 0.766 nan 8.290 nan 0.000 0.548 143 E N 0.247 120.383 120.200 -0.106 0.000 2.097 143 E HA -0.218 4.131 4.350 -0.001 0.000 0.196 143 E C 2.183 178.746 176.600 -0.061 0.000 1.000 143 E CA 1.684 58.037 56.400 -0.077 0.000 0.804 143 E CB -0.155 29.524 29.700 -0.035 0.000 0.740 143 E HN 0.588 nan 8.360 nan 0.000 0.454 144 N N 0.072 118.737 118.700 -0.058 0.000 2.069 144 N HA -0.190 4.549 4.740 -0.001 0.000 0.191 144 N C 1.458 176.936 175.510 -0.053 0.000 1.031 144 N CA 1.358 54.380 53.050 -0.046 0.000 0.852 144 N CB -0.007 38.449 38.487 -0.051 0.000 1.018 144 N HN 0.029 nan 8.380 nan 0.000 0.423 145 K N 1.235 121.583 120.400 -0.087 0.000 2.148 145 K HA -0.025 4.295 4.320 -0.001 0.000 0.204 145 K C 2.014 178.584 176.600 -0.050 0.000 1.050 145 K CA 0.667 56.904 56.287 -0.085 0.000 0.942 145 K CB -0.181 32.241 32.500 -0.129 0.000 0.724 145 K HN 0.333 nan 8.250 nan 0.000 0.446 146 K N 0.730 121.061 120.400 -0.114 0.000 2.097 146 K HA -0.053 4.267 4.320 -0.001 0.000 0.206 146 K C 2.235 178.925 176.600 0.151 0.000 1.049 146 K CA 0.938 57.182 56.287 -0.071 0.000 0.933 146 K CB -0.137 32.203 32.500 -0.267 0.000 0.717 146 K HN 0.056 nan 8.250 nan 0.000 0.442 147 L N 0.875 122.148 121.223 0.083 0.000 2.056 147 L HA -0.206 4.134 4.340 -0.001 0.000 0.207 147 L C 2.534 179.473 176.870 0.116 0.000 1.078 147 L CA 1.285 56.187 54.840 0.104 0.000 0.749 147 L CB -0.386 41.710 42.059 0.061 0.000 0.901 147 L HN 0.253 nan 8.230 nan 0.000 0.433 148 Q N -0.850 119.002 119.800 0.087 0.000 2.124 148 Q HA -0.256 4.083 4.340 -0.001 0.000 0.202 148 Q C 2.195 178.289 176.000 0.157 0.000 0.977 148 Q CA 1.605 57.470 55.803 0.104 0.000 0.850 148 Q CB -0.146 28.601 28.738 0.014 0.000 0.901 148 Q HN 0.348 nan 8.270 nan 0.000 0.429 149 M N 1.131 120.850 119.600 0.198 0.000 2.132 149 M HA -0.147 4.333 4.480 -0.001 0.000 0.263 149 M C 1.517 177.999 176.300 0.303 0.000 1.065 149 M CA 1.784 57.263 55.300 0.297 0.000 1.122 149 M CB 0.053 32.921 32.600 0.446 0.000 1.365 149 M HN -0.103 nan 8.290 nan 0.000 0.411 150 K N -0.375 120.200 120.400 0.292 0.000 2.147 150 K HA -0.110 4.209 4.320 -0.001 0.000 0.205 150 K C 2.053 178.749 176.600 0.161 0.000 1.049 150 K CA 1.620 58.046 56.287 0.231 0.000 0.936 150 K CB -0.392 32.230 32.500 0.205 0.000 0.722 150 K HN 0.596 nan 8.250 nan 0.000 0.446 151 S N 1.727 117.513 115.700 0.143 0.000 2.371 151 S HA -0.120 4.349 4.470 -0.001 0.000 0.224 151 S C 2.122 176.776 174.600 0.091 0.000 1.029 151 S CA 1.056 59.319 58.200 0.105 0.000 0.978 151 S CB -0.715 62.546 63.200 0.102 0.000 0.833 151 S HN 0.457 nan 8.310 nan 0.000 0.466 152 I N -0.363 120.271 120.570 0.106 0.000 2.830 152 I HA 0.078 4.247 4.170 -0.001 0.000 0.263 152 I C 1.926 178.076 176.117 0.054 0.000 1.230 152 I CA 0.509 61.852 61.300 0.072 0.000 1.480 152 I CB -0.403 37.641 38.000 0.074 0.000 1.095 152 I HN 0.144 nan 8.210 nan 0.000 0.455 153 V N 1.432 121.397 119.914 0.086 0.000 2.379 153 V HA -0.147 3.972 4.120 -0.001 0.000 0.243 153 V C 2.668 178.797 176.094 0.059 0.000 1.035 153 V CA 1.739 64.080 62.300 0.068 0.000 1.035 153 V CB -0.583 31.343 31.823 0.173 0.000 0.673 153 V HN 0.396 nan 8.190 nan 0.000 0.457 154 K N 1.508 121.950 120.400 0.071 0.000 2.097 154 K HA -0.224 4.096 4.320 -0.001 0.000 0.206 154 K C 1.782 178.399 176.600 0.029 0.000 1.049 154 K CA 1.872 58.188 56.287 0.049 0.000 0.933 154 K CB -0.193 32.338 32.500 0.051 0.000 0.717 154 K HN 0.666 nan 8.250 nan 0.000 0.442 155 N N -0.670 118.047 118.700 0.028 0.000 2.461 155 N HA -0.008 4.731 4.740 -0.001 0.000 0.188 155 N C 0.889 176.403 175.510 0.007 0.000 1.134 155 N CA 1.137 54.196 53.050 0.016 0.000 0.878 155 N CB 0.414 38.910 38.487 0.015 0.000 0.972 155 N HN 0.325 nan 8.380 nan 0.000 0.456 156 G N -0.391 108.410 108.800 0.002 0.000 2.175 156 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.244 156 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.244 156 G C 0.813 175.700 174.900 -0.021 0.000 0.982 156 G CA 0.434 45.525 45.100 -0.015 0.000 0.641 156 G HN 0.447 nan 8.290 nan 0.000 0.527 157 Q N -1.129 118.665 119.800 -0.010 0.000 2.096 157 Q HA 0.212 4.551 4.340 -0.001 0.000 0.197 157 Q C 1.157 177.148 176.000 -0.016 0.000 0.964 157 Q CA 0.824 56.626 55.803 -0.002 0.000 0.838 157 Q CB 0.221 28.962 28.738 0.006 0.000 0.906 157 Q HN 0.464 nan 8.270 nan 0.000 0.444 158 L N 1.697 122.890 121.223 -0.049 0.000 2.280 158 L HA 0.383 4.722 4.340 -0.001 0.000 0.287 158 L C -1.044 175.648 176.870 -0.298 0.000 1.023 158 L CA 0.055 54.818 54.840 -0.129 0.000 0.819 158 L CB 1.394 43.386 42.059 -0.111 0.000 1.212 158 L HN 0.105 nan 8.230 nan 0.000 0.420 159 E N 4.714 124.698 120.200 -0.359 0.000 2.210 159 E HA 0.396 4.746 4.350 -0.001 0.000 0.266 159 E C -1.582 174.744 176.600 -0.456 0.000 0.883 159 E CA -0.676 55.516 56.400 -0.348 0.000 0.761 159 E CB 1.475 31.057 29.700 -0.197 0.000 1.156 159 E HN 0.493 nan 8.360 nan 0.000 0.412 160 F N 3.225 123.120 119.950 -0.090 0.000 2.410 160 F HA 0.252 4.779 4.527 -0.001 0.000 0.348 160 F C 0.229 175.994 175.800 -0.058 0.000 1.106 160 F CA -0.663 57.296 58.000 -0.069 0.000 1.163 160 F CB 1.338 40.310 39.000 -0.046 0.000 1.129 160 F HN 0.190 nan 8.300 nan 0.000 0.516 161 V N 0.132 120.100 119.914 0.091 0.000 2.459 161 V HA 0.644 4.763 4.120 -0.001 0.000 0.295 161 V C 0.217 176.441 176.094 0.216 0.000 1.029 161 V CA -0.506 61.852 62.300 0.096 0.000 0.874 161 V CB 0.844 32.623 31.823 -0.074 0.000 0.985 161 V HN 1.003 nan 8.190 nan 0.000 0.438 162 T N 3.337 118.095 114.554 0.339 0.000 13.097 162 T HA -0.279 4.070 4.350 -0.001 0.000 0.418 162 T C 1.664 176.591 174.700 0.377 0.000 1.446 162 T CA 2.684 65.029 62.100 0.408 0.000 2.371 162 T CB -1.680 67.331 68.868 0.239 0.000 2.810 162 T HN 2.771 nan 8.240 nan 0.000 0.655 163 G N 1.815 110.775 108.800 0.267 0.000 2.137 163 G HA2 0.121 4.081 3.960 -0.001 0.000 0.237 163 G HA3 0.121 4.081 3.960 -0.001 0.000 0.237 163 G C 0.266 175.303 174.900 0.228 0.000 1.002 163 G CA 0.599 45.832 45.100 0.223 0.000 0.702 163 G HN 1.531 nan 8.290 nan 0.000 0.515 164 G N -1.720 107.213 108.800 0.223 0.000 2.504 164 G HA2 0.405 4.365 3.960 -0.001 0.000 0.288 164 G HA3 0.405 4.365 3.960 -0.001 0.000 0.288 164 G C 0.929 175.998 174.900 0.282 0.000 1.182 164 G CA 0.087 45.329 45.100 0.236 0.000 0.894 164 G HN 0.345 nan 8.290 nan 0.000 0.521 165 W N 0.482 121.823 121.300 0.069 0.000 2.342 165 W HA -0.027 4.632 4.660 -0.001 0.000 0.297 165 W C 0.613 177.156 176.519 0.041 0.000 1.213 165 W CA 1.907 59.277 57.345 0.041 0.000 1.251 165 W CB 0.268 29.735 29.460 0.011 0.000 1.136 165 W HN 0.411 nan 8.180 nan 0.000 0.526 166 V N -2.718 117.309 119.914 0.188 0.000 3.103 166 V HA 0.503 4.622 4.120 -0.001 0.000 0.311 166 V C -0.522 175.654 176.094 0.138 0.000 1.322 166 V CA -1.252 61.102 62.300 0.089 0.000 1.063 166 V CB 1.735 33.624 31.823 0.111 0.000 1.090 166 V HN -0.068 nan 8.190 nan 0.000 0.462 167 M N 3.938 123.650 119.600 0.186 0.000 2.131 167 M HA 0.512 4.991 4.480 -0.001 0.000 0.345 167 M C -2.705 173.760 176.300 0.275 0.000 1.060 167 M CA -1.951 53.478 55.300 0.215 0.000 1.011 167 M CB 1.446 34.205 32.600 0.265 0.000 1.328 167 M HN 0.677 nan 8.290 nan 0.000 0.396 168 P HA 0.063 nan 4.420 nan 0.000 0.272 168 P C -0.931 176.383 177.300 0.022 0.000 1.223 168 P CA -0.017 63.136 63.100 0.088 0.000 0.784 168 P CB 0.557 32.296 31.700 0.065 0.000 0.923 169 D N 0.722 121.098 120.400 -0.040 0.000 2.382 169 D HA -0.029 4.611 4.640 -0.001 0.000 0.240 169 D C 0.576 176.887 176.300 0.019 0.000 1.146 169 D CA 0.367 54.317 54.000 -0.082 0.000 0.897 169 D CB 0.426 41.187 40.800 -0.065 0.000 1.197 169 D HN 0.321 nan 8.370 nan 0.000 0.432 170 E N 1.105 121.363 120.200 0.096 0.000 2.562 170 E HA 0.219 4.568 4.350 -0.001 0.000 0.214 170 E C 0.724 177.509 176.600 0.308 0.000 0.979 170 E CA -0.042 56.482 56.400 0.207 0.000 1.002 170 E CB 0.777 30.616 29.700 0.233 0.000 1.048 170 E HN 0.487 nan 8.360 nan 0.000 0.488 171 A N 1.329 124.262 122.820 0.190 0.000 1.909 171 A HA 0.028 4.347 4.320 -0.001 0.000 0.209 171 A C 1.804 179.273 177.584 -0.191 0.000 1.247 171 A CA 0.497 52.418 52.037 -0.192 0.000 0.660 171 A CB 0.017 18.820 19.000 -0.328 0.000 0.910 171 A HN 0.037 nan 8.150 nan 0.000 0.465 172 N N 0.567 119.237 118.700 -0.051 0.000 2.415 172 N HA 0.038 4.778 4.740 -0.001 0.000 0.176 172 N C 0.112 175.609 175.510 -0.022 0.000 1.042 172 N CA 0.277 53.298 53.050 -0.048 0.000 0.902 172 N CB 0.011 38.511 38.487 0.022 0.000 0.986 172 N HN 0.241 nan 8.380 nan 0.000 0.447 173 S N 0.885 116.584 115.700 -0.003 0.000 2.549 173 S HA -0.023 4.447 4.470 -0.001 0.000 0.283 173 S C 0.085 174.702 174.600 0.028 0.000 1.320 173 S CA -0.189 58.021 58.200 0.017 0.000 1.058 173 S CB 0.799 64.013 63.200 0.023 0.000 0.882 173 S HN 0.250 nan 8.310 nan 0.000 0.498 174 H N 3.417 122.467 119.070 -0.032 0.000 2.525 174 H HA 0.049 4.605 4.556 -0.001 0.000 0.339 174 H C 1.214 176.517 175.328 -0.041 0.000 1.109 174 H CA -0.585 55.433 56.048 -0.051 0.000 1.352 174 H CB 0.458 30.140 29.762 -0.132 0.000 1.461 174 H HN 0.955 nan 8.280 nan 0.000 0.533 175 W N 5.703 126.958 121.300 -0.076 0.000 2.350 175 W HA -0.171 4.488 4.660 -0.001 0.000 0.289 175 W C 1.093 177.693 176.519 0.135 0.000 1.215 175 W CA 0.392 57.750 57.345 0.021 0.000 1.236 175 W CB -0.496 28.929 29.460 -0.059 0.000 1.130 175 W HN 0.535 nan 8.180 nan 0.000 0.541 176 R N 0.805 120.906 120.500 -0.665 0.000 2.081 176 R HA -0.144 4.195 4.340 -0.001 0.000 0.235 176 R C 2.026 178.154 176.300 -0.287 0.000 1.131 176 R CA 1.952 57.564 56.100 -0.813 0.000 0.960 176 R CB -0.446 29.315 30.300 -0.898 0.000 0.856 176 R HN 0.142 nan 8.270 nan 0.000 0.436 177 N N -0.168 118.448 118.700 -0.141 0.000 2.354 177 N HA -0.060 4.680 4.740 -0.001 0.000 0.179 177 N C 1.701 177.211 175.510 -0.001 0.000 1.021 177 N CA 0.697 53.709 53.050 -0.063 0.000 0.887 177 N CB 0.034 38.504 38.487 -0.029 0.000 0.974 177 N HN 0.011 nan 8.380 nan 0.000 0.437 178 V N 1.308 121.248 119.914 0.042 0.000 2.358 178 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 178 V C 2.295 178.434 176.094 0.075 0.000 1.047 178 V CA 1.001 63.346 62.300 0.076 0.000 1.035 178 V CB -0.432 31.460 31.823 0.116 0.000 0.658 178 V HN 0.190 nan 8.190 nan 0.000 0.452 179 L N -0.318 120.957 121.223 0.087 0.000 2.056 179 L HA -0.083 4.257 4.340 -0.001 0.000 0.207 179 L C 2.153 179.033 176.870 0.017 0.000 1.078 179 L CA 1.743 56.628 54.840 0.076 0.000 0.749 179 L CB -0.659 41.477 42.059 0.129 0.000 0.901 179 L HN 0.270 nan 8.230 nan 0.000 0.433 180 L N 0.002 121.213 121.223 -0.020 0.000 1.989 180 L HA -0.252 4.088 4.340 -0.001 0.000 0.211 180 L C 2.599 179.457 176.870 -0.020 0.000 1.071 180 L CA 2.377 57.193 54.840 -0.039 0.000 0.749 180 L CB -0.822 41.194 42.059 -0.071 0.000 0.890 180 L HN 0.677 nan 8.230 nan 0.000 0.431 181 Q N -0.950 118.859 119.800 0.015 0.000 2.167 181 Q HA -0.199 4.141 4.340 -0.001 0.000 0.202 181 Q C 2.018 178.099 176.000 0.134 0.000 0.970 181 Q CA 2.097 57.944 55.803 0.073 0.000 0.855 181 Q CB -1.166 27.651 28.738 0.132 0.000 0.911 181 Q HN 0.479 nan 8.270 nan 0.000 0.438 182 L N 0.795 122.083 121.223 0.108 0.000 2.027 182 L HA -0.083 4.256 4.340 -0.001 0.000 0.206 182 L C 1.921 178.871 176.870 0.132 0.000 1.074 182 L CA 2.446 57.365 54.840 0.131 0.000 0.745 182 L CB -1.014 41.100 42.059 0.092 0.000 0.898 182 L HN 0.328 nan 8.230 nan 0.000 0.433 183 T N -0.876 113.725 114.554 0.078 0.000 2.746 183 T HA -0.197 4.152 4.350 -0.001 0.000 0.267 183 T C 1.729 176.481 174.700 0.087 0.000 1.039 183 T CA 1.490 63.628 62.100 0.064 0.000 1.142 183 T CB -0.214 68.661 68.868 0.012 0.000 0.866 183 T HN 0.339 nan 8.240 nan 0.000 0.444 184 E N 0.983 121.208 120.200 0.042 0.000 2.058 184 E HA -0.058 4.291 4.350 -0.001 0.000 0.194 184 E C 2.332 179.046 176.600 0.190 0.000 0.997 184 E CA 1.590 57.975 56.400 -0.024 0.000 0.801 184 E CB -0.877 28.633 29.700 -0.315 0.000 0.746 184 E HN 0.459 nan 8.360 nan 0.000 0.450 185 G N -0.131 108.866 108.800 0.329 0.000 2.404 185 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.215 185 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.215 185 G C 1.476 176.585 174.900 0.347 0.000 1.174 185 G CA 0.662 46.037 45.100 0.458 0.000 0.780 185 G HN 0.266 nan 8.290 nan 0.000 0.537 186 Q N -0.126 119.820 119.800 0.244 0.000 2.172 186 Q HA -0.060 4.279 4.340 -0.001 0.000 0.200 186 Q C 2.766 178.864 176.000 0.164 0.000 0.964 186 Q CA 1.435 57.345 55.803 0.178 0.000 0.855 186 Q CB -0.239 28.587 28.738 0.147 0.000 0.918 186 Q HN 0.403 nan 8.270 nan 0.000 0.444 187 T N 0.178 114.843 114.554 0.184 0.000 2.821 187 T HA -0.174 4.175 4.350 -0.001 0.000 0.267 187 T C 1.091 175.905 174.700 0.190 0.000 1.046 187 T CA 1.028 63.217 62.100 0.149 0.000 1.139 187 T CB -0.329 68.623 68.868 0.139 0.000 0.871 187 T HN 0.475 nan 8.240 nan 0.000 0.454 188 W N 1.613 123.013 121.300 0.168 0.000 2.355 188 W HA -0.013 4.647 4.660 -0.001 0.000 0.309 188 W C 1.766 178.413 176.519 0.213 0.000 1.206 188 W CA 0.837 58.360 57.345 0.297 0.000 1.284 188 W CB -0.459 29.225 29.460 0.373 0.000 1.145 188 W HN 0.131 nan 8.180 nan 0.000 0.502 189 L N 0.716 122.150 121.223 0.351 0.000 2.042 189 L HA -0.266 4.074 4.340 -0.001 0.000 0.210 189 L C 2.636 179.436 176.870 -0.117 0.000 1.076 189 L CA 1.942 56.807 54.840 0.043 0.000 0.749 189 L CB -0.971 41.059 42.059 -0.049 0.000 0.893 189 L HN -0.003 nan 8.230 nan 0.000 0.432 190 K N -0.027 120.332 120.400 -0.068 0.000 2.026 190 K HA -0.265 4.054 4.320 -0.001 0.000 0.208 190 K C 2.203 178.682 176.600 -0.202 0.000 1.048 190 K CA 1.675 57.901 56.287 -0.103 0.000 0.929 190 K CB -0.049 32.418 32.500 -0.056 0.000 0.713 190 K HN 0.266 nan 8.250 nan 0.000 0.439 191 Q N -0.778 118.844 119.800 -0.296 0.000 2.079 191 Q HA -0.143 4.197 4.340 -0.001 0.000 0.200 191 Q C 1.512 177.051 176.000 -0.768 0.000 0.974 191 Q CA 1.741 57.219 55.803 -0.541 0.000 0.840 191 Q CB 0.040 28.361 28.738 -0.695 0.000 0.898 191 Q HN 0.335 nan 8.270 nan 0.000 0.430 192 F N -1.538 118.039 119.950 -0.623 0.000 2.622 192 F HA 0.134 4.661 4.527 -0.001 0.000 0.288 192 F C 1.798 177.286 175.800 -0.519 0.000 1.120 192 F CA 0.084 57.660 58.000 -0.706 0.000 1.423 192 F CB 0.401 38.568 39.000 -1.388 0.000 1.127 192 F HN 0.083 nan 8.300 nan 0.000 0.588 193 M N -0.690 118.744 119.600 -0.276 0.000 2.367 193 M HA 0.190 4.670 4.480 -0.001 0.000 0.256 193 M C 0.313 176.584 176.300 -0.048 0.000 1.091 193 M CA 0.306 55.547 55.300 -0.099 0.000 1.049 193 M CB -0.807 31.757 32.600 -0.061 0.000 1.406 193 M HN 0.128 nan 8.290 nan 0.000 0.498 194 N N 1.736 120.376 118.700 -0.100 0.000 2.740 194 N HA -0.137 4.603 4.740 -0.001 0.000 0.248 194 N C -1.019 174.470 175.510 -0.035 0.000 1.062 194 N CA 0.750 53.758 53.050 -0.069 0.000 0.704 194 N CB -1.026 37.433 38.487 -0.047 0.000 0.968 194 N HN 0.324 nan 8.380 nan 0.000 0.547 195 V N -3.825 116.068 119.914 -0.035 0.000 3.012 195 V HA 0.868 4.987 4.120 -0.001 0.000 0.307 195 V C -0.058 176.019 176.094 -0.027 0.000 1.166 195 V CA -0.440 61.855 62.300 -0.008 0.000 0.974 195 V CB 2.313 34.174 31.823 0.063 0.000 1.040 195 V HN 0.060 nan 8.190 nan 0.000 0.428 196 T N 4.076 118.605 114.554 -0.042 0.000 2.930 196 T HA 0.578 4.928 4.350 -0.001 0.000 0.313 196 T C -2.758 171.858 174.700 -0.140 0.000 1.019 196 T CA -0.775 61.281 62.100 -0.073 0.000 1.004 196 T CB 1.402 70.218 68.868 -0.086 0.000 0.987 196 T HN 0.776 nan 8.240 nan 0.000 0.456 197 P HA 0.165 nan 4.420 nan 0.000 0.266 197 P C 0.821 177.720 177.300 -0.669 0.000 1.195 197 P CA -0.145 62.830 63.100 -0.209 0.000 0.768 197 P CB 0.526 32.221 31.700 -0.007 0.000 0.838 198 T N -1.577 112.648 114.554 -0.549 0.000 3.040 198 T HA 0.541 4.891 4.350 -0.001 0.000 0.266 198 T C 0.320 174.829 174.700 -0.318 0.000 1.005 198 T CA -0.293 61.370 62.100 -0.729 0.000 0.906 198 T CB 0.143 68.799 68.868 -0.354 0.000 1.082 198 T HN 0.408 nan 8.240 nan 0.000 0.531 199 A N 0.853 123.641 122.820 -0.053 0.000 2.343 199 A HA 0.792 5.111 4.320 -0.001 0.000 0.316 199 A C -0.172 177.676 177.584 0.440 0.000 1.104 199 A CA -0.685 51.480 52.037 0.214 0.000 0.768 199 A CB 1.801 20.932 19.000 0.219 0.000 1.213 199 A HN 0.250 nan 8.150 nan 0.000 0.456 200 S N 2.278 118.228 115.700 0.417 0.000 2.565 200 S HA 0.674 5.143 4.470 -0.001 0.000 0.290 200 S C -1.072 173.714 174.600 0.310 0.000 1.150 200 S CA -0.414 57.971 58.200 0.308 0.000 1.058 200 S CB 0.718 63.928 63.200 0.015 0.000 1.032 200 S HN 0.825 nan 8.310 nan 0.000 0.510 201 W N 4.669 125.984 121.300 0.024 0.000 2.543 201 W HA 0.631 5.290 4.660 -0.001 0.000 0.318 201 W C -1.545 174.918 176.519 -0.094 0.000 1.002 201 W CA -0.832 56.480 57.345 -0.056 0.000 1.302 201 W CB 1.011 30.414 29.460 -0.096 0.000 1.299 201 W HN 0.775 nan 8.180 nan 0.000 0.424 202 A N 8.023 130.661 122.820 -0.302 0.000 2.709 202 A HA 0.315 4.634 4.320 -0.001 0.000 0.332 202 A C 0.274 177.578 177.584 -0.466 0.000 1.241 202 A CA -0.493 51.374 52.037 -0.283 0.000 0.782 202 A CB -0.209 18.752 19.000 -0.065 0.000 1.109 202 A HN 0.714 nan 8.150 nan 0.000 0.472 203 I N -2.410 117.711 120.570 -0.748 0.000 3.783 203 I HA 0.288 4.457 4.170 -0.001 0.000 0.310 203 I C 0.728 176.515 176.117 -0.550 0.000 1.274 203 I CA 0.714 61.553 61.300 -0.768 0.000 1.294 203 I CB 0.453 37.737 38.000 -1.192 0.000 1.051 203 I HN 0.348 nan 8.210 nan 0.000 0.435 204 D N 0.683 120.714 120.400 -0.616 0.000 2.479 204 D HA 0.249 4.888 4.640 -0.001 0.000 0.221 204 D C -2.139 173.769 176.300 -0.653 0.000 1.104 204 D CA -0.853 52.810 54.000 -0.562 0.000 0.849 204 D CB 0.001 40.401 40.800 -0.668 0.000 1.072 204 D HN 0.181 nan 8.370 nan 0.000 0.502 205 P HA 0.004 nan 4.420 nan 0.000 0.265 205 P C -0.497 176.356 177.300 -0.745 0.000 1.187 205 P CA 0.129 62.724 63.100 -0.842 0.000 0.766 205 P CB 0.135 31.495 31.700 -0.566 0.000 0.820 206 F N 2.539 122.237 119.950 -0.420 0.000 2.605 206 F HA 0.532 5.058 4.527 -0.001 0.000 0.352 206 F C 1.441 177.186 175.800 -0.092 0.000 1.236 206 F CA -0.679 57.034 58.000 -0.477 0.000 1.267 206 F CB -1.273 37.592 39.000 -0.225 0.000 1.632 206 F HN 0.478 nan 8.300 nan 0.000 0.639 207 G N 1.081 109.660 108.800 -0.369 0.000 2.587 207 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.686 207 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.686 207 G C -1.542 173.044 174.900 -0.523 0.000 1.236 207 G CA -1.202 43.828 45.100 -0.116 0.000 0.820 207 G HN 0.575 nan 8.290 nan 0.000 0.645 208 H N -0.472 118.344 119.070 -0.423 0.000 2.690 208 H HA 0.781 5.337 4.556 -0.001 0.000 0.368 208 H C -0.287 174.879 175.328 -0.270 0.000 1.150 208 H CA 0.032 55.963 56.048 -0.194 0.000 1.174 208 H CB 2.079 31.872 29.762 0.050 0.000 1.684 208 H HN 0.676 nan 8.280 nan 0.000 0.538 209 S N 2.188 117.989 115.700 0.169 0.000 2.503 209 S HA 0.260 4.729 4.470 -0.001 0.000 0.301 209 S C -1.803 172.790 174.600 -0.012 0.000 1.087 209 S CA -1.797 56.505 58.200 0.171 0.000 1.042 209 S CB 1.416 64.790 63.200 0.289 0.000 1.043 209 S HN 0.452 nan 8.310 nan 0.000 0.489 210 P HA 0.013 nan 4.420 nan 0.000 0.234 210 P C 1.077 178.093 177.300 -0.474 0.000 1.167 210 P CA 0.751 63.384 63.100 -0.779 0.000 0.763 210 P CB -0.226 31.180 31.700 -0.491 0.000 0.835 211 T N -0.184 114.246 114.554 -0.208 0.000 2.881 211 T HA -0.082 4.267 4.350 -0.001 0.000 0.270 211 T C 1.832 176.496 174.700 -0.061 0.000 1.068 211 T CA 1.160 63.200 62.100 -0.101 0.000 1.131 211 T CB -0.375 68.481 68.868 -0.020 0.000 0.871 211 T HN -0.011 nan 8.240 nan 0.000 0.479 212 M N 0.974 120.490 119.600 -0.139 0.000 2.064 212 M HA 0.007 4.487 4.480 -0.001 0.000 0.260 212 M C -0.605 175.567 176.300 -0.212 0.000 1.073 212 M CA 1.177 56.396 55.300 -0.136 0.000 1.124 212 M CB -2.463 30.078 32.600 -0.098 0.000 1.326 212 M HN 0.131 nan 8.290 nan 0.000 0.410 213 P HA -0.196 nan 4.420 nan 0.000 0.218 213 P C 1.649 178.834 177.300 -0.193 0.000 1.149 213 P CA 1.386 64.313 63.100 -0.288 0.000 0.817 213 P CB -0.408 31.044 31.700 -0.414 0.000 0.785 214 Y N 1.301 121.422 120.300 -0.298 0.000 2.097 214 Y HA -0.208 4.341 4.550 -0.001 0.000 0.282 214 Y C 2.412 178.234 175.900 -0.131 0.000 1.152 214 Y CA 1.685 59.669 58.100 -0.194 0.000 1.136 214 Y CB -1.041 37.321 38.460 -0.165 0.000 0.975 214 Y HN -0.235 nan 8.280 nan 0.000 0.498 215 I N -0.453 120.098 120.570 -0.032 0.000 2.202 215 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 215 I C 2.307 178.335 176.117 -0.148 0.000 1.091 215 I CA 1.228 62.479 61.300 -0.081 0.000 1.368 215 I CB -0.465 37.567 38.000 0.053 0.000 1.058 215 I HN 0.258 nan 8.210 nan 0.000 0.410 216 L N 0.122 121.214 121.223 -0.220 0.000 2.046 216 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 216 L C 2.705 179.553 176.870 -0.037 0.000 1.077 216 L CA 1.239 55.882 54.840 -0.327 0.000 0.747 216 L CB -0.760 40.913 42.059 -0.644 0.000 0.896 216 L HN 0.345 nan 8.230 nan 0.000 0.432 217 Q N 1.150 120.898 119.800 -0.088 0.000 2.226 217 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 217 Q C 1.621 177.579 176.000 -0.069 0.000 0.975 217 Q CA 1.522 57.296 55.803 -0.048 0.000 0.866 217 Q CB 0.112 28.794 28.738 -0.094 0.000 0.915 217 Q HN 0.473 nan 8.270 nan 0.000 0.440 218 K N -0.493 119.821 120.400 -0.142 0.000 2.417 218 K HA 0.075 4.395 4.320 -0.001 0.000 0.196 218 K C 0.885 177.443 176.600 -0.070 0.000 1.023 218 K CA 0.170 56.365 56.287 -0.153 0.000 1.122 218 K CB 0.358 32.684 32.500 -0.290 0.000 0.850 218 K HN -0.107 nan 8.250 nan 0.000 0.521 219 S N -0.510 115.206 115.700 0.027 0.000 2.741 219 S HA 0.238 4.708 4.470 -0.001 0.000 0.247 219 S C 0.803 175.505 174.600 0.170 0.000 1.050 219 S CA 0.310 58.576 58.200 0.110 0.000 1.025 219 S CB 0.365 63.671 63.200 0.177 0.000 0.897 219 S HN 0.492 nan 8.310 nan 0.000 0.508 220 G N 0.813 109.663 108.800 0.084 0.000 2.179 220 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.260 220 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.260 220 G C -0.028 174.849 174.900 -0.039 0.000 0.977 220 G CA 0.085 45.182 45.100 -0.005 0.000 0.641 220 G HN 0.487 nan 8.290 nan 0.000 0.533 221 F N 0.423 120.333 119.950 -0.067 0.000 2.450 221 F HA 0.549 5.075 4.527 -0.001 0.000 0.339 221 F C 1.671 177.413 175.800 -0.097 0.000 1.146 221 F CA 0.476 58.432 58.000 -0.074 0.000 1.267 221 F CB 0.995 39.956 39.000 -0.066 0.000 1.178 221 F HN -0.062 nan 8.300 nan 0.000 0.585 222 K N 0.469 120.888 120.400 0.032 0.000 2.491 222 K HA 0.224 4.543 4.320 -0.001 0.000 0.211 222 K C -0.642 175.895 176.600 -0.105 0.000 1.210 222 K CA -0.059 56.187 56.287 -0.068 0.000 1.003 222 K CB 0.501 32.910 32.500 -0.151 0.000 1.009 222 K HN 0.611 nan 8.250 nan 0.000 0.577 223 N N 0.665 119.287 118.700 -0.131 0.000 2.484 223 N HA 0.432 5.172 4.740 -0.001 0.000 0.269 223 N C -1.423 173.941 175.510 -0.244 0.000 1.237 223 N CA -0.788 52.022 53.050 -0.399 0.000 0.838 223 N CB 2.011 39.721 38.487 -1.294 0.000 1.593 223 N HN -0.056 nan 8.380 nan 0.000 0.485 224 M N -0.117 119.344 119.600 -0.232 0.000 2.520 224 M HA 0.614 5.093 4.480 -0.001 0.000 0.280 224 M C -2.119 174.232 176.300 0.085 0.000 1.232 224 M CA -0.922 54.368 55.300 -0.016 0.000 0.892 224 M CB 2.458 35.041 32.600 -0.029 0.000 1.728 224 M HN 0.522 nan 8.290 nan 0.000 0.475 225 L N 4.152 125.442 121.223 0.112 0.000 2.386 225 L HA 0.878 5.217 4.340 -0.001 0.000 0.271 225 L C -1.484 175.247 176.870 -0.232 0.000 0.993 225 L CA -0.751 54.112 54.840 0.038 0.000 0.819 225 L CB 1.984 44.121 42.059 0.129 0.000 1.294 225 L HN 0.962 nan 8.230 nan 0.000 0.414 226 I N 0.950 121.293 120.570 -0.377 0.000 3.042 226 I HA 0.612 4.781 4.170 -0.001 0.000 0.310 226 I C -0.684 175.123 176.117 -0.516 0.000 1.117 226 I CA -0.584 60.300 61.300 -0.692 0.000 1.003 226 I CB 2.235 39.526 38.000 -1.182 0.000 1.228 226 I HN 0.749 nan 8.210 nan 0.000 0.443 227 Q N 2.055 121.632 119.800 -0.372 0.000 2.570 227 Q HA 0.332 4.671 4.340 -0.001 0.000 0.222 227 Q C 0.047 175.950 176.000 -0.162 0.000 0.769 227 Q CA 0.338 55.999 55.803 -0.237 0.000 0.934 227 Q CB 0.521 29.108 28.738 -0.252 0.000 1.309 227 Q HN 0.643 nan 8.270 nan 0.000 0.565 228 R N 2.138 122.540 120.500 -0.165 0.000 2.609 228 R HA 0.294 4.633 4.340 -0.001 0.000 0.271 228 R C -0.658 175.372 176.300 -0.449 0.000 1.403 228 R CA 0.720 56.476 56.100 -0.573 0.000 1.138 228 R CB -0.095 29.504 30.300 -1.168 0.000 1.142 228 R HN 0.416 nan 8.270 nan 0.000 0.559 229 T N -2.346 112.192 114.554 -0.026 0.000 2.906 229 T HA 0.119 4.468 4.350 -0.001 0.000 0.295 229 T C -0.083 174.885 174.700 0.446 0.000 1.061 229 T CA -0.926 61.293 62.100 0.198 0.000 1.000 229 T CB 1.728 70.560 68.868 -0.060 0.000 1.103 229 T HN 0.435 nan 8.240 nan 0.000 0.486 230 H N 2.085 121.379 119.070 0.372 0.000 3.140 230 H HA -0.062 4.493 4.556 -0.001 0.000 0.316 230 H C 1.086 176.463 175.328 0.081 0.000 0.986 230 H CA 0.631 56.776 56.048 0.162 0.000 1.397 230 H CB 0.312 30.191 29.762 0.196 0.000 1.377 230 H HN 0.925 nan 8.280 nan 0.000 0.585 231 Y N 2.371 122.787 120.300 0.193 0.000 2.315 231 Y HA -0.183 4.367 4.550 -0.001 0.000 0.288 231 Y C 2.180 178.247 175.900 0.278 0.000 1.154 231 Y CA 0.999 59.239 58.100 0.233 0.000 1.229 231 Y CB -0.653 37.883 38.460 0.126 0.000 0.980 231 Y HN 0.289 nan 8.280 nan 0.000 0.540 232 S N 0.234 115.967 115.700 0.056 0.000 2.406 232 S HA -0.104 4.366 4.470 -0.001 0.000 0.228 232 S C 2.061 176.574 174.600 -0.144 0.000 1.020 232 S CA 1.139 59.253 58.200 -0.144 0.000 0.965 232 S CB -0.495 62.352 63.200 -0.589 0.000 0.798 232 S HN 0.377 nan 8.310 nan 0.000 0.488 233 V N 1.890 121.787 119.914 -0.027 0.000 2.379 233 V HA -0.134 3.985 4.120 -0.001 0.000 0.245 233 V C 2.209 178.352 176.094 0.081 0.000 1.044 233 V CA 1.492 63.813 62.300 0.035 0.000 1.036 233 V CB -0.481 31.473 31.823 0.218 0.000 0.664 233 V HN 0.400 nan 8.190 nan 0.000 0.453 234 K N 0.192 120.681 120.400 0.149 0.000 2.032 234 K HA -0.244 4.075 4.320 -0.001 0.000 0.209 234 K C 2.287 179.032 176.600 0.242 0.000 1.048 234 K CA 1.775 58.170 56.287 0.181 0.000 0.927 234 K CB -0.232 32.433 32.500 0.274 0.000 0.712 234 K HN 0.335 nan 8.250 nan 0.000 0.441 235 K N 1.171 121.713 120.400 0.236 0.000 2.026 235 K HA -0.235 4.084 4.320 -0.001 0.000 0.208 235 K C 2.154 178.860 176.600 0.176 0.000 1.048 235 K CA 1.758 58.191 56.287 0.244 0.000 0.929 235 K CB 0.030 32.595 32.500 0.107 0.000 0.713 235 K HN -0.023 nan 8.250 nan 0.000 0.439 236 E N 0.911 121.133 120.200 0.037 0.000 2.031 236 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 236 E C 1.938 178.542 176.600 0.007 0.000 0.994 236 E CA 1.504 57.884 56.400 -0.032 0.000 0.800 236 E CB -0.219 29.413 29.700 -0.113 0.000 0.752 236 E HN 0.347 nan 8.360 nan 0.000 0.447 237 L N -0.213 121.027 121.223 0.027 0.000 2.093 237 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 237 L C 2.518 179.418 176.870 0.050 0.000 1.085 237 L CA 0.897 55.748 54.840 0.019 0.000 0.755 237 L CB -0.604 41.458 42.059 0.005 0.000 0.904 237 L HN 0.212 nan 8.230 nan 0.000 0.435 238 A N -0.074 122.827 122.820 0.135 0.000 1.902 238 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 238 A C 2.219 179.990 177.584 0.313 0.000 1.181 238 A CA 1.545 53.715 52.037 0.222 0.000 0.623 238 A CB -0.493 18.795 19.000 0.479 0.000 0.818 238 A HN 0.481 nan 8.150 nan 0.000 0.443 239 Q N -0.936 119.017 119.800 0.254 0.000 2.226 239 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 239 Q C 1.283 177.284 176.000 0.002 0.000 0.975 239 Q CA 1.213 57.019 55.803 0.005 0.000 0.866 239 Q CB -0.057 28.540 28.738 -0.235 0.000 0.915 239 Q HN 0.623 nan 8.270 nan 0.000 0.440 240 Q N -0.203 119.608 119.800 0.019 0.000 2.247 240 Q HA 0.153 4.492 4.340 -0.001 0.000 0.204 240 Q C -0.395 175.624 176.000 0.032 0.000 0.872 240 Q CA -0.071 55.737 55.803 0.008 0.000 0.951 240 Q CB 0.754 29.486 28.738 -0.009 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.928 121.451 120.500 0.039 0.000 3.333 241 R HA -0.200 4.139 4.340 -0.001 0.000 0.256 241 R C -0.219 176.111 176.300 0.050 0.000 1.010 241 R CA 0.480 56.591 56.100 0.018 0.000 0.680 241 R CB -1.873 28.461 30.300 0.057 0.000 1.102 241 R HN 0.400 nan 8.270 nan 0.000 0.440 242 Q N 0.059 119.883 119.800 0.039 0.000 2.165 242 Q HA 0.203 4.542 4.340 -0.001 0.000 0.245 242 Q C 1.251 177.346 176.000 0.157 0.000 0.841 242 Q CA -0.257 55.611 55.803 0.108 0.000 1.078 242 Q CB 0.568 29.338 28.738 0.053 0.000 1.169 242 Q HN 0.426 nan 8.270 nan 0.000 0.475 243 L N 0.143 121.378 121.223 0.021 0.000 2.395 243 L HA 0.025 4.365 4.340 -0.001 0.000 0.218 243 L C 0.381 177.214 176.870 -0.062 0.000 1.130 243 L CA 1.047 55.861 54.840 -0.044 0.000 0.826 243 L CB 0.292 42.130 42.059 -0.368 0.000 0.941 243 L HN 0.211 nan 8.230 nan 0.000 0.451 244 E N 0.130 120.342 120.200 0.019 0.000 2.176 244 E HA 0.504 4.854 4.350 -0.001 0.000 0.267 244 E C -1.243 175.244 176.600 -0.189 0.000 0.893 244 E CA -0.512 55.697 56.400 -0.317 0.000 0.761 244 E CB 1.573 31.269 29.700 -0.007 0.000 1.133 244 E HN -0.012 nan 8.360 nan 0.000 0.409 245 F N -0.329 119.369 119.950 -0.420 0.000 2.711 245 F HA 0.473 4.999 4.527 -0.001 0.000 0.313 245 F C -1.503 174.182 175.800 -0.192 0.000 1.141 245 F CA -1.400 56.491 58.000 -0.181 0.000 0.941 245 F CB 0.775 39.706 39.000 -0.115 0.000 1.349 245 F HN 0.163 nan 8.300 nan 0.000 0.464 246 L N 2.530 123.919 121.223 0.277 0.000 2.282 246 L HA 0.165 4.505 4.340 -0.001 0.000 0.287 246 L C -1.061 176.041 176.870 0.387 0.000 1.075 246 L CA -0.240 54.755 54.840 0.259 0.000 0.839 246 L CB 0.404 42.615 42.059 0.252 0.000 1.219 246 L HN 0.567 nan 8.230 nan 0.000 0.434 247 W N 6.730 128.156 121.300 0.209 0.000 2.481 247 W HA 0.268 4.927 4.660 -0.001 0.000 0.320 247 W C 0.389 176.935 176.519 0.043 0.000 1.209 247 W CA -1.130 56.339 57.345 0.206 0.000 1.400 247 W CB 0.300 29.924 29.460 0.273 0.000 1.361 247 W HN 0.499 nan 8.180 nan 0.000 0.456 248 R N 3.777 124.444 120.500 0.279 0.000 2.828 248 R HA 0.534 4.874 4.340 -0.001 0.000 0.264 248 R C -0.148 176.051 176.300 -0.169 0.000 1.022 248 R CA -0.923 55.171 56.100 -0.010 0.000 1.021 248 R CB 1.115 31.399 30.300 -0.026 0.000 1.163 248 R HN 0.218 nan 8.270 nan 0.000 0.494 249 Q N 1.540 121.083 119.800 -0.429 0.000 2.373 249 Q HA 0.064 4.404 4.340 -0.001 0.000 0.255 249 Q C 1.477 177.085 176.000 -0.653 0.000 0.980 249 Q CA 0.081 55.425 55.803 -0.765 0.000 0.882 249 Q CB 0.865 28.663 28.738 -1.568 0.000 1.249 249 Q HN 0.853 nan 8.270 nan 0.000 0.438 250 I N -1.862 118.437 120.570 -0.453 0.000 2.530 250 I HA -0.190 3.979 4.170 -0.001 0.000 0.257 250 I C 1.306 177.365 176.117 -0.096 0.000 1.179 250 I CA 1.482 62.669 61.300 -0.188 0.000 1.440 250 I CB -0.369 37.614 38.000 -0.028 0.000 1.087 250 I HN 0.688 nan 8.210 nan 0.000 0.440 251 W N 1.238 122.590 121.300 0.088 0.000 3.220 251 W HA 0.362 5.022 4.660 -0.001 0.000 0.328 251 W C 0.311 176.904 176.519 0.124 0.000 1.205 251 W CA -0.610 56.851 57.345 0.193 0.000 1.773 251 W CB -0.716 28.946 29.460 0.338 0.000 1.086 251 W HN -0.075 nan 8.180 nan 0.000 0.622 252 D N 2.214 122.369 120.400 -0.409 0.000 2.383 252 D HA -0.060 4.580 4.640 -0.001 0.000 0.245 252 D C 1.093 177.368 176.300 -0.042 0.000 1.263 252 D CA 0.357 54.243 54.000 -0.189 0.000 0.936 252 D CB -0.041 40.560 40.800 -0.331 0.000 1.053 252 D HN 0.283 nan 8.370 nan 0.000 0.507 253 N N 3.661 122.395 118.700 0.056 0.000 2.250 253 N HA -0.137 4.602 4.740 -0.001 0.000 0.181 253 N C 1.433 176.964 175.510 0.034 0.000 1.017 253 N CA 0.496 53.573 53.050 0.046 0.000 0.866 253 N CB 0.217 38.751 38.487 0.079 0.000 0.985 253 N HN 0.295 nan 8.380 nan 0.000 0.429 254 K N -0.274 120.152 120.400 0.043 0.000 2.116 254 K HA -0.015 4.304 4.320 -0.001 0.000 0.203 254 K C 0.780 177.396 176.600 0.027 0.000 1.052 254 K CA 1.166 57.475 56.287 0.037 0.000 0.952 254 K CB 0.045 32.572 32.500 0.045 0.000 0.729 254 K HN 0.301 nan 8.250 nan 0.000 0.446 255 G N 1.012 109.820 108.800 0.014 0.000 2.144 255 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 255 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 255 G C 0.130 175.037 174.900 0.012 0.000 0.988 255 G CA 0.344 45.450 45.100 0.009 0.000 0.659 255 G HN 0.389 nan 8.290 nan 0.000 0.522 256 D N 0.528 120.937 120.400 0.014 0.000 2.310 256 D HA -0.040 4.599 4.640 -0.001 0.000 0.212 256 D C 2.520 178.817 176.300 -0.005 0.000 0.965 256 D CA 1.716 55.724 54.000 0.012 0.000 0.879 256 D CB -0.107 40.707 40.800 0.023 0.000 0.921 256 D HN 0.678 nan 8.370 nan 0.000 0.510 257 T N -2.026 112.517 114.554 -0.020 0.000 3.100 257 T HA 0.321 4.671 4.350 -0.001 0.000 0.253 257 T C 1.008 175.680 174.700 -0.047 0.000 1.118 257 T CA -0.120 61.953 62.100 -0.046 0.000 1.058 257 T CB 0.103 68.932 68.868 -0.065 0.000 0.953 257 T HN 0.057 nan 8.240 nan 0.000 0.515 258 A N 1.504 124.318 122.820 -0.009 0.000 2.565 258 A HA 0.507 4.826 4.320 -0.001 0.000 0.237 258 A C -0.232 177.379 177.584 0.047 0.000 1.053 258 A CA -0.191 51.871 52.037 0.042 0.000 0.755 258 A CB -0.231 18.815 19.000 0.076 0.000 0.980 258 A HN 0.588 nan 8.150 nan 0.000 0.506 259 L N 2.940 124.213 121.223 0.085 0.000 2.438 259 L HA 0.561 4.900 4.340 -0.001 0.000 0.270 259 L C -0.690 176.247 176.870 0.112 0.000 0.972 259 L CA -0.565 54.318 54.840 0.073 0.000 0.831 259 L CB 1.467 43.536 42.059 0.017 0.000 1.273 259 L HN 0.659 nan 8.230 nan 0.000 0.405 260 F N 3.953 123.870 119.950 -0.055 0.000 2.578 260 F HA 0.394 4.920 4.527 -0.001 0.000 0.381 260 F C 0.038 175.725 175.800 -0.188 0.000 1.069 260 F CA 0.791 58.722 58.000 -0.114 0.000 1.231 260 F CB 0.415 39.360 39.000 -0.092 0.000 1.086 260 F HN 0.585 nan 8.300 nan 0.000 0.564 261 T N 5.463 119.461 114.554 -0.925 0.000 2.861 261 T HA 0.219 4.569 4.350 -0.001 0.000 0.287 261 T C -1.577 172.488 174.700 -1.059 0.000 1.003 261 T CA -0.480 61.136 62.100 -0.806 0.000 0.977 261 T CB 0.996 69.432 68.868 -0.719 0.000 0.996 261 T HN 0.613 nan 8.240 nan 0.000 0.448 262 H N 2.662 121.412 119.070 -0.534 0.000 2.551 262 H HA 0.627 5.182 4.556 -0.001 0.000 0.321 262 H C -0.520 174.614 175.328 -0.322 0.000 1.028 262 H CA -0.764 55.093 56.048 -0.318 0.000 1.215 262 H CB 0.770 30.575 29.762 0.073 0.000 1.414 262 H HN 0.481 nan 8.280 nan 0.000 0.480 263 M N 6.776 126.017 119.600 -0.598 0.000 2.180 263 M HA 0.307 4.786 4.480 -0.001 0.000 0.350 263 M C -0.947 175.094 176.300 -0.432 0.000 1.125 263 M CA -0.686 54.347 55.300 -0.444 0.000 1.031 263 M CB 0.802 33.196 32.600 -0.344 0.000 1.623 263 M HN 0.711 nan 8.290 nan 0.000 0.451 264 M N 7.045 126.483 119.600 -0.269 0.000 2.248 264 M HA 0.156 4.636 4.480 -0.001 0.000 0.337 264 M C -1.480 174.681 176.300 -0.233 0.000 1.121 264 M CA -0.995 54.191 55.300 -0.191 0.000 1.155 264 M CB 0.438 32.946 32.600 -0.154 0.000 1.514 264 M HN 0.481 nan 8.290 nan 0.000 0.452 265 P HA 0.049 nan 4.420 nan 0.000 0.239 265 P C -0.282 176.840 177.300 -0.296 0.000 1.188 265 P CA 0.983 63.795 63.100 -0.481 0.000 0.794 265 P CB 0.279 31.448 31.700 -0.885 0.000 0.937 266 F N -2.319 117.630 119.950 -0.000 0.000 2.525 266 F HA 0.275 4.801 4.527 -0.001 0.000 0.346 266 F C 2.237 178.125 175.800 0.146 0.000 1.072 266 F CA -1.355 56.688 58.000 0.072 0.000 1.033 266 F CB 0.058 39.047 39.000 -0.018 0.000 1.324 266 F HN -0.298 nan 8.300 nan 0.000 0.491 267 Y N 0.592 121.052 120.300 0.266 0.000 2.256 267 Y HA -0.078 4.472 4.550 -0.001 0.000 0.288 267 Y C 0.990 176.806 175.900 -0.139 0.000 1.155 267 Y CA 1.424 59.530 58.100 0.010 0.000 1.203 267 Y CB -0.078 38.282 38.460 -0.168 0.000 0.980 267 Y HN 0.364 nan 8.280 nan 0.000 0.530 268 S N -2.204 113.359 115.700 -0.229 0.000 2.638 268 S HA 0.271 4.740 4.470 -0.001 0.000 0.274 268 S C -0.377 174.157 174.600 -0.109 0.000 1.157 268 S CA -0.296 57.674 58.200 -0.383 0.000 0.826 268 S CB 0.267 63.155 63.200 -0.521 0.000 1.139 268 S HN 0.273 nan 8.310 nan 0.000 0.474 269 Y N 0.705 120.975 120.300 -0.049 0.000 2.457 269 Y HA 0.336 4.885 4.550 -0.001 0.000 0.263 269 Y C 0.360 176.353 175.900 0.154 0.000 1.164 269 Y CA -0.577 57.518 58.100 -0.008 0.000 1.274 269 Y CB -1.064 37.293 38.460 -0.172 0.000 1.097 269 Y HN 0.541 nan 8.280 nan 0.000 0.523 270 D N 0.720 121.157 120.400 0.061 0.000 2.371 270 D HA -0.017 4.623 4.640 -0.001 0.000 0.242 270 D C 1.278 177.721 176.300 0.240 0.000 1.218 270 D CA -0.396 53.726 54.000 0.204 0.000 0.945 270 D CB 0.866 41.744 40.800 0.131 0.000 1.137 270 D HN 0.249 nan 8.370 nan 0.000 0.464 271 I N -0.123 120.562 120.570 0.193 0.000 2.208 271 I HA -0.178 3.992 4.170 -0.001 0.000 0.245 271 I C -0.744 175.423 176.117 0.083 0.000 1.097 271 I CA 0.998 62.392 61.300 0.157 0.000 1.363 271 I CB -1.235 36.840 38.000 0.124 0.000 1.051 271 I HN 0.348 nan 8.210 nan 0.000 0.413 272 P HA -0.153 nan 4.420 nan 0.000 0.221 272 P C 0.860 177.871 177.300 -0.482 0.000 1.145 272 P CA 1.475 64.422 63.100 -0.255 0.000 0.795 272 P CB -0.058 31.517 31.700 -0.208 0.000 0.775 273 H N -2.338 116.741 119.070 0.015 0.000 2.486 273 H HA 0.278 4.833 4.556 -0.001 0.000 0.284 273 H C 0.744 176.190 175.328 0.198 0.000 1.103 273 H CA 0.721 56.792 56.048 0.038 0.000 1.089 273 H CB 0.095 29.941 29.762 0.139 0.000 1.603 273 H HN 0.213 nan 8.280 nan 0.000 0.557 274 T N -3.589 111.101 114.554 0.227 0.000 3.009 274 T HA -0.026 4.323 4.350 -0.001 0.000 0.267 274 T C 1.872 176.705 174.700 0.223 0.000 0.942 274 T CA 0.275 62.529 62.100 0.258 0.000 0.883 274 T CB -0.803 68.204 68.868 0.232 0.000 1.192 274 T HN 0.421 nan 8.240 nan 0.000 0.524 275 c N 1.486 120.192 118.600 0.177 0.000 2.512 275 c HA 0.732 5.302 4.570 -0.001 0.000 0.276 275 c C 1.301 175.514 174.090 0.205 0.000 1.368 275 c CA 0.516 56.980 56.329 0.224 0.000 1.755 275 c CB -0.911 41.684 42.510 0.141 0.000 2.008 275 c HN 0.840 nan 8.230 nan 0.000 0.511 276 G N -0.265 108.584 108.800 0.081 0.000 2.340 276 G HA2 0.426 4.386 3.960 -0.001 0.000 0.299 276 G HA3 0.426 4.386 3.960 -0.001 0.000 0.299 276 G C -2.637 171.937 174.900 -0.542 0.000 1.291 276 G CA 0.269 45.367 45.100 -0.005 0.000 0.841 276 G HN -0.106 nan 8.290 nan 0.000 0.500 277 P HA 0.059 nan 4.420 nan 0.000 0.226 277 P C -0.170 176.727 177.300 -0.672 0.000 1.153 277 P CA 1.055 63.508 63.100 -1.079 0.000 0.777 277 P CB 0.396 31.762 31.700 -0.557 0.000 0.794 278 D N 0.826 120.939 120.400 -0.477 0.000 2.454 278 D HA 0.143 4.782 4.640 -0.001 0.000 0.225 278 D C -1.410 174.549 176.300 -0.569 0.000 1.081 278 D CA -2.622 51.129 54.000 -0.415 0.000 0.864 278 D CB 1.332 41.973 40.800 -0.264 0.000 1.040 278 D HN 0.011 nan 8.370 nan 0.000 0.517 279 P HA -0.159 nan 4.420 nan 0.000 0.220 279 P C 1.232 177.713 177.300 -1.366 0.000 1.148 279 P CA 0.703 63.029 63.100 -1.290 0.000 0.803 279 P CB 0.562 31.179 31.700 -1.805 0.000 0.782 280 K N 0.164 119.908 120.400 -1.093 0.000 2.148 280 K HA -0.056 4.264 4.320 -0.001 0.000 0.204 280 K C 1.805 178.225 176.600 -0.299 0.000 1.050 280 K CA 0.983 56.929 56.287 -0.568 0.000 0.942 280 K CB -0.117 32.225 32.500 -0.264 0.000 0.724 280 K HN -0.040 nan 8.250 nan 0.000 0.446 281 V N 0.112 119.854 119.914 -0.286 0.000 2.426 281 V HA -0.210 3.910 4.120 -0.001 0.000 0.242 281 V C 2.347 178.423 176.094 -0.031 0.000 1.036 281 V CA 1.160 63.390 62.300 -0.117 0.000 1.044 281 V CB -0.216 31.556 31.823 -0.085 0.000 0.688 281 V HN 0.443 nan 8.190 nan 0.000 0.462 282 c N -0.578 117.934 118.600 -0.148 0.000 2.413 282 c HA -0.220 4.349 4.570 -0.001 0.000 0.277 282 c C 2.993 177.058 174.090 -0.043 0.000 1.265 282 c CA 0.983 57.282 56.329 -0.051 0.000 1.752 282 c CB -1.434 40.962 42.510 -0.190 0.000 1.998 282 c HN 0.761 nan 8.230 nan 0.000 0.489 283 c N 0.715 119.204 118.600 -0.185 0.000 2.410 283 c HA -0.147 4.422 4.570 -0.001 0.000 0.281 283 c C 2.614 176.601 174.090 -0.172 0.000 1.318 283 c CA 1.224 57.494 56.329 -0.098 0.000 1.776 283 c CB -1.474 41.064 42.510 0.048 0.000 1.942 283 c HN 0.639 nan 8.230 nan 0.000 0.508 284 Q N -1.379 118.262 119.800 -0.264 0.000 2.488 284 Q HA -0.025 4.314 4.340 -0.001 0.000 0.211 284 Q C 0.609 175.973 176.000 -1.060 0.000 0.967 284 Q CA 0.985 56.447 55.803 -0.568 0.000 0.926 284 Q CB -0.019 28.359 28.738 -0.601 0.000 0.992 284 Q HN 0.738 nan 8.270 nan 0.000 0.506 285 F N -0.251 119.420 119.950 -0.466 0.000 2.708 285 F HA 0.166 4.692 4.527 -0.001 0.000 0.300 285 F C 0.179 175.688 175.800 -0.486 0.000 1.118 285 F CA -0.549 57.070 58.000 -0.635 0.000 1.307 285 F CB 0.797 39.661 39.000 -0.226 0.000 0.986 285 F HN -0.151 nan 8.300 nan 0.000 0.522 286 D N 0.053 120.222 120.400 -0.386 0.000 2.479 286 D HA 0.139 4.778 4.640 -0.001 0.000 0.247 286 D C 0.490 176.610 176.300 -0.300 0.000 1.119 286 D CA -0.457 53.447 54.000 -0.159 0.000 0.922 286 D CB 0.020 40.776 40.800 -0.072 0.000 1.014 286 D HN 0.084 nan 8.370 nan 0.000 0.510 287 F N 1.621 121.571 119.950 -0.001 0.000 2.722 287 F HA 0.047 4.573 4.527 -0.001 0.000 0.298 287 F C 2.300 178.036 175.800 -0.107 0.000 1.175 287 F CA 0.389 58.360 58.000 -0.048 0.000 1.462 287 F CB 0.024 39.015 39.000 -0.014 0.000 1.111 287 F HN 0.248 nan 8.300 nan 0.000 0.592 288 K N 0.744 121.071 120.400 -0.121 0.000 2.404 288 K HA 0.103 4.422 4.320 -0.001 0.000 0.194 288 K C 0.909 177.440 176.600 -0.115 0.000 1.023 288 K CA 0.098 56.164 56.287 -0.367 0.000 1.094 288 K CB 0.190 32.331 32.500 -0.600 0.000 0.841 288 K HN 0.174 nan 8.250 nan 0.000 0.523 289 R N 0.372 120.848 120.500 -0.040 0.000 2.831 289 R HA 0.228 4.568 4.340 -0.001 0.000 0.337 289 R C 0.696 177.019 176.300 0.039 0.000 1.200 289 R CA -0.172 55.934 56.100 0.011 0.000 1.088 289 R CB 0.248 30.535 30.300 -0.021 0.000 1.397 289 R HN 0.186 nan 8.270 nan 0.000 0.581 290 M N -0.994 118.668 119.600 0.104 0.000 2.441 290 M HA 0.172 4.651 4.480 -0.001 0.000 0.244 290 M C 1.110 177.456 176.300 0.076 0.000 1.122 290 M CA 0.640 55.989 55.300 0.081 0.000 1.041 290 M CB 1.008 33.671 32.600 0.105 0.000 1.438 290 M HN 0.552 nan 8.290 nan 0.000 0.484 291 G N 0.011 108.874 108.800 0.105 0.000 3.753 291 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.196 291 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.196 291 G C 0.946 175.864 174.900 0.031 0.000 1.538 291 G CA 0.225 45.358 45.100 0.056 0.000 1.040 291 G HN 0.374 nan 8.290 nan 0.000 0.427 292 S N 0.482 116.166 115.700 -0.028 0.000 2.440 292 S HA 0.084 4.553 4.470 -0.001 0.000 0.238 292 S C 1.800 176.227 174.600 -0.288 0.000 1.010 292 S CA 1.816 59.901 58.200 -0.192 0.000 0.972 292 S CB -0.462 62.542 63.200 -0.327 0.000 0.774 292 S HN 0.429 nan 8.310 nan 0.000 0.501 293 F N 1.716 121.663 119.950 -0.004 0.000 2.765 293 F HA 0.420 4.946 4.527 -0.001 0.000 0.302 293 F C 1.931 177.729 175.800 -0.002 0.000 1.111 293 F CA 0.041 58.038 58.000 -0.005 0.000 1.359 293 F CB -0.097 38.897 39.000 -0.010 0.000 1.097 293 F HN 0.370 nan 8.300 nan 0.000 0.577 294 G N 1.119 109.994 108.800 0.125 0.000 2.143 294 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.248 294 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.248 294 G C -0.050 174.902 174.900 0.086 0.000 0.991 294 G CA 0.062 45.209 45.100 0.080 0.000 0.689 294 G HN 0.300 nan 8.290 nan 0.000 0.522 295 L N 0.211 121.500 121.223 0.110 0.000 2.319 295 L HA 0.863 5.203 4.340 -0.001 0.000 0.267 295 L C 0.557 177.460 176.870 0.055 0.000 1.011 295 L CA -0.321 54.565 54.840 0.076 0.000 0.818 295 L CB 2.286 44.386 42.059 0.069 0.000 1.316 295 L HN 0.487 nan 8.230 nan 0.000 0.432 296 S N -0.668 115.052 115.700 0.032 0.000 2.688 296 S HA 0.506 4.976 4.470 -0.001 0.000 0.275 296 S C -1.331 173.281 174.600 0.019 0.000 1.175 296 S CA -0.826 57.385 58.200 0.018 0.000 0.818 296 S CB 1.526 64.729 63.200 0.005 0.000 1.157 296 S HN 0.518 nan 8.310 nan 0.000 0.482 297 c N 3.164 121.779 118.600 0.025 0.000 2.255 297 c HA 0.557 5.126 4.570 -0.001 0.000 0.326 297 c C -0.814 173.266 174.090 -0.016 0.000 1.258 297 c CA -1.179 55.198 56.329 0.080 0.000 1.676 297 c CB 0.871 43.468 42.510 0.144 0.000 2.314 297 c HN 0.786 nan 8.230 nan 0.000 0.509 298 P HA -0.107 nan 4.420 nan 0.000 0.225 298 P C 1.034 178.080 177.300 -0.424 0.000 1.148 298 P CA 1.292 64.139 63.100 -0.421 0.000 0.779 298 P CB 0.096 31.373 31.700 -0.704 0.000 0.780 299 W N 0.838 122.116 121.300 -0.037 0.000 3.292 299 W HA 0.155 4.814 4.660 -0.001 0.000 0.263 299 W C 0.800 177.292 176.519 -0.045 0.000 1.318 299 W CA 0.196 57.515 57.345 -0.045 0.000 1.663 299 W CB -0.555 28.868 29.460 -0.061 0.000 1.114 299 W HN 0.173 nan 8.180 nan 0.000 0.706 300 K N -1.392 119.054 120.400 0.077 0.000 3.547 300 K HA -0.195 4.125 4.320 -0.001 0.000 0.309 300 K C -0.196 176.426 176.600 0.036 0.000 1.324 300 K CA 0.741 57.050 56.287 0.037 0.000 0.988 300 K CB -1.955 30.559 32.500 0.023 0.000 1.261 300 K HN -0.092 nan 8.250 nan 0.000 0.444 301 V N 2.240 122.188 119.914 0.058 0.000 2.350 301 V HA 0.291 4.411 4.120 -0.001 0.000 0.285 301 V C -1.772 174.308 176.094 -0.023 0.000 1.014 301 V CA -1.508 60.795 62.300 0.006 0.000 0.831 301 V CB 1.299 33.117 31.823 -0.008 0.000 1.000 301 V HN -0.020 nan 8.190 nan 0.000 0.433 302 P HA 0.375 nan 4.420 nan 0.000 0.276 302 P C -2.764 174.445 177.300 -0.151 0.000 1.244 302 P CA -1.871 61.186 63.100 -0.072 0.000 0.801 302 P CB 0.851 32.525 31.700 -0.045 0.000 1.006 303 P HA 0.287 nan 4.420 nan 0.000 0.274 303 P C -0.496 176.690 177.300 -0.189 0.000 1.231 303 P CA -0.110 62.775 63.100 -0.358 0.000 0.790 303 P CB 1.049 32.441 31.700 -0.513 0.000 0.951 304 R N 0.282 120.678 120.500 -0.173 0.000 2.534 304 R HA 0.379 4.718 4.340 -0.001 0.000 0.301 304 R C -0.138 176.220 176.300 0.097 0.000 0.961 304 R CA -0.602 55.476 56.100 -0.036 0.000 0.871 304 R CB 1.392 31.648 30.300 -0.074 0.000 1.170 304 R HN 0.386 nan 8.270 nan 0.000 0.446 305 T N 4.210 118.820 114.554 0.093 0.000 2.905 305 T HA 0.018 4.367 4.350 -0.001 0.000 0.299 305 T C 0.797 175.494 174.700 -0.005 0.000 1.024 305 T CA 0.164 62.297 62.100 0.054 0.000 1.151 305 T CB 0.132 69.007 68.868 0.011 0.000 0.987 305 T HN 0.203 nan 8.240 nan 0.000 0.535 306 I N 3.828 124.348 120.570 -0.084 0.000 2.529 306 I HA 0.264 4.433 4.170 -0.001 0.000 0.284 306 I C 0.981 177.049 176.117 -0.083 0.000 1.082 306 I CA 0.052 61.298 61.300 -0.089 0.000 1.406 306 I CB 0.329 38.235 38.000 -0.158 0.000 1.405 306 I HN 0.784 nan 8.210 nan 0.000 0.548 307 S N 3.220 118.881 115.700 -0.065 0.000 2.651 307 S HA 0.422 4.892 4.470 -0.001 0.000 0.279 307 S C 0.201 174.766 174.600 -0.059 0.000 1.148 307 S CA -0.766 57.402 58.200 -0.053 0.000 0.837 307 S CB 2.044 65.221 63.200 -0.038 0.000 1.138 307 S HN 0.481 nan 8.310 nan 0.000 0.478 308 D N 0.685 121.059 120.400 -0.043 0.000 2.218 308 D HA -0.102 4.538 4.640 -0.001 0.000 0.204 308 D C 1.740 178.009 176.300 -0.050 0.000 0.976 308 D CA 1.470 55.446 54.000 -0.041 0.000 0.853 308 D CB -0.125 40.668 40.800 -0.013 0.000 0.939 308 D HN 0.738 nan 8.370 nan 0.000 0.481 309 Q N 0.484 120.259 119.800 -0.041 0.000 2.187 309 Q HA -0.126 4.213 4.340 -0.001 0.000 0.199 309 Q C 0.963 176.936 176.000 -0.044 0.000 0.957 309 Q CA 1.303 57.085 55.803 -0.034 0.000 0.857 309 Q CB 0.158 28.882 28.738 -0.024 0.000 0.929 309 Q HN 0.287 nan 8.270 nan 0.000 0.453 310 N N -1.066 117.601 118.700 -0.055 0.000 2.171 310 N HA -0.055 4.684 4.740 -0.001 0.000 0.212 310 N C 1.281 176.744 175.510 -0.078 0.000 1.184 310 N CA 0.397 53.415 53.050 -0.052 0.000 0.888 310 N CB 0.019 38.483 38.487 -0.038 0.000 1.038 310 N HN 0.064 nan 8.380 nan 0.000 0.517 311 V N 0.524 120.355 119.914 -0.138 0.000 2.392 311 V HA -0.181 3.939 4.120 -0.001 0.000 0.249 311 V C 2.243 178.146 176.094 -0.318 0.000 1.059 311 V CA 2.183 64.350 62.300 -0.220 0.000 1.051 311 V CB -0.899 30.747 31.823 -0.295 0.000 0.658 311 V HN 0.467 nan 8.190 nan 0.000 0.455 312 A N -0.400 122.211 122.820 -0.347 0.000 1.898 312 A HA -0.015 4.305 4.320 -0.001 0.000 0.216 312 A C 2.399 180.047 177.584 0.108 0.000 1.181 312 A CA 2.075 54.057 52.037 -0.092 0.000 0.620 312 A CB -0.917 18.105 19.000 0.038 0.000 0.819 312 A HN 0.793 nan 8.150 nan 0.000 0.442 313 A N -0.600 122.244 122.820 0.041 0.000 1.929 313 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 313 A C 2.223 179.852 177.584 0.075 0.000 1.176 313 A CA 1.164 53.240 52.037 0.064 0.000 0.628 313 A CB -0.383 18.634 19.000 0.028 0.000 0.816 313 A HN 0.396 nan 8.150 nan 0.000 0.444 314 R N 0.156 120.693 120.500 0.061 0.000 2.081 314 R HA -0.048 4.291 4.340 -0.001 0.000 0.235 314 R C 2.382 178.734 176.300 0.087 0.000 1.131 314 R CA 1.559 57.746 56.100 0.145 0.000 0.960 314 R CB -0.984 29.401 30.300 0.140 0.000 0.856 314 R HN 0.518 nan 8.270 nan 0.000 0.436 315 S N 1.206 116.911 115.700 0.008 0.000 2.368 315 S HA -0.157 4.313 4.470 -0.001 0.000 0.225 315 S C 1.537 176.023 174.600 -0.190 0.000 1.030 315 S CA 1.520 59.628 58.200 -0.153 0.000 0.999 315 S CB -0.304 62.930 63.200 0.056 0.000 0.844 315 S HN 0.322 nan 8.310 nan 0.000 0.459 316 D N 1.222 121.700 120.400 0.130 0.000 2.123 316 D HA -0.064 4.575 4.640 -0.001 0.000 0.196 316 D C 1.834 178.151 176.300 0.028 0.000 0.992 316 D CA 0.921 55.056 54.000 0.224 0.000 0.833 316 D CB -0.192 40.767 40.800 0.266 0.000 0.954 316 D HN 0.261 nan 8.370 nan 0.000 0.455 317 L N -0.387 120.828 121.223 -0.013 0.000 2.027 317 L HA -0.127 4.213 4.340 -0.001 0.000 0.206 317 L C 2.336 179.048 176.870 -0.263 0.000 1.074 317 L CA 0.546 55.356 54.840 -0.049 0.000 0.745 317 L CB -0.345 41.757 42.059 0.072 0.000 0.898 317 L HN 0.204 nan 8.230 nan 0.000 0.433 318 L N -0.656 120.236 121.223 -0.552 0.000 1.994 318 L HA -0.163 4.177 4.340 -0.001 0.000 0.208 318 L C 2.383 178.598 176.870 -1.091 0.000 1.071 318 L CA 1.643 55.825 54.840 -1.097 0.000 0.745 318 L CB -0.468 40.632 42.059 -1.598 0.000 0.892 318 L HN -0.075 nan 8.230 nan 0.000 0.431 319 V N 0.089 119.459 119.914 -0.908 0.000 2.380 319 V HA -0.344 3.775 4.120 -0.001 0.000 0.251 319 V C 2.341 178.278 176.094 -0.262 0.000 1.063 319 V CA 2.037 63.970 62.300 -0.612 0.000 1.055 319 V CB -0.851 30.619 31.823 -0.589 0.000 0.657 319 V HN 0.618 nan 8.190 nan 0.000 0.455 320 D N -0.938 119.363 120.400 -0.164 0.000 2.144 320 D HA -0.196 4.443 4.640 -0.001 0.000 0.199 320 D C 2.237 178.517 176.300 -0.034 0.000 0.984 320 D CA 1.127 55.137 54.000 0.016 0.000 0.834 320 D CB -0.019 40.842 40.800 0.101 0.000 0.955 320 D HN 0.310 nan 8.370 nan 0.000 0.465 321 Q N -0.563 119.151 119.800 -0.144 0.000 2.079 321 Q HA -0.124 4.215 4.340 -0.001 0.000 0.200 321 Q C 2.123 178.143 176.000 0.034 0.000 0.974 321 Q CA 0.915 56.660 55.803 -0.098 0.000 0.840 321 Q CB -0.545 28.074 28.738 -0.198 0.000 0.898 321 Q HN 0.540 nan 8.270 nan 0.000 0.430 322 W N 1.570 122.767 121.300 -0.171 0.000 2.335 322 W HA -0.115 4.545 4.660 -0.001 0.000 0.311 322 W C 2.099 178.497 176.519 -0.201 0.000 1.213 322 W CA 0.807 58.046 57.345 -0.177 0.000 1.274 322 W CB -0.739 28.587 29.460 -0.224 0.000 1.148 322 W HN 0.208 nan 8.180 nan 0.000 0.498 323 K N 0.134 120.494 120.400 -0.067 0.000 2.147 323 K HA -0.150 4.169 4.320 -0.001 0.000 0.205 323 K C 1.938 178.370 176.600 -0.279 0.000 1.049 323 K CA 1.263 57.350 56.287 -0.333 0.000 0.936 323 K CB -0.217 31.791 32.500 -0.821 0.000 0.722 323 K HN 0.112 nan 8.250 nan 0.000 0.446 324 K N 0.834 121.162 120.400 -0.120 0.000 2.062 324 K HA -0.122 4.197 4.320 -0.001 0.000 0.205 324 K C 2.102 178.764 176.600 0.103 0.000 1.051 324 K CA 1.008 57.349 56.287 0.091 0.000 0.941 324 K CB 0.021 32.602 32.500 0.134 0.000 0.719 324 K HN 0.018 nan 8.250 nan 0.000 0.440 325 K N 0.985 121.448 120.400 0.105 0.000 2.057 325 K HA -0.111 4.209 4.320 -0.001 0.000 0.207 325 K C 2.048 178.757 176.600 0.182 0.000 1.049 325 K CA 1.202 57.575 56.287 0.143 0.000 0.931 325 K CB -0.090 32.507 32.500 0.161 0.000 0.714 325 K HN 0.113 nan 8.250 nan 0.000 0.440 326 A N 1.326 124.234 122.820 0.146 0.000 2.024 326 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 326 A C 1.710 179.458 177.584 0.275 0.000 1.164 326 A CA 1.425 53.585 52.037 0.205 0.000 0.643 326 A CB -0.339 18.733 19.000 0.119 0.000 0.806 326 A HN 0.330 nan 8.150 nan 0.000 0.451 327 E N -0.075 120.263 120.200 0.230 0.000 2.338 327 E HA -0.064 4.286 4.350 -0.001 0.000 0.197 327 E C 1.616 178.343 176.600 0.213 0.000 1.007 327 E CA 0.584 57.133 56.400 0.247 0.000 0.849 327 E CB -0.205 29.666 29.700 0.285 0.000 0.774 327 E HN 0.728 nan 8.360 nan 0.000 0.506 328 L N -0.477 120.832 121.223 0.143 0.000 2.554 328 L HA 0.035 4.375 4.340 -0.001 0.000 0.226 328 L C 0.328 176.987 176.870 -0.352 0.000 1.137 328 L CA 0.301 55.096 54.840 -0.074 0.000 0.863 328 L CB -0.115 41.793 42.059 -0.251 0.000 0.985 328 L HN -0.001 nan 8.230 nan 0.000 0.451 329 Y N -1.462 118.920 120.300 0.137 0.000 2.659 329 Y HA 0.380 4.930 4.550 -0.001 0.000 0.333 329 Y C 1.229 177.240 175.900 0.186 0.000 1.064 329 Y CA -0.995 57.207 58.100 0.169 0.000 1.141 329 Y CB 1.029 39.602 38.460 0.188 0.000 1.316 329 Y HN -0.277 nan 8.280 nan 0.000 0.509 330 R N -0.610 120.118 120.500 0.380 0.000 2.265 330 R HA 0.092 4.432 4.340 -0.001 0.000 0.194 330 R C 0.320 176.740 176.300 0.199 0.000 0.931 330 R CA 0.761 56.992 56.100 0.220 0.000 1.032 330 R CB 0.191 30.542 30.300 0.085 0.000 0.980 330 R HN 0.750 nan 8.270 nan 0.000 0.497 331 T N -0.707 114.012 114.554 0.275 0.000 2.922 331 T HA 0.107 4.457 4.350 -0.001 0.000 0.281 331 T C 0.673 175.515 174.700 0.237 0.000 1.005 331 T CA -0.927 61.303 62.100 0.217 0.000 0.982 331 T CB 1.209 70.189 68.868 0.188 0.000 1.158 331 T HN 0.083 nan 8.240 nan 0.000 0.566 332 N N -0.045 118.768 118.700 0.188 0.000 2.295 332 N HA 0.124 4.864 4.740 -0.001 0.000 0.221 332 N C -0.683 174.834 175.510 0.013 0.000 1.129 332 N CA -0.349 52.795 53.050 0.157 0.000 0.836 332 N CB -0.052 38.439 38.487 0.007 0.000 1.040 332 N HN 0.369 nan 8.380 nan 0.000 0.494 333 V N 1.494 121.440 119.914 0.054 0.000 2.409 333 V HA 0.397 4.516 4.120 -0.001 0.000 0.291 333 V C -0.573 175.612 176.094 0.151 0.000 1.020 333 V CA -0.958 61.374 62.300 0.053 0.000 0.848 333 V CB 1.473 33.307 31.823 0.019 0.000 0.990 333 V HN 0.178 nan 8.190 nan 0.000 0.430 334 L N 5.933 127.174 121.223 0.031 0.000 2.322 334 L HA 0.688 5.028 4.340 -0.001 0.000 0.281 334 L C -0.805 175.916 176.870 -0.248 0.000 1.014 334 L CA -0.450 54.325 54.840 -0.109 0.000 0.815 334 L CB 1.648 43.545 42.059 -0.270 0.000 1.247 334 L HN 0.632 nan 8.230 nan 0.000 0.421 335 L N 6.378 127.240 121.223 -0.602 0.000 2.275 335 L HA 0.572 4.911 4.340 -0.001 0.000 0.288 335 L C -1.056 175.517 176.870 -0.494 0.000 1.046 335 L CA 0.156 54.484 54.840 -0.853 0.000 0.805 335 L CB 0.797 41.851 42.059 -1.676 0.000 1.193 335 L HN 0.451 nan 8.230 nan 0.000 0.426 336 I N 7.209 127.579 120.570 -0.334 0.000 2.537 336 I HA 0.338 4.507 4.170 -0.001 0.000 0.276 336 I C -2.322 173.782 176.117 -0.022 0.000 1.063 336 I CA -1.880 59.322 61.300 -0.163 0.000 1.144 336 I CB 1.116 39.002 38.000 -0.190 0.000 1.252 336 I HN 0.436 nan 8.210 nan 0.000 0.480 337 P HA 0.166 nan 4.420 nan 0.000 0.269 337 P C -0.460 177.019 177.300 0.298 0.000 1.209 337 P CA -0.240 63.001 63.100 0.236 0.000 0.776 337 P CB 0.858 32.744 31.700 0.310 0.000 0.876 338 L N 2.859 124.284 121.223 0.337 0.000 2.454 338 L HA 0.757 5.096 4.340 -0.001 0.000 0.258 338 L C -0.158 176.724 176.870 0.021 0.000 1.025 338 L CA 0.362 55.313 54.840 0.184 0.000 0.901 338 L CB 0.430 42.543 42.059 0.090 0.000 1.210 338 L HN 0.601 nan 8.230 nan 0.000 0.457 339 G N 1.601 110.298 108.800 -0.173 0.000 2.430 339 G HA2 0.481 4.441 3.960 -0.001 0.000 0.300 339 G HA3 0.481 4.441 3.960 -0.001 0.000 0.300 339 G C -2.189 172.625 174.900 -0.144 0.000 1.330 339 G CA -0.278 44.498 45.100 -0.539 0.000 0.813 339 G HN 0.363 nan 8.290 nan 0.000 0.487 340 D N -1.663 118.727 120.400 -0.017 0.000 2.865 340 D HA 0.317 4.957 4.640 -0.001 0.000 0.343 340 D C -1.416 175.052 176.300 0.281 0.000 1.372 340 D CA -0.433 53.728 54.000 0.269 0.000 0.862 340 D CB 1.555 42.455 40.800 0.166 0.000 1.425 340 D HN 0.213 nan 8.370 nan 0.000 0.501 341 D N 0.396 121.016 120.400 0.367 0.000 2.450 341 D HA 0.173 4.813 4.640 -0.001 0.000 0.247 341 D C 0.175 176.670 176.300 0.325 0.000 1.162 341 D CA 0.540 54.749 54.000 0.349 0.000 0.879 341 D CB -0.333 40.770 40.800 0.506 0.000 1.163 341 D HN 0.324 nan 8.370 nan 0.000 0.472 342 F N 0.313 120.335 119.950 0.120 0.000 2.970 342 F HA -0.313 4.214 4.527 -0.001 0.000 0.251 342 F C 1.155 177.008 175.800 0.088 0.000 0.993 342 F CA 0.615 58.666 58.000 0.085 0.000 0.869 342 F CB -0.861 38.178 39.000 0.066 0.000 0.762 342 F HN 0.206 nan 8.300 nan 0.000 0.817 343 R N -0.392 120.207 120.500 0.166 0.000 2.580 343 R HA 0.498 4.837 4.340 -0.001 0.000 0.267 343 R C 0.663 176.985 176.300 0.037 0.000 1.125 343 R CA -0.878 55.203 56.100 -0.033 0.000 1.188 343 R CB -0.020 30.147 30.300 -0.222 0.000 1.155 343 R HN 0.246 nan 8.270 nan 0.000 0.586 344 F N -0.536 119.248 119.950 -0.277 0.000 3.040 344 F HA -0.284 4.242 4.527 -0.001 0.000 0.298 344 F C 1.361 177.115 175.800 -0.076 0.000 0.948 344 F CA 0.961 58.604 58.000 -0.596 0.000 1.022 344 F CB -0.862 37.475 39.000 -1.104 0.000 1.023 344 F HN 0.590 nan 8.300 nan 0.000 0.742 345 K N 0.142 120.611 120.400 0.116 0.000 2.121 345 K HA 0.079 4.398 4.320 -0.001 0.000 0.203 345 K C 0.689 177.457 176.600 0.280 0.000 1.041 345 K CA 0.717 57.150 56.287 0.244 0.000 0.969 345 K CB 0.241 32.853 32.500 0.187 0.000 0.799 345 K HN 0.455 nan 8.250 nan 0.000 0.456 346 Q N 1.028 120.962 119.800 0.224 0.000 2.259 346 Q HA 0.145 4.484 4.340 -0.001 0.000 0.246 346 Q C 0.403 176.614 176.000 0.351 0.000 0.920 346 Q CA -0.544 55.416 55.803 0.261 0.000 0.895 346 Q CB 1.238 30.144 28.738 0.281 0.000 1.220 346 Q HN 0.215 nan 8.270 nan 0.000 0.439 347 N N 0.849 119.752 118.700 0.338 0.000 2.104 347 N HA -0.168 4.572 4.740 -0.001 0.000 0.190 347 N C 1.711 177.402 175.510 0.301 0.000 1.024 347 N CA 2.091 55.389 53.050 0.413 0.000 0.853 347 N CB -0.345 38.379 38.487 0.395 0.000 1.008 347 N HN 0.748 nan 8.380 nan 0.000 0.424 348 T N -0.839 113.881 114.554 0.278 0.000 2.803 348 T HA -0.163 4.186 4.350 -0.001 0.000 0.269 348 T C 1.736 176.624 174.700 0.313 0.000 1.052 348 T CA 1.324 63.597 62.100 0.287 0.000 1.136 348 T CB -0.211 68.823 68.868 0.275 0.000 0.864 348 T HN 0.354 nan 8.240 nan 0.000 0.467 349 E N -0.214 120.127 120.200 0.236 0.000 2.072 349 E HA -0.109 4.240 4.350 -0.001 0.000 0.191 349 E C 1.871 178.385 176.600 -0.144 0.000 0.985 349 E CA 0.862 57.179 56.400 -0.140 0.000 0.801 349 E CB -0.276 29.192 29.700 -0.386 0.000 0.750 349 E HN 0.717 nan 8.360 nan 0.000 0.452 350 W N 1.777 122.984 121.300 -0.156 0.000 2.335 350 W HA -0.184 4.475 4.660 -0.001 0.000 0.311 350 W C 2.146 178.578 176.519 -0.144 0.000 1.213 350 W CA 1.272 58.484 57.345 -0.221 0.000 1.274 350 W CB -0.274 28.647 29.460 -0.899 0.000 1.148 350 W HN 0.181 nan 8.180 nan 0.000 0.498 351 D N -0.468 120.008 120.400 0.127 0.000 2.097 351 D HA -0.185 4.455 4.640 -0.001 0.000 0.195 351 D C 2.279 178.641 176.300 0.104 0.000 0.989 351 D CA 1.587 55.676 54.000 0.148 0.000 0.827 351 D CB -1.060 39.842 40.800 0.171 0.000 0.966 351 D HN 0.031 nan 8.370 nan 0.000 0.456 352 V N 1.002 120.972 119.914 0.094 0.000 2.490 352 V HA -0.220 3.900 4.120 -0.001 0.000 0.250 352 V C 2.210 178.323 176.094 0.032 0.000 1.061 352 V CA 1.631 63.968 62.300 0.061 0.000 1.064 352 V CB -0.076 31.826 31.823 0.131 0.000 0.670 352 V HN 0.158 nan 8.190 nan 0.000 0.461 353 Q N -0.434 119.422 119.800 0.092 0.000 2.062 353 Q HA -0.141 4.198 4.340 -0.001 0.000 0.196 353 Q C 2.342 178.527 176.000 0.307 0.000 0.967 353 Q CA 1.692 57.642 55.803 0.246 0.000 0.832 353 Q CB -0.413 28.433 28.738 0.181 0.000 0.899 353 Q HN 0.629 nan 8.270 nan 0.000 0.442 354 R N 0.586 121.219 120.500 0.223 0.000 2.070 354 R HA -0.101 4.238 4.340 -0.001 0.000 0.233 354 R C 2.255 178.699 176.300 0.240 0.000 1.137 354 R CA 1.346 57.610 56.100 0.273 0.000 0.945 354 R CB -0.132 30.279 30.300 0.184 0.000 0.845 354 R HN 0.041 nan 8.270 nan 0.000 0.430 355 V N 2.156 122.132 119.914 0.103 0.000 2.287 355 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 355 V C 2.071 178.096 176.094 -0.115 0.000 1.053 355 V CA 2.064 64.375 62.300 0.018 0.000 1.027 355 V CB -0.671 31.150 31.823 -0.004 0.000 0.646 355 V HN 0.459 nan 8.190 nan 0.000 0.447 356 N N -0.876 117.641 118.700 -0.304 0.000 2.166 356 N HA -0.175 4.565 4.740 -0.001 0.000 0.186 356 N C 1.835 177.025 175.510 -0.533 0.000 1.019 356 N CA 1.667 54.334 53.050 -0.638 0.000 0.856 356 N CB -0.312 37.182 38.487 -1.655 0.000 0.993 356 N HN 0.551 nan 8.380 nan 0.000 0.426 357 Y N 1.791 121.893 120.300 -0.331 0.000 2.314 357 Y HA -0.039 4.511 4.550 -0.001 0.000 0.293 357 Y C 2.317 177.712 175.900 -0.842 0.000 1.129 357 Y CA 0.870 58.659 58.100 -0.520 0.000 1.201 357 Y CB 0.025 38.286 38.460 -0.332 0.000 0.999 357 Y HN 0.124 nan 8.280 nan 0.000 0.541 358 E N -0.228 119.834 120.200 -0.230 0.000 2.110 358 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 358 E C 2.174 178.722 176.600 -0.086 0.000 0.988 358 E CA 0.914 57.256 56.400 -0.097 0.000 0.804 358 E CB -0.089 29.670 29.700 0.098 0.000 0.745 358 E HN 0.464 nan 8.360 nan 0.000 0.458 359 R N 0.342 120.768 120.500 -0.125 0.000 2.075 359 R HA -0.077 4.262 4.340 -0.001 0.000 0.232 359 R C 2.445 178.715 176.300 -0.051 0.000 1.126 359 R CA 0.859 56.915 56.100 -0.073 0.000 0.963 359 R CB -0.222 30.012 30.300 -0.110 0.000 0.858 359 R HN 0.158 nan 8.270 nan 0.000 0.435 360 L N -0.437 120.688 121.223 -0.162 0.000 2.056 360 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 360 L C 2.207 179.141 176.870 0.106 0.000 1.078 360 L CA 1.425 56.211 54.840 -0.090 0.000 0.749 360 L CB -0.411 41.504 42.059 -0.240 0.000 0.901 360 L HN 0.180 nan 8.230 nan 0.000 0.433 361 F N 0.034 119.993 119.950 0.014 0.000 2.102 361 F HA -0.250 4.277 4.527 -0.001 0.000 0.298 361 F C 2.723 178.524 175.800 0.001 0.000 1.105 361 F CA 0.982 58.975 58.000 -0.011 0.000 1.239 361 F CB -0.205 38.742 39.000 -0.087 0.000 0.991 361 F HN 0.161 nan 8.300 nan 0.000 0.474 362 E N -0.029 120.300 120.200 0.216 0.000 2.058 362 E HA -0.316 4.034 4.350 -0.001 0.000 0.194 362 E C 1.980 178.666 176.600 0.143 0.000 0.997 362 E CA 1.627 58.113 56.400 0.143 0.000 0.801 362 E CB -0.177 29.592 29.700 0.115 0.000 0.746 362 E HN 0.437 nan 8.360 nan 0.000 0.450 363 H N 0.394 119.512 119.070 0.080 0.000 2.276 363 H HA -0.066 4.490 4.556 -0.001 0.000 0.301 363 H C 2.083 177.494 175.328 0.139 0.000 1.073 363 H CA 2.252 58.360 56.048 0.099 0.000 1.311 363 H CB -0.305 29.513 29.762 0.093 0.000 1.379 363 H HN 0.142 nan 8.280 nan 0.000 0.494 364 I N 0.483 121.108 120.570 0.092 0.000 2.151 364 I HA -0.334 3.836 4.170 -0.001 0.000 0.243 364 I C 1.675 177.801 176.117 0.016 0.000 1.080 364 I CA 1.586 62.882 61.300 -0.006 0.000 1.339 364 I CB -0.386 37.551 38.000 -0.105 0.000 1.039 364 I HN 0.377 nan 8.210 nan 0.000 0.409 365 N N 0.452 119.158 118.700 0.009 0.000 2.453 365 N HA -0.106 4.634 4.740 -0.001 0.000 0.183 365 N C 1.751 177.241 175.510 -0.033 0.000 1.041 365 N CA 1.457 54.490 53.050 -0.028 0.000 0.900 365 N CB -0.259 38.203 38.487 -0.041 0.000 0.961 365 N HN 0.436 nan 8.380 nan 0.000 0.443 366 S N -1.094 114.583 115.700 -0.038 0.000 2.540 366 S HA 0.158 4.627 4.470 -0.001 0.000 0.218 366 S C 0.515 175.062 174.600 -0.089 0.000 0.977 366 S CA -0.244 57.927 58.200 -0.049 0.000 0.918 366 S CB 0.334 63.520 63.200 -0.022 0.000 0.806 366 S HN -0.045 nan 8.310 nan 0.000 0.496 367 Q N 1.435 121.154 119.800 -0.135 0.000 2.509 367 Q HA 0.547 4.887 4.340 -0.001 0.000 0.230 367 Q C 1.035 176.870 176.000 -0.274 0.000 1.089 367 Q CA 0.071 55.735 55.803 -0.232 0.000 0.901 367 Q CB 1.037 29.529 28.738 -0.410 0.000 1.208 367 Q HN 0.446 nan 8.270 nan 0.000 0.529 368 A N 2.398 125.133 122.820 -0.143 0.000 1.958 368 A HA -0.295 4.024 4.320 -0.001 0.000 0.221 368 A C 1.638 179.149 177.584 -0.121 0.000 1.178 368 A CA 2.380 54.358 52.037 -0.098 0.000 0.642 368 A CB -0.810 18.163 19.000 -0.044 0.000 0.816 368 A HN 0.890 nan 8.150 nan 0.000 0.453 369 H N -3.306 115.687 119.070 -0.129 0.000 2.518 369 H HA -0.044 4.512 4.556 -0.001 0.000 0.292 369 H C 1.525 176.795 175.328 -0.096 0.000 1.068 369 H CA 1.592 57.550 56.048 -0.150 0.000 1.275 369 H CB -0.713 28.897 29.762 -0.253 0.000 1.375 369 H HN 0.536 nan 8.280 nan 0.000 0.563 370 F N 0.687 120.344 119.950 -0.488 0.000 2.335 370 F HA -0.002 4.524 4.527 -0.001 0.000 0.296 370 F C 0.693 176.430 175.800 -0.105 0.000 1.091 370 F CA 0.186 58.030 58.000 -0.260 0.000 1.399 370 F CB 0.124 38.926 39.000 -0.329 0.000 1.067 370 F HN 0.129 nan 8.300 nan 0.000 0.520 371 N N 0.836 119.579 118.700 0.071 0.000 2.740 371 N HA -0.163 4.577 4.740 -0.001 0.000 0.248 371 N C -1.193 174.302 175.510 -0.026 0.000 1.062 371 N CA 0.396 53.470 53.050 0.040 0.000 0.704 371 N CB -1.509 37.048 38.487 0.117 0.000 0.968 371 N HN 0.021 nan 8.380 nan 0.000 0.547 372 V N 0.564 120.451 119.914 -0.045 0.000 2.789 372 V HA 0.432 4.551 4.120 -0.001 0.000 0.311 372 V C 0.032 176.035 176.094 -0.152 0.000 1.073 372 V CA -0.667 61.552 62.300 -0.135 0.000 0.921 372 V CB 2.534 34.297 31.823 -0.101 0.000 1.009 372 V HN 0.158 nan 8.190 nan 0.000 0.426 373 Q N 2.918 122.571 119.800 -0.245 0.000 2.347 373 Q HA 0.754 5.093 4.340 -0.001 0.000 0.265 373 Q C -0.821 174.911 176.000 -0.446 0.000 1.024 373 Q CA -0.121 55.512 55.803 -0.283 0.000 0.731 373 Q CB 1.551 30.129 28.738 -0.267 0.000 1.245 373 Q HN 1.014 nan 8.270 nan 0.000 0.472 374 A N 4.028 126.564 122.820 -0.473 0.000 2.340 374 A HA 0.944 5.264 4.320 -0.001 0.000 0.331 374 A C -1.103 175.778 177.584 -1.172 0.000 1.140 374 A CA -0.440 51.130 52.037 -0.778 0.000 0.801 374 A CB 1.213 19.886 19.000 -0.545 0.000 1.234 374 A HN 0.764 nan 8.150 nan 0.000 0.469 375 Q N 0.973 119.985 119.800 -1.313 0.000 2.756 375 Q HA 0.377 4.716 4.340 -0.001 0.000 0.295 375 Q C -1.662 173.944 176.000 -0.658 0.000 0.903 375 Q CA -0.598 54.496 55.803 -1.181 0.000 0.768 375 Q CB 0.541 28.953 28.738 -0.543 0.000 1.472 375 Q HN 0.485 nan 8.270 nan 0.000 0.416 376 F N 0.251 120.146 119.950 -0.092 0.000 2.471 376 F HA 0.642 5.168 4.527 -0.001 0.000 0.353 376 F C 1.247 177.098 175.800 0.084 0.000 1.113 376 F CA 1.073 59.126 58.000 0.088 0.000 1.262 376 F CB 1.338 40.438 39.000 0.167 0.000 1.146 376 F HN 0.755 nan 8.300 nan 0.000 0.578 377 G N 0.562 109.540 108.800 0.298 0.000 2.687 377 G HA2 0.579 4.538 3.960 -0.001 0.000 0.291 377 G HA3 0.579 4.538 3.960 -0.001 0.000 0.291 377 G C -1.226 173.672 174.900 -0.002 0.000 1.420 377 G CA -0.746 44.465 45.100 0.185 0.000 0.796 377 G HN 0.649 nan 8.290 nan 0.000 0.485 378 T N -1.882 112.593 114.554 -0.131 0.000 2.938 378 T HA 0.479 4.828 4.350 -0.001 0.000 0.285 378 T C 1.258 175.806 174.700 -0.254 0.000 1.028 378 T CA -0.486 61.502 62.100 -0.187 0.000 1.005 378 T CB 1.569 70.341 68.868 -0.159 0.000 1.157 378 T HN 0.567 nan 8.240 nan 0.000 0.550 379 L N 0.563 121.638 121.223 -0.246 0.000 2.046 379 L HA 0.012 4.352 4.340 -0.001 0.000 0.208 379 L C 2.742 179.568 176.870 -0.074 0.000 1.077 379 L CA 1.990 56.714 54.840 -0.193 0.000 0.747 379 L CB -1.134 40.863 42.059 -0.104 0.000 0.896 379 L HN 0.885 nan 8.230 nan 0.000 0.432 380 Q N -0.011 119.772 119.800 -0.028 0.000 2.124 380 Q HA -0.214 4.125 4.340 -0.001 0.000 0.202 380 Q C 2.043 177.977 176.000 -0.110 0.000 0.977 380 Q CA 1.971 57.790 55.803 0.026 0.000 0.850 380 Q CB -0.166 28.561 28.738 -0.018 0.000 0.901 380 Q HN 0.652 nan 8.270 nan 0.000 0.429 381 E N -1.167 118.875 120.200 -0.263 0.000 2.077 381 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 381 E C 1.724 177.876 176.600 -0.746 0.000 0.989 381 E CA 1.199 57.320 56.400 -0.464 0.000 0.800 381 E CB -0.364 29.004 29.700 -0.553 0.000 0.746 381 E HN 0.463 nan 8.360 nan 0.000 0.452 382 Y N 0.787 120.542 120.300 -0.909 0.000 2.097 382 Y HA -0.256 4.293 4.550 -0.001 0.000 0.282 382 Y C 1.890 177.482 175.900 -0.514 0.000 1.152 382 Y CA 1.624 59.206 58.100 -0.864 0.000 1.136 382 Y CB -0.654 37.331 38.460 -0.792 0.000 0.975 382 Y HN -0.052 nan 8.280 nan 0.000 0.498 383 F N 0.619 120.283 119.950 -0.476 0.000 2.171 383 F HA -0.250 4.276 4.527 -0.001 0.000 0.300 383 F C 2.240 177.814 175.800 -0.378 0.000 1.090 383 F CA 1.298 59.011 58.000 -0.478 0.000 1.293 383 F CB -0.323 38.596 39.000 -0.136 0.000 1.013 383 F HN 0.100 nan 8.300 nan 0.000 0.486 384 D N 0.337 120.686 120.400 -0.085 0.000 2.123 384 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 384 D C 2.296 178.525 176.300 -0.118 0.000 0.992 384 D CA 1.446 55.407 54.000 -0.065 0.000 0.833 384 D CB -0.588 40.161 40.800 -0.083 0.000 0.954 384 D HN 0.255 nan 8.370 nan 0.000 0.455 385 A N 0.558 123.253 122.820 -0.209 0.000 1.898 385 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 385 A C 2.556 180.025 177.584 -0.191 0.000 1.181 385 A CA 1.183 53.139 52.037 -0.134 0.000 0.620 385 A CB -0.770 18.225 19.000 -0.009 0.000 0.819 385 A HN 0.137 nan 8.150 nan 0.000 0.442 386 V N 0.001 119.668 119.914 -0.411 0.000 2.287 386 V HA -0.283 3.836 4.120 -0.001 0.000 0.248 386 V C 2.425 178.331 176.094 -0.313 0.000 1.053 386 V CA 2.203 64.248 62.300 -0.425 0.000 1.027 386 V CB -1.073 30.307 31.823 -0.739 0.000 0.646 386 V HN 0.659 nan 8.190 nan 0.000 0.447 387 H N -0.364 118.584 119.070 -0.203 0.000 2.491 387 H HA -0.077 4.479 4.556 -0.001 0.000 0.290 387 H C 2.403 177.694 175.328 -0.063 0.000 1.050 387 H CA 1.298 57.259 56.048 -0.145 0.000 1.309 387 H CB -0.020 29.617 29.762 -0.209 0.000 1.392 387 H HN 0.566 nan 8.280 nan 0.000 0.554 388 Q N 0.088 119.902 119.800 0.023 0.000 2.119 388 Q HA -0.012 4.327 4.340 -0.001 0.000 0.201 388 Q C 2.513 178.528 176.000 0.026 0.000 0.972 388 Q CA 1.067 56.882 55.803 0.020 0.000 0.847 388 Q CB 0.101 28.840 28.738 0.000 0.000 0.903 388 Q HN 0.391 nan 8.270 nan 0.000 0.433 389 A N 1.064 123.895 122.820 0.018 0.000 1.930 389 A HA -0.235 4.084 4.320 -0.001 0.000 0.217 389 A C 1.913 179.527 177.584 0.050 0.000 1.175 389 A CA 1.502 53.561 52.037 0.038 0.000 0.627 389 A CB -0.468 18.558 19.000 0.043 0.000 0.815 389 A HN 0.445 nan 8.150 nan 0.000 0.443 390 E N -0.063 120.184 120.200 0.078 0.000 2.051 390 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 390 E C 2.172 178.815 176.600 0.072 0.000 0.991 390 E CA 1.207 57.669 56.400 0.103 0.000 0.799 390 E CB -0.154 29.709 29.700 0.272 0.000 0.748 390 E HN 0.583 nan 8.360 nan 0.000 0.449 391 R N -0.195 120.348 120.500 0.071 0.000 2.148 391 R HA -0.029 4.310 4.340 -0.001 0.000 0.227 391 R C 2.202 178.521 176.300 0.032 0.000 1.103 391 R CA 0.860 56.987 56.100 0.046 0.000 0.983 391 R CB -0.150 30.172 30.300 0.036 0.000 0.874 391 R HN 0.171 nan 8.270 nan 0.000 0.451 392 A N 0.213 123.053 122.820 0.032 0.000 2.209 392 A HA 0.126 4.446 4.320 -0.001 0.000 0.212 392 A C 1.404 179.001 177.584 0.022 0.000 1.158 392 A CA 0.885 52.939 52.037 0.028 0.000 0.742 392 A CB -0.231 18.791 19.000 0.036 0.000 0.790 392 A HN 0.447 nan 8.150 nan 0.000 0.472 393 G N -0.390 108.421 108.800 0.018 0.000 2.147 393 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.244 393 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.244 393 G C 0.576 175.472 174.900 -0.006 0.000 1.005 393 G CA 0.636 45.738 45.100 0.004 0.000 0.713 393 G HN 1.024 nan 8.290 nan 0.000 0.515 394 Q N -1.031 118.770 119.800 0.002 0.000 2.319 394 Q HA 0.690 5.030 4.340 -0.001 0.000 0.202 394 Q C 0.729 176.705 176.000 -0.039 0.000 0.896 394 Q CA 0.881 56.687 55.803 0.005 0.000 0.942 394 Q CB 0.604 29.381 28.738 0.065 0.000 1.083 394 Q HN 1.652 nan 8.270 nan 0.000 0.510 395 A N 0.885 123.642 122.820 -0.105 0.000 2.594 395 A HA 0.572 4.891 4.320 -0.001 0.000 0.296 395 A C -1.837 175.524 177.584 -0.372 0.000 1.061 395 A CA -0.993 50.888 52.037 -0.260 0.000 0.689 395 A CB 1.508 20.291 19.000 -0.362 0.000 1.280 395 A HN 0.256 nan 8.150 nan 0.000 0.406 396 E N 0.687 120.649 120.200 -0.396 0.000 2.210 396 E HA 0.691 5.040 4.350 -0.001 0.000 0.266 396 E C -1.409 174.987 176.600 -0.339 0.000 0.883 396 E CA -0.291 55.951 56.400 -0.263 0.000 0.761 396 E CB 1.462 31.110 29.700 -0.086 0.000 1.156 396 E HN 0.404 nan 8.360 nan 0.000 0.412 397 F N 2.844 122.896 119.950 0.170 0.000 2.422 397 F HA 0.462 4.989 4.527 -0.000 0.000 0.333 397 F C -1.654 174.247 175.800 0.168 0.000 1.095 397 F CA -2.089 56.035 58.000 0.208 0.000 1.038 397 F CB 1.191 40.393 39.000 0.337 0.000 1.156 397 F HN 0.314 nan 8.300 nan 0.000 0.483 398 P HA 0.165 nan 4.420 nan 0.000 0.274 398 P C -0.686 176.754 177.300 0.233 0.000 1.237 398 P CA -0.381 62.850 63.100 0.218 0.000 0.793 398 P CB 1.101 32.899 31.700 0.164 0.000 0.977 399 T N -0.567 114.074 114.554 0.146 0.000 2.928 399 T HA 0.712 5.061 4.350 -0.001 0.000 0.284 399 T C -0.271 174.454 174.700 0.043 0.000 1.008 399 T CA -0.827 61.351 62.100 0.130 0.000 1.057 399 T CB 1.193 70.115 68.868 0.091 0.000 1.018 399 T HN 0.512 nan 8.240 nan 0.000 0.493 400 L N 1.321 122.564 121.223 0.034 0.000 2.506 400 L HA 0.698 5.038 4.340 -0.001 0.000 0.257 400 L C -1.024 175.836 176.870 -0.017 0.000 0.964 400 L CA -0.457 54.299 54.840 -0.140 0.000 0.836 400 L CB 2.162 43.889 42.059 -0.553 0.000 1.384 400 L HN 1.125 nan 8.230 nan 0.000 0.410 401 S N 2.313 117.961 115.700 -0.086 0.000 2.595 401 S HA 1.056 5.525 4.470 -0.001 0.000 0.281 401 S C -0.384 174.160 174.600 -0.095 0.000 1.117 401 S CA 0.014 58.226 58.200 0.019 0.000 0.873 401 S CB 2.076 65.240 63.200 -0.060 0.000 1.108 401 S HN 1.787 nan 8.310 nan 0.000 0.477 402 G N 1.233 110.033 108.800 -0.000 0.000 2.343 402 G HA2 0.326 4.285 3.960 -0.001 0.000 0.562 402 G HA3 0.326 4.285 3.960 -0.001 0.000 0.562 402 G C -1.784 173.038 174.900 -0.131 0.000 1.269 402 G CA -0.026 44.975 45.100 -0.166 0.000 1.011 402 G HN 1.280 nan 8.290 nan 0.000 0.498 403 D N -1.670 118.517 120.400 -0.355 0.000 2.687 403 D HA 0.743 5.382 4.640 -0.001 0.000 0.264 403 D C -0.677 175.147 176.300 -0.792 0.000 1.091 403 D CA -1.063 52.745 54.000 -0.319 0.000 1.123 403 D CB 1.139 41.902 40.800 -0.062 0.000 1.407 403 D HN 0.421 nan 8.370 nan 0.000 0.591 404 F N -0.367 119.448 119.950 -0.225 0.000 2.597 404 F HA 0.421 4.948 4.527 -0.001 0.000 0.336 404 F C -0.826 174.850 175.800 -0.208 0.000 1.432 404 F CA -0.642 57.245 58.000 -0.188 0.000 1.120 404 F CB 0.307 39.227 39.000 -0.132 0.000 1.253 404 F HN 0.010 nan 8.300 nan 0.000 0.546 405 F N -0.618 119.522 119.950 0.317 0.000 2.563 405 F HA 0.510 5.037 4.527 -0.001 0.000 0.316 405 F C 0.417 176.473 175.800 0.427 0.000 1.076 405 F CA -1.165 57.083 58.000 0.412 0.000 0.921 405 F CB 2.123 41.352 39.000 0.381 0.000 1.209 405 F HN -0.250 nan 8.300 nan 0.000 0.462 406 T N 1.911 116.836 114.554 0.618 0.000 2.799 406 T HA 0.153 4.503 4.350 -0.001 0.000 0.286 406 T C -0.890 174.265 174.700 0.759 0.000 0.973 406 T CA -0.282 62.248 62.100 0.716 0.000 1.035 406 T CB 0.388 69.546 68.868 0.484 0.000 0.932 406 T HN 0.370 nan 8.240 nan 0.000 0.469 407 Y N 2.795 123.420 120.300 0.541 0.000 2.480 407 Y HA 0.407 4.956 4.550 -0.001 0.000 0.338 407 Y C -0.163 175.759 175.900 0.038 0.000 1.220 407 Y CA -0.902 57.337 58.100 0.232 0.000 1.430 407 Y CB 0.215 38.701 38.460 0.045 0.000 1.311 407 Y HN 0.684 nan 8.280 nan 0.000 0.575 408 A N 5.203 127.486 122.820 -0.895 0.000 2.429 408 A HA 0.313 4.633 4.320 -0.001 0.000 0.289 408 A C -0.235 176.724 177.584 -1.043 0.000 1.043 408 A CA -0.241 51.183 52.037 -1.022 0.000 0.722 408 A CB 0.613 18.711 19.000 -1.503 0.000 1.243 408 A HN 0.805 nan 8.150 nan 0.000 0.415 409 D N 1.886 121.839 120.400 -0.744 0.000 2.333 409 D HA 0.051 4.690 4.640 -0.001 0.000 0.208 409 D C 0.532 176.869 176.300 0.062 0.000 0.984 409 D CA 0.581 54.400 54.000 -0.301 0.000 0.873 409 D CB 0.202 40.941 40.800 -0.102 0.000 0.935 409 D HN 0.761 nan 8.370 nan 0.000 0.521 410 R N -1.264 119.220 120.500 -0.027 0.000 2.687 410 R HA 0.317 4.656 4.340 -0.001 0.000 0.265 410 R C 0.190 176.421 176.300 -0.115 0.000 1.048 410 R CA -0.057 55.895 56.100 -0.246 0.000 0.884 410 R CB 0.552 30.764 30.300 -0.147 0.000 1.258 410 R HN -0.017 nan 8.270 nan 0.000 0.469 411 S N 1.092 116.672 115.700 -0.201 0.000 4.106 411 S HA -0.381 4.089 4.470 -0.001 0.000 0.541 411 S C 0.691 175.399 174.600 0.179 0.000 1.846 411 S CA 1.698 59.915 58.200 0.029 0.000 4.137 411 S CB -1.607 61.593 63.200 -0.001 0.000 0.892 411 S HN 1.068 nan 8.310 nan 0.000 0.535 412 D N 1.697 122.186 120.400 0.149 0.000 2.424 412 D HA 0.164 4.803 4.640 -0.001 0.000 0.220 412 D C -0.143 176.298 176.300 0.236 0.000 1.150 412 D CA -0.253 53.905 54.000 0.263 0.000 0.831 412 D CB -1.533 39.389 40.800 0.203 0.000 0.981 412 D HN 0.661 nan 8.370 nan 0.000 0.500 413 N N 0.964 119.707 118.700 0.072 0.000 2.671 413 N HA 0.033 4.773 4.740 -0.001 0.000 0.274 413 N C -0.939 174.619 175.510 0.080 0.000 1.188 413 N CA -0.239 52.847 53.050 0.060 0.000 1.065 413 N CB 0.075 38.575 38.487 0.021 0.000 1.415 413 N HN 0.135 nan 8.380 nan 0.000 0.511 414 Y N 0.291 120.678 120.300 0.146 0.000 2.313 414 Y HA 0.125 4.674 4.550 -0.001 0.000 0.332 414 Y C 0.089 176.187 175.900 0.329 0.000 1.071 414 Y CA -0.754 57.493 58.100 0.246 0.000 1.169 414 Y CB 0.547 39.099 38.460 0.154 0.000 1.192 414 Y HN 0.389 nan 8.280 nan 0.000 0.487 415 W N 2.409 123.824 121.300 0.193 0.000 1.694 415 W HA 0.214 4.874 4.660 -0.001 0.000 0.425 415 W C 0.815 177.349 176.519 0.026 0.000 0.615 415 W CA -0.595 56.892 57.345 0.237 0.000 2.237 415 W CB -0.683 29.025 29.460 0.413 0.000 1.478 415 W HN 0.540 nan 8.180 nan 0.000 0.427 416 S N -2.035 113.665 115.700 0.001 0.000 2.556 416 S HA 0.147 4.617 4.470 -0.001 0.000 0.216 416 S C 1.919 176.216 174.600 -0.504 0.000 0.970 416 S CA 0.278 58.083 58.200 -0.659 0.000 0.912 416 S CB 0.217 63.383 63.200 -0.058 0.000 0.790 416 S HN 0.340 nan 8.310 nan 0.000 0.504 417 G N 2.038 110.755 108.800 -0.139 0.000 2.402 417 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.216 417 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.216 417 G C 1.238 176.119 174.900 -0.032 0.000 1.162 417 G CA 0.813 45.852 45.100 -0.102 0.000 0.777 417 G HN 0.787 nan 8.290 nan 0.000 0.539 418 Y N -0.802 119.479 120.300 -0.033 0.000 2.680 418 Y HA 0.143 4.692 4.550 -0.001 0.000 0.303 418 Y C 1.916 177.955 175.900 0.232 0.000 1.166 418 Y CA 0.082 58.246 58.100 0.106 0.000 1.344 418 Y CB -0.540 38.076 38.460 0.260 0.000 1.002 418 Y HN 0.347 nan 8.280 nan 0.000 0.537 419 Y N 0.172 120.284 120.300 -0.313 0.000 2.571 419 Y HA -0.082 4.467 4.550 -0.001 0.000 0.294 419 Y C 1.464 177.315 175.900 -0.080 0.000 1.141 419 Y CA 0.584 58.505 58.100 -0.298 0.000 1.308 419 Y CB 0.256 38.581 38.460 -0.226 0.000 1.002 419 Y HN 0.269 nan 8.280 nan 0.000 0.551 420 T N -2.280 112.345 114.554 0.119 0.000 2.980 420 T HA 0.037 4.386 4.350 -0.001 0.000 0.252 420 T C 0.625 175.412 174.700 0.144 0.000 0.962 420 T CA -0.165 62.003 62.100 0.113 0.000 0.932 420 T CB 0.097 69.001 68.868 0.059 0.000 1.188 420 T HN -0.097 nan 8.240 nan 0.000 0.500 421 S N 2.569 118.351 115.700 0.136 0.000 2.599 421 S HA 0.120 4.589 4.470 -0.001 0.000 0.303 421 S C 0.424 175.158 174.600 0.223 0.000 1.267 421 S CA 0.093 58.385 58.200 0.154 0.000 1.055 421 S CB 0.024 63.300 63.200 0.126 0.000 0.790 421 S HN 0.411 nan 8.310 nan 0.000 0.500 422 R N 1.141 121.788 120.500 0.245 0.000 3.146 422 R HA -0.127 4.212 4.340 -0.001 0.000 0.250 422 R C -1.835 174.698 176.300 0.390 0.000 0.912 422 R CA 0.705 57.022 56.100 0.361 0.000 0.633 422 R CB -1.747 28.813 30.300 0.433 0.000 1.180 422 R HN 0.523 nan 8.270 nan 0.000 0.464 423 P HA -0.243 nan 4.420 nan 0.000 0.220 423 P C 1.118 178.612 177.300 0.323 0.000 1.148 423 P CA 1.082 64.389 63.100 0.346 0.000 0.803 423 P CB -0.023 31.927 31.700 0.417 0.000 0.782 424 Y N 1.555 121.924 120.300 0.115 0.000 2.128 424 Y HA -0.236 4.314 4.550 -0.001 0.000 0.284 424 Y C 2.662 178.546 175.900 -0.027 0.000 1.154 424 Y CA 1.899 59.991 58.100 -0.015 0.000 1.149 424 Y CB -0.873 37.440 38.460 -0.245 0.000 0.976 424 Y HN 0.058 nan 8.280 nan 0.000 0.505 425 H N -0.403 118.900 119.070 0.389 0.000 2.462 425 H HA -0.031 4.525 4.556 -0.001 0.000 0.292 425 H C 2.015 177.488 175.328 0.242 0.000 1.049 425 H CA 1.235 57.430 56.048 0.246 0.000 1.334 425 H CB -0.026 29.953 29.762 0.362 0.000 1.404 425 H HN 0.400 nan 8.280 nan 0.000 0.544 426 K N 0.670 121.280 120.400 0.350 0.000 2.097 426 K HA -0.137 4.182 4.320 -0.001 0.000 0.206 426 K C 2.422 179.079 176.600 0.094 0.000 1.049 426 K CA 0.940 57.378 56.287 0.253 0.000 0.933 426 K CB 0.149 32.775 32.500 0.210 0.000 0.717 426 K HN -0.016 nan 8.250 nan 0.000 0.442 427 R N 1.422 121.941 120.500 0.031 0.000 2.073 427 R HA 0.008 4.348 4.340 -0.001 0.000 0.229 427 R C 2.013 178.056 176.300 -0.428 0.000 1.120 427 R CA 1.384 57.429 56.100 -0.092 0.000 0.967 427 R CB -0.447 29.883 30.300 0.050 0.000 0.862 427 R HN 0.147 nan 8.270 nan 0.000 0.436 428 M N 0.308 119.526 119.600 -0.638 0.000 2.149 428 M HA -0.188 4.291 4.480 -0.001 0.000 0.261 428 M C 1.412 177.356 176.300 -0.593 0.000 1.064 428 M CA 2.415 57.071 55.300 -1.073 0.000 1.102 428 M CB -0.300 31.872 32.600 -0.714 0.000 1.369 428 M HN 0.291 nan 8.290 nan 0.000 0.408 429 D N -0.238 120.027 120.400 -0.226 0.000 2.104 429 D HA -0.210 4.429 4.640 -0.001 0.000 0.194 429 D C 1.899 178.120 176.300 -0.132 0.000 0.994 429 D CA 1.414 55.387 54.000 -0.044 0.000 0.830 429 D CB 0.111 41.036 40.800 0.208 0.000 0.959 429 D HN 0.230 nan 8.370 nan 0.000 0.452 430 R N 0.088 120.494 120.500 -0.158 0.000 2.115 430 R HA -0.023 4.316 4.340 -0.001 0.000 0.230 430 R C 2.406 178.597 176.300 -0.181 0.000 1.111 430 R CA 0.446 56.459 56.100 -0.145 0.000 0.976 430 R CB -0.924 29.309 30.300 -0.111 0.000 0.870 430 R HN 0.269 nan 8.270 nan 0.000 0.445 431 V N 1.426 121.136 119.914 -0.340 0.000 2.307 431 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 431 V C 2.350 178.282 176.094 -0.271 0.000 1.045 431 V CA 1.408 63.492 62.300 -0.359 0.000 1.024 431 V CB -0.551 30.759 31.823 -0.855 0.000 0.651 431 V HN 0.132 nan 8.190 nan 0.000 0.449 432 L N -0.239 120.748 121.223 -0.392 0.000 2.083 432 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 432 L C 2.315 179.123 176.870 -0.104 0.000 1.083 432 L CA 2.083 56.759 54.840 -0.274 0.000 0.752 432 L CB -0.708 41.188 42.059 -0.272 0.000 0.899 432 L HN 0.359 nan 8.230 nan 0.000 0.433 433 M N -1.525 118.011 119.600 -0.107 0.000 2.082 433 M HA -0.304 4.175 4.480 -0.001 0.000 0.258 433 M C 2.426 178.693 176.300 -0.055 0.000 1.069 433 M CA 2.275 57.515 55.300 -0.100 0.000 1.102 433 M CB -0.647 31.862 32.600 -0.151 0.000 1.336 433 M HN 0.522 nan 8.290 nan 0.000 0.404 434 H N -0.889 118.144 119.070 -0.061 0.000 2.363 434 H HA -0.167 4.389 4.556 -0.001 0.000 0.301 434 H C 1.696 177.069 175.328 0.075 0.000 1.074 434 H CA 2.029 58.072 56.048 -0.007 0.000 1.354 434 H CB -0.255 29.512 29.762 0.009 0.000 1.397 434 H HN 0.463 nan 8.280 nan 0.000 0.516 435 Y N 0.565 120.730 120.300 -0.226 0.000 2.224 435 Y HA -0.184 4.366 4.550 -0.001 0.000 0.289 435 Y C 2.949 178.726 175.900 -0.206 0.000 1.146 435 Y CA 1.154 59.120 58.100 -0.223 0.000 1.182 435 Y CB -0.557 37.830 38.460 -0.121 0.000 0.983 435 Y HN 0.022 nan 8.280 nan 0.000 0.524 436 V N 0.125 120.032 119.914 -0.012 0.000 2.295 436 V HA -0.311 3.809 4.120 -0.001 0.000 0.246 436 V C 2.516 178.551 176.094 -0.099 0.000 1.049 436 V CA 2.201 64.465 62.300 -0.061 0.000 1.024 436 V CB -0.597 31.182 31.823 -0.074 0.000 0.648 436 V HN 0.318 nan 8.190 nan 0.000 0.447 437 R N 0.439 120.861 120.500 -0.130 0.000 2.083 437 R HA -0.174 4.165 4.340 -0.001 0.000 0.237 437 R C 2.245 178.482 176.300 -0.106 0.000 1.137 437 R CA 1.873 57.904 56.100 -0.115 0.000 0.951 437 R CB -0.496 29.737 30.300 -0.111 0.000 0.851 437 R HN 0.456 nan 8.270 nan 0.000 0.434 438 A N 0.684 123.380 122.820 -0.207 0.000 1.902 438 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 438 A C 2.373 179.901 177.584 -0.094 0.000 1.181 438 A CA 1.598 53.567 52.037 -0.115 0.000 0.623 438 A CB -0.734 18.107 19.000 -0.266 0.000 0.818 438 A HN 0.577 nan 8.150 nan 0.000 0.443 439 A N -0.177 122.578 122.820 -0.108 0.000 1.873 439 A HA -0.145 4.175 4.320 -0.001 0.000 0.215 439 A C 1.943 179.476 177.584 -0.084 0.000 1.186 439 A CA 1.523 53.509 52.037 -0.085 0.000 0.616 439 A CB -0.514 18.444 19.000 -0.069 0.000 0.823 439 A HN 0.607 nan 8.150 nan 0.000 0.442 440 E N -0.951 119.198 120.200 -0.084 0.000 2.077 440 E HA -0.204 4.146 4.350 -0.001 0.000 0.193 440 E C 2.062 178.602 176.600 -0.099 0.000 0.989 440 E CA 1.373 57.718 56.400 -0.092 0.000 0.800 440 E CB -0.257 29.391 29.700 -0.087 0.000 0.746 440 E HN 0.744 nan 8.360 nan 0.000 0.452 441 M N 0.695 120.257 119.600 -0.064 0.000 2.123 441 M HA -0.134 4.346 4.480 -0.001 0.000 0.263 441 M C 2.158 178.459 176.300 0.002 0.000 1.069 441 M CA 1.292 56.556 55.300 -0.060 0.000 1.133 441 M CB 0.057 32.712 32.600 0.090 0.000 1.356 441 M HN 0.075 nan 8.290 nan 0.000 0.415 442 L N 0.095 121.370 121.223 0.087 0.000 2.083 442 L HA -0.183 4.156 4.340 -0.001 0.000 0.209 442 L C 2.566 179.602 176.870 0.276 0.000 1.083 442 L CA 1.662 56.618 54.840 0.195 0.000 0.752 442 L CB -0.491 41.522 42.059 -0.077 0.000 0.899 442 L HN 0.509 nan 8.230 nan 0.000 0.433 443 S N -1.128 114.646 115.700 0.124 0.000 2.528 443 S HA 0.094 4.564 4.470 -0.001 0.000 0.219 443 S C 1.924 176.698 174.600 0.290 0.000 0.985 443 S CA 0.349 58.687 58.200 0.229 0.000 0.914 443 S CB 0.106 63.235 63.200 -0.119 0.000 0.776 443 S HN 0.287 nan 8.310 nan 0.000 0.526 444 A N 0.894 123.715 122.820 0.002 0.000 2.066 444 A HA 0.128 4.448 4.320 -0.001 0.000 0.218 444 A C 1.675 179.154 177.584 -0.176 0.000 1.157 444 A CA 0.633 52.571 52.037 -0.165 0.000 0.670 444 A CB -1.126 17.628 19.000 -0.410 0.000 0.804 444 A HN 0.747 nan 8.150 nan 0.000 0.453 445 W N -0.532 120.804 121.300 0.060 0.000 2.374 445 W HA -0.037 4.622 4.660 -0.001 0.000 0.288 445 W C 0.939 177.278 176.519 -0.299 0.000 1.218 445 W CA 1.052 58.341 57.345 -0.093 0.000 1.245 445 W CB -0.204 29.184 29.460 -0.120 0.000 1.126 445 W HN 0.387 nan 8.180 nan 0.000 0.545 446 H N -2.222 116.926 119.070 0.130 0.000 2.710 446 H HA 0.387 4.942 4.556 -0.001 0.000 0.361 446 H C -0.445 174.795 175.328 -0.146 0.000 1.175 446 H CA -0.920 55.038 56.048 -0.150 0.000 1.206 446 H CB 1.729 31.151 29.762 -0.566 0.000 1.750 446 H HN -0.430 nan 8.280 nan 0.000 0.553 447 S N 0.928 116.585 115.700 -0.072 0.000 2.480 447 S HA 0.331 4.800 4.470 -0.001 0.000 0.286 447 S C -1.386 173.138 174.600 -0.128 0.000 1.180 447 S CA -0.697 57.501 58.200 -0.004 0.000 1.075 447 S CB 0.158 63.356 63.200 -0.004 0.000 0.996 447 S HN 0.409 nan 8.310 nan 0.000 0.487 448 W N 2.475 123.781 121.300 0.011 0.000 2.627 448 W HA 0.384 5.044 4.660 -0.001 0.000 0.339 448 W C 0.257 176.740 176.519 -0.059 0.000 1.058 448 W CA -0.789 56.538 57.345 -0.030 0.000 1.223 448 W CB 0.606 30.014 29.460 -0.087 0.000 1.389 448 W HN 0.571 nan 8.180 nan 0.000 0.541 449 D N 0.953 121.441 120.400 0.147 0.000 2.414 449 D HA 0.023 4.662 4.640 -0.001 0.000 0.242 449 D C 1.446 177.750 176.300 0.008 0.000 1.129 449 D CA 0.673 54.719 54.000 0.076 0.000 0.885 449 D CB 1.733 42.607 40.800 0.122 0.000 1.198 449 D HN 0.664 nan 8.370 nan 0.000 0.437 450 G N 3.306 112.119 108.800 0.021 0.000 2.485 450 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.221 450 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.221 450 G C 1.593 176.470 174.900 -0.038 0.000 1.115 450 G CA 0.526 45.624 45.100 -0.002 0.000 0.751 450 G HN 0.576 nan 8.290 nan 0.000 0.567 451 M N 0.705 120.294 119.600 -0.019 0.000 2.460 451 M HA 0.054 4.533 4.480 -0.001 0.000 0.263 451 M C 2.817 179.027 176.300 -0.149 0.000 1.071 451 M CA 0.974 56.287 55.300 0.020 0.000 1.096 451 M CB -0.049 32.670 32.600 0.199 0.000 1.408 451 M HN 0.304 nan 8.290 nan 0.000 0.463 452 A N 0.261 122.732 122.820 -0.581 0.000 2.168 452 A HA -0.040 4.279 4.320 -0.001 0.000 0.215 452 A C 1.172 178.542 177.584 -0.357 0.000 1.152 452 A CA 0.431 51.892 52.037 -0.960 0.000 0.716 452 A CB -0.392 17.957 19.000 -1.086 0.000 0.794 452 A HN 0.572 nan 8.150 nan 0.000 0.465 453 R N -1.665 118.710 120.500 -0.208 0.000 3.627 453 R HA -0.188 4.152 4.340 -0.001 0.000 0.281 453 R C 0.643 176.840 176.300 -0.171 0.000 1.140 453 R CA 0.717 56.740 56.100 -0.127 0.000 0.761 453 R CB -2.066 28.195 30.300 -0.065 0.000 1.181 453 R HN 0.478 nan 8.270 nan 0.000 0.472 454 I N 0.526 120.945 120.570 -0.251 0.000 2.163 454 I HA -0.183 3.987 4.170 -0.001 0.000 0.240 454 I C 2.156 178.153 176.117 -0.200 0.000 1.081 454 I CA 1.646 62.749 61.300 -0.328 0.000 1.353 454 I CB -0.724 36.940 38.000 -0.560 0.000 1.054 454 I HN 0.188 nan 8.210 nan 0.000 0.407 455 E N 0.746 120.867 120.200 -0.132 0.000 2.118 455 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 455 E C 2.092 178.650 176.600 -0.071 0.000 0.992 455 E CA 1.236 57.587 56.400 -0.082 0.000 0.804 455 E CB -0.230 29.445 29.700 -0.040 0.000 0.741 455 E HN 0.454 nan 8.360 nan 0.000 0.458 456 E N 0.323 120.483 120.200 -0.067 0.000 2.038 456 E HA -0.260 4.090 4.350 -0.001 0.000 0.195 456 E C 1.969 178.534 176.600 -0.060 0.000 1.000 456 E CA 1.139 57.509 56.400 -0.050 0.000 0.803 456 E CB 0.091 29.766 29.700 -0.042 0.000 0.750 456 E HN -0.030 nan 8.360 nan 0.000 0.448 457 R N 0.328 120.782 120.500 -0.077 0.000 2.096 457 R HA -0.043 4.297 4.340 -0.001 0.000 0.235 457 R C 2.375 178.628 176.300 -0.079 0.000 1.127 457 R CA 0.917 56.973 56.100 -0.073 0.000 0.968 457 R CB -0.566 29.684 30.300 -0.083 0.000 0.861 457 R HN 0.292 nan 8.270 nan 0.000 0.440 458 L N -0.158 121.008 121.223 -0.096 0.000 2.093 458 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 458 L C 2.355 179.168 176.870 -0.094 0.000 1.085 458 L CA 1.394 56.177 54.840 -0.095 0.000 0.755 458 L CB -0.411 41.585 42.059 -0.106 0.000 0.904 458 L HN 0.302 nan 8.230 nan 0.000 0.435 459 E N 0.137 120.285 120.200 -0.086 0.000 2.072 459 E HA -0.292 4.057 4.350 -0.001 0.000 0.191 459 E C 2.220 178.750 176.600 -0.117 0.000 0.985 459 E CA 1.215 57.556 56.400 -0.098 0.000 0.801 459 E CB 0.017 29.681 29.700 -0.061 0.000 0.750 459 E HN 0.412 nan 8.360 nan 0.000 0.452 460 Q N 0.042 119.793 119.800 -0.083 0.000 2.061 460 Q HA -0.222 4.118 4.340 -0.001 0.000 0.204 460 Q C 2.102 178.052 176.000 -0.083 0.000 0.984 460 Q CA 1.664 57.424 55.803 -0.071 0.000 0.846 460 Q CB -0.234 28.477 28.738 -0.044 0.000 0.902 460 Q HN 0.348 nan 8.270 nan 0.000 0.421 461 A N 1.169 123.941 122.820 -0.080 0.000 1.883 461 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 461 A C 2.102 179.623 177.584 -0.105 0.000 1.186 461 A CA 1.604 53.594 52.037 -0.078 0.000 0.624 461 A CB -0.578 18.383 19.000 -0.064 0.000 0.822 461 A HN 0.386 nan 8.150 nan 0.000 0.444 462 R N -0.824 119.595 120.500 -0.135 0.000 2.081 462 R HA -0.106 4.234 4.340 -0.001 0.000 0.235 462 R C 2.469 178.613 176.300 -0.261 0.000 1.131 462 R CA 1.616 57.610 56.100 -0.177 0.000 0.960 462 R CB -0.303 29.883 30.300 -0.190 0.000 0.856 462 R HN 0.507 nan 8.270 nan 0.000 0.436 463 R N 0.301 120.608 120.500 -0.322 0.000 2.092 463 R HA -0.074 4.266 4.340 -0.001 0.000 0.231 463 R C 2.072 178.295 176.300 -0.128 0.000 1.119 463 R CA 0.931 56.764 56.100 -0.445 0.000 0.970 463 R CB -0.017 30.041 30.300 -0.405 0.000 0.864 463 R HN 0.210 nan 8.270 nan 0.000 0.440 464 E N 0.803 120.966 120.200 -0.061 0.000 2.107 464 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 464 E C 1.978 178.601 176.600 0.037 0.000 0.982 464 E CA 0.718 57.127 56.400 0.015 0.000 0.809 464 E CB -0.164 29.533 29.700 -0.005 0.000 0.756 464 E HN 0.156 nan 8.360 nan 0.000 0.459 465 L N 1.086 122.301 121.223 -0.014 0.000 2.072 465 L HA -0.046 4.293 4.340 -0.001 0.000 0.205 465 L C 2.142 179.049 176.870 0.061 0.000 1.079 465 L CA 1.543 56.393 54.840 0.016 0.000 0.752 465 L CB -0.518 41.517 42.059 -0.039 0.000 0.906 465 L HN -0.113 nan 8.230 nan 0.000 0.436 466 S N -0.361 115.341 115.700 0.003 0.000 2.368 466 S HA -0.166 4.304 4.470 -0.001 0.000 0.225 466 S C 1.837 176.573 174.600 0.227 0.000 1.030 466 S CA 1.520 59.754 58.200 0.057 0.000 0.999 466 S CB -0.557 62.570 63.200 -0.122 0.000 0.844 466 S HN 0.454 nan 8.310 nan 0.000 0.459 467 L N 0.734 122.132 121.223 0.291 0.000 2.042 467 L HA -0.020 4.320 4.340 -0.001 0.000 0.210 467 L C 1.876 178.839 176.870 0.155 0.000 1.076 467 L CA 1.639 56.645 54.840 0.278 0.000 0.749 467 L CB -0.645 41.549 42.059 0.224 0.000 0.893 467 L HN 0.289 nan 8.230 nan 0.000 0.432 468 F N -0.217 119.687 119.950 -0.078 0.000 2.494 468 F HA -0.143 4.383 4.527 -0.001 0.000 0.298 468 F C 2.158 177.867 175.800 -0.153 0.000 1.106 468 F CA 0.890 58.730 58.000 -0.265 0.000 1.452 468 F CB -0.255 38.628 39.000 -0.195 0.000 1.085 468 F HN 0.265 nan 8.300 nan 0.000 0.569 469 Q N -0.390 119.367 119.800 -0.071 0.000 2.488 469 Q HA -0.133 4.207 4.340 -0.001 0.000 0.211 469 Q C 0.752 176.692 176.000 -0.100 0.000 0.967 469 Q CA 0.382 56.122 55.803 -0.106 0.000 0.926 469 Q CB -1.197 27.550 28.738 0.015 0.000 0.992 469 Q HN 0.566 nan 8.270 nan 0.000 0.506 470 H N 1.774 120.727 119.070 -0.194 0.000 2.998 470 H HA -0.091 4.464 4.556 -0.001 0.000 0.353 470 H C 1.001 176.184 175.328 -0.242 0.000 1.099 470 H CA 0.328 56.261 56.048 -0.192 0.000 1.393 470 H CB 0.702 30.359 29.762 -0.175 0.000 1.343 470 H HN 0.322 nan 8.280 nan 0.000 0.609 471 H N 2.632 121.288 119.070 -0.691 0.000 2.568 471 H HA -0.026 4.529 4.556 -0.001 0.000 0.275 471 H C -0.276 174.650 175.328 -0.670 0.000 1.028 471 H CA 0.367 55.984 56.048 -0.717 0.000 1.173 471 H CB 0.230 29.569 29.762 -0.706 0.000 1.335 471 H HN 0.579 nan 8.280 nan 0.000 0.614 472 D N 0.026 119.843 120.400 -0.971 0.000 2.527 472 D HA 0.130 4.769 4.640 -0.001 0.000 0.224 472 D C 1.637 177.947 176.300 0.017 0.000 1.217 472 D CA 0.315 54.195 54.000 -0.200 0.000 0.819 472 D CB 0.861 41.715 40.800 0.089 0.000 1.061 472 D HN 0.507 nan 8.370 nan 0.000 0.515 473 G N 1.183 109.787 108.800 -0.327 0.000 2.600 473 G HA2 0.005 3.964 3.960 -0.001 0.000 0.225 473 G HA3 0.005 3.964 3.960 -0.001 0.000 0.225 473 G C 1.344 175.704 174.900 -0.899 0.000 1.623 473 G CA -0.174 44.514 45.100 -0.687 0.000 0.903 473 G HN 0.201 nan 8.290 nan 0.000 0.574 474 I N 2.055 121.752 120.570 -1.454 0.000 2.530 474 I HA -0.191 3.979 4.170 -0.001 0.000 0.257 474 I C 2.862 178.873 176.117 -0.178 0.000 1.179 474 I CA 2.075 62.797 61.300 -0.964 0.000 1.440 474 I CB -0.059 37.558 38.000 -0.638 0.000 1.087 474 I HN 0.383 nan 8.210 nan 0.000 0.440 475 T N -1.620 112.889 114.554 -0.075 0.000 2.962 475 T HA 0.010 4.360 4.350 -0.001 0.000 0.270 475 T C 1.556 176.414 174.700 0.265 0.000 1.088 475 T CA 0.653 62.904 62.100 0.252 0.000 1.127 475 T CB -0.584 68.438 68.868 0.257 0.000 0.883 475 T HN 0.642 nan 8.240 nan 0.000 0.493 476 G N 1.516 110.427 108.800 0.184 0.000 2.198 476 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.257 476 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.257 476 G C 0.528 175.516 174.900 0.146 0.000 1.042 476 G CA 0.642 45.873 45.100 0.219 0.000 0.791 476 G HN 1.162 nan 8.290 nan 0.000 0.502 477 T N -3.464 111.178 114.554 0.146 0.000 3.215 477 T HA 0.740 5.089 4.350 -0.001 0.000 0.271 477 T C 0.830 175.736 174.700 0.344 0.000 1.012 477 T CA 0.997 63.126 62.100 0.048 0.000 0.899 477 T CB 0.986 69.780 68.868 -0.123 0.000 1.089 477 T HN 1.571 nan 8.240 nan 0.000 0.552 478 A N 1.340 124.372 122.820 0.353 0.000 2.281 478 A HA 0.712 5.031 4.320 -0.001 0.000 0.329 478 A C 0.113 177.798 177.584 0.168 0.000 1.122 478 A CA -0.997 51.278 52.037 0.395 0.000 0.850 478 A CB 0.922 20.190 19.000 0.446 0.000 1.207 478 A HN 0.431 nan 8.150 nan 0.000 0.495 479 K N -0.074 120.355 120.400 0.048 0.000 2.276 479 K HA 0.179 4.499 4.320 -0.001 0.000 0.259 479 K C 1.059 177.668 176.600 0.015 0.000 1.001 479 K CA 0.313 56.608 56.287 0.013 0.000 0.927 479 K CB 0.301 32.803 32.500 0.005 0.000 0.969 479 K HN 0.717 nan 8.250 nan 0.000 0.490 480 T N 1.351 115.944 114.554 0.065 0.000 2.653 480 T HA -0.220 4.129 4.350 -0.001 0.000 0.268 480 T C 1.691 176.425 174.700 0.056 0.000 1.035 480 T CA 1.943 64.084 62.100 0.069 0.000 1.154 480 T CB -0.455 68.461 68.868 0.081 0.000 0.862 480 T HN 0.707 nan 8.240 nan 0.000 0.441 481 H N 0.516 119.577 119.070 -0.015 0.000 2.495 481 H HA 0.110 4.665 4.556 -0.001 0.000 0.287 481 H C 2.014 177.308 175.328 -0.056 0.000 1.033 481 H CA 0.851 56.881 56.048 -0.030 0.000 1.307 481 H CB -0.744 28.996 29.762 -0.037 0.000 1.401 481 H HN 0.289 nan 8.280 nan 0.000 0.555 482 V N 1.097 120.639 119.914 -0.620 0.000 2.407 482 V HA -0.154 3.965 4.120 -0.001 0.000 0.245 482 V C 3.001 178.880 176.094 -0.359 0.000 1.041 482 V CA 1.049 63.010 62.300 -0.566 0.000 1.040 482 V CB -0.395 31.156 31.823 -0.453 0.000 0.671 482 V HN 0.230 nan 8.190 nan 0.000 0.455 483 V N -0.008 119.835 119.914 -0.118 0.000 2.407 483 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 483 V C 2.459 178.510 176.094 -0.071 0.000 1.055 483 V CA 1.868 64.162 62.300 -0.010 0.000 1.049 483 V CB -0.449 31.350 31.823 -0.041 0.000 0.662 483 V HN 0.414 nan 8.190 nan 0.000 0.455 484 V N 0.401 120.288 119.914 -0.046 0.000 2.343 484 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 484 V C 2.320 178.416 176.094 0.003 0.000 1.051 484 V CA 2.407 64.714 62.300 0.012 0.000 1.036 484 V CB -0.663 31.181 31.823 0.035 0.000 0.654 484 V HN 0.640 nan 8.190 nan 0.000 0.451 485 D N -0.916 119.441 120.400 -0.073 0.000 2.097 485 D HA -0.205 4.435 4.640 -0.001 0.000 0.195 485 D C 2.012 178.315 176.300 0.004 0.000 0.989 485 D CA 1.665 55.624 54.000 -0.069 0.000 0.827 485 D CB -0.262 40.437 40.800 -0.169 0.000 0.966 485 D HN 0.592 nan 8.370 nan 0.000 0.456 486 Y N 0.456 120.771 120.300 0.024 0.000 2.181 486 Y HA -0.141 4.408 4.550 -0.001 0.000 0.288 486 Y C 2.600 178.442 175.900 -0.097 0.000 1.146 486 Y CA 1.118 59.219 58.100 0.002 0.000 1.164 486 Y CB -0.102 38.408 38.460 0.083 0.000 0.982 486 Y HN 0.087 nan 8.280 nan 0.000 0.515 487 E N 0.459 120.725 120.200 0.110 0.000 2.051 487 E HA -0.264 4.086 4.350 -0.001 0.000 0.192 487 E C 2.020 178.683 176.600 0.105 0.000 0.991 487 E CA 1.316 57.803 56.400 0.145 0.000 0.799 487 E CB -0.049 29.828 29.700 0.294 0.000 0.748 487 E HN 0.570 nan 8.360 nan 0.000 0.449 488 Q N -0.061 119.791 119.800 0.086 0.000 2.084 488 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 488 Q C 2.327 178.356 176.000 0.049 0.000 0.978 488 Q CA 1.441 57.283 55.803 0.064 0.000 0.844 488 Q CB -0.090 28.679 28.738 0.052 0.000 0.898 488 Q HN 0.188 nan 8.270 nan 0.000 0.426 489 R N 0.025 120.557 120.500 0.053 0.000 2.081 489 R HA -0.069 4.270 4.340 -0.001 0.000 0.235 489 R C 2.266 178.570 176.300 0.008 0.000 1.131 489 R CA 1.450 57.575 56.100 0.042 0.000 0.960 489 R CB -0.160 30.188 30.300 0.080 0.000 0.856 489 R HN 0.297 nan 8.270 nan 0.000 0.436 490 M N -0.043 119.546 119.600 -0.019 0.000 2.229 490 M HA -0.157 4.322 4.480 -0.001 0.000 0.264 490 M C 2.271 178.540 176.300 -0.053 0.000 1.063 490 M CA 1.288 56.541 55.300 -0.079 0.000 1.114 490 M CB -0.095 32.396 32.600 -0.180 0.000 1.387 490 M HN 0.041 nan 8.290 nan 0.000 0.420 491 Q N 1.240 121.044 119.800 0.005 0.000 2.084 491 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 491 Q C 1.483 177.488 176.000 0.008 0.000 0.978 491 Q CA 1.850 57.670 55.803 0.029 0.000 0.844 491 Q CB -0.096 28.681 28.738 0.066 0.000 0.898 491 Q HN 0.536 nan 8.270 nan 0.000 0.426 492 E N -0.466 119.739 120.200 0.007 0.000 2.106 492 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 492 E C 1.882 178.475 176.600 -0.010 0.000 0.984 492 E CA 0.853 57.255 56.400 0.004 0.000 0.806 492 E CB -0.227 29.477 29.700 0.007 0.000 0.750 492 E HN 0.466 nan 8.360 nan 0.000 0.458 493 A N 1.406 124.210 122.820 -0.027 0.000 1.902 493 A HA -0.149 4.171 4.320 -0.001 0.000 0.217 493 A C 2.214 179.775 177.584 -0.038 0.000 1.181 493 A CA 0.996 53.008 52.037 -0.041 0.000 0.623 493 A CB -0.632 18.331 19.000 -0.063 0.000 0.818 493 A HN 0.123 nan 8.150 nan 0.000 0.443 494 L N -0.615 120.567 121.223 -0.068 0.000 2.046 494 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 494 L C 2.603 179.496 176.870 0.039 0.000 1.077 494 L CA 1.821 56.611 54.840 -0.083 0.000 0.747 494 L CB -0.440 41.504 42.059 -0.191 0.000 0.896 494 L HN 0.373 nan 8.230 nan 0.000 0.432 495 K N -0.090 120.325 120.400 0.026 0.000 2.097 495 K HA -0.135 4.184 4.320 -0.001 0.000 0.206 495 K C 2.234 178.856 176.600 0.036 0.000 1.049 495 K CA 1.296 57.608 56.287 0.041 0.000 0.933 495 K CB -0.262 32.251 32.500 0.023 0.000 0.717 495 K HN 0.288 nan 8.250 nan 0.000 0.442 496 A N 1.209 124.038 122.820 0.016 0.000 1.902 496 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 496 A C 2.444 180.032 177.584 0.007 0.000 1.181 496 A CA 1.492 53.528 52.037 -0.001 0.000 0.623 496 A CB -1.005 17.983 19.000 -0.021 0.000 0.818 496 A HN 0.403 nan 8.150 nan 0.000 0.443 497 C N -1.023 118.301 119.300 0.040 0.000 2.429 497 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 497 C C 2.874 177.912 174.990 0.080 0.000 1.262 497 C CA 1.283 60.339 59.018 0.063 0.000 1.733 497 C CB -1.276 26.558 27.740 0.156 0.000 2.010 497 C HN 0.792 nan 8.230 nan 0.000 0.483 498 Q N 0.214 120.092 119.800 0.130 0.000 2.061 498 Q HA -0.283 4.056 4.340 -0.001 0.000 0.204 498 Q C 2.173 178.236 176.000 0.106 0.000 0.984 498 Q CA 2.071 57.948 55.803 0.124 0.000 0.846 498 Q CB -0.282 28.537 28.738 0.135 0.000 0.902 498 Q HN 0.579 nan 8.270 nan 0.000 0.421 499 M N -0.084 119.554 119.600 0.064 0.000 2.080 499 M HA -0.147 4.333 4.480 -0.001 0.000 0.260 499 M C 1.873 178.187 176.300 0.024 0.000 1.068 499 M CA 1.601 56.930 55.300 0.047 0.000 1.109 499 M CB -0.525 32.085 32.600 0.016 0.000 1.342 499 M HN 0.143 nan 8.290 nan 0.000 0.405 500 V N 0.196 120.088 119.914 -0.037 0.000 2.295 500 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 500 V C 2.437 178.484 176.094 -0.079 0.000 1.049 500 V CA 2.213 64.433 62.300 -0.134 0.000 1.024 500 V CB -0.707 31.015 31.823 -0.168 0.000 0.648 500 V HN 0.559 nan 8.190 nan 0.000 0.447 501 M N 0.229 119.835 119.600 0.010 0.000 2.067 501 M HA -0.271 4.209 4.480 -0.001 0.000 0.260 501 M C 2.424 178.768 176.300 0.073 0.000 1.069 501 M CA 2.485 57.826 55.300 0.069 0.000 1.117 501 M CB -0.542 32.178 32.600 0.200 0.000 1.334 501 M HN 0.543 nan 8.290 nan 0.000 0.407 502 Q N -0.118 119.811 119.800 0.214 0.000 2.124 502 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 502 Q C 1.858 178.009 176.000 0.251 0.000 0.977 502 Q CA 1.276 57.215 55.803 0.228 0.000 0.850 502 Q CB -0.596 28.378 28.738 0.392 0.000 0.901 502 Q HN 0.416 nan 8.270 nan 0.000 0.429 503 Q N 0.552 120.498 119.800 0.242 0.000 2.084 503 Q HA -0.062 4.278 4.340 -0.001 0.000 0.202 503 Q C 2.339 178.567 176.000 0.381 0.000 0.978 503 Q CA 1.717 57.737 55.803 0.362 0.000 0.844 503 Q CB -0.258 28.609 28.738 0.215 0.000 0.898 503 Q HN 0.515 nan 8.270 nan 0.000 0.426 504 S N 0.368 116.178 115.700 0.183 0.000 2.356 504 S HA -0.101 4.369 4.470 -0.001 0.000 0.223 504 S C 2.202 176.834 174.600 0.053 0.000 1.032 504 S CA 1.141 59.497 58.200 0.260 0.000 1.005 504 S CB -0.265 63.019 63.200 0.140 0.000 0.867 504 S HN 0.136 nan 8.310 nan 0.000 0.449 505 V N 0.753 120.565 119.914 -0.169 0.000 2.332 505 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 505 V C 2.006 178.045 176.094 -0.091 0.000 1.055 505 V CA 1.883 63.952 62.300 -0.384 0.000 1.038 505 V CB -0.768 30.408 31.823 -1.080 0.000 0.651 505 V HN 0.531 nan 8.190 nan 0.000 0.450 506 Y N 1.178 121.482 120.300 0.006 0.000 2.165 506 Y HA -0.251 4.298 4.550 -0.001 0.000 0.286 506 Y C 2.750 178.700 175.900 0.082 0.000 1.155 506 Y CA 2.225 60.439 58.100 0.189 0.000 1.164 506 Y CB -0.344 38.169 38.460 0.088 0.000 0.978 506 Y HN 0.101 nan 8.280 nan 0.000 0.513 507 R N -0.248 120.159 120.500 -0.154 0.000 2.090 507 R HA -0.088 4.251 4.340 -0.001 0.000 0.228 507 R C 2.128 178.074 176.300 -0.591 0.000 1.110 507 R CA 1.446 57.075 56.100 -0.785 0.000 0.973 507 R CB -0.342 29.479 30.300 -0.799 0.000 0.869 507 R HN 0.434 nan 8.270 nan 0.000 0.440 508 L N 0.290 121.316 121.223 -0.329 0.000 2.291 508 L HA -0.047 4.292 4.340 -0.001 0.000 0.214 508 L C 1.383 178.104 176.870 -0.248 0.000 1.120 508 L CA 0.744 55.362 54.840 -0.370 0.000 0.799 508 L CB 0.141 41.831 42.059 -0.614 0.000 0.925 508 L HN 0.230 nan 8.230 nan 0.000 0.446 509 L N -1.239 119.942 121.223 -0.069 0.000 3.014 509 L HA 0.222 4.561 4.340 -0.001 0.000 0.263 509 L C -0.212 176.700 176.870 0.069 0.000 1.207 509 L CA -0.095 54.792 54.840 0.078 0.000 1.017 509 L CB 0.478 42.738 42.059 0.336 0.000 1.360 509 L HN -0.009 nan 8.230 nan 0.000 0.560 510 T N 0.141 114.660 114.554 -0.059 0.000 2.824 510 T HA 0.182 4.532 4.350 -0.001 0.000 0.282 510 T C -0.143 174.470 174.700 -0.146 0.000 0.993 510 T CA -0.564 61.482 62.100 -0.090 0.000 0.967 510 T CB 2.397 71.152 68.868 -0.188 0.000 0.960 510 T HN 0.019 nan 8.240 nan 0.000 0.441 511 K N 3.971 124.301 120.400 -0.116 0.000 2.491 511 K HA -0.011 4.309 4.320 -0.001 0.000 0.279 511 K C -1.732 174.831 176.600 -0.062 0.000 1.026 511 K CA -1.085 55.148 56.287 -0.090 0.000 1.070 511 K CB 0.431 32.886 32.500 -0.075 0.000 0.887 511 K HN 0.173 nan 8.250 nan 0.000 0.481 512 P HA -0.252 nan 4.420 nan 0.000 0.216 512 P C 0.871 178.182 177.300 0.019 0.000 1.157 512 P CA 1.826 64.901 63.100 -0.041 0.000 0.880 512 P CB 0.114 31.785 31.700 -0.048 0.000 0.791 513 S N -2.202 113.500 115.700 0.002 0.000 2.555 513 S HA 0.004 4.474 4.470 -0.001 0.000 0.230 513 S C 1.702 176.311 174.600 0.016 0.000 0.978 513 S CA 0.691 58.897 58.200 0.009 0.000 0.934 513 S CB -1.137 62.061 63.200 -0.003 0.000 0.766 513 S HN 0.120 nan 8.310 nan 0.000 0.533 514 I N -0.932 119.654 120.570 0.026 0.000 3.790 514 I HA 0.205 4.374 4.170 -0.001 0.000 0.305 514 I C 0.514 176.669 176.117 0.064 0.000 1.253 514 I CA -0.404 60.917 61.300 0.034 0.000 1.355 514 I CB -0.040 37.975 38.000 0.026 0.000 1.137 514 I HN 0.237 nan 8.210 nan 0.000 0.435 515 Y N 2.948 123.191 120.300 -0.095 0.000 2.852 515 Y HA -0.062 4.488 4.550 -0.001 0.000 0.343 515 Y C 0.460 176.327 175.900 -0.055 0.000 1.280 515 Y CA 0.032 58.043 58.100 -0.149 0.000 1.604 515 Y CB 0.298 38.623 38.460 -0.225 0.000 1.216 515 Y HN -0.113 nan 8.280 nan 0.000 0.541 516 S N 8.996 124.492 115.700 -0.340 0.000 2.279 516 S HA 0.366 4.836 4.470 -0.001 0.000 0.176 516 S C -2.812 171.591 174.600 -0.328 0.000 1.554 516 S CA -1.249 56.756 58.200 -0.325 0.000 1.242 516 S CB -0.034 63.098 63.200 -0.114 0.000 1.163 516 S HN 0.659 nan 8.310 nan 0.000 0.449 517 P HA 0.319 nan 4.420 nan 0.000 0.275 517 P C -1.193 175.854 177.300 -0.422 0.000 1.227 517 P CA -0.139 62.721 63.100 -0.399 0.000 0.781 517 P CB 0.875 32.262 31.700 -0.522 0.000 0.906 518 D N 2.693 123.036 120.400 -0.094 0.000 2.461 518 D HA 0.147 4.787 4.640 -0.001 0.000 0.240 518 D C 0.380 176.707 176.300 0.044 0.000 1.094 518 D CA -0.723 53.198 54.000 -0.131 0.000 0.868 518 D CB 0.143 40.891 40.800 -0.086 0.000 1.062 518 D HN 0.027 nan 8.370 nan 0.000 0.530 519 F N 1.600 121.667 119.950 0.195 0.000 2.605 519 F HA -0.090 4.437 4.527 -0.001 0.000 0.296 519 F C 2.373 178.249 175.800 0.127 0.000 1.146 519 F CA 0.699 58.812 58.000 0.188 0.000 1.478 519 F CB -0.545 38.547 39.000 0.154 0.000 1.107 519 F HN 0.346 nan 8.300 nan 0.000 0.600 520 S N -2.200 113.640 115.700 0.234 0.000 2.523 520 S HA 0.147 4.617 4.470 -0.001 0.000 0.217 520 S C 0.285 174.931 174.600 0.078 0.000 0.996 520 S CA -0.457 57.825 58.200 0.137 0.000 0.921 520 S CB -0.572 62.690 63.200 0.102 0.000 0.829 520 S HN 0.075 nan 8.310 nan 0.000 0.495 521 F N 2.990 122.870 119.950 -0.117 0.000 2.375 521 F HA 0.594 5.120 4.527 -0.001 0.000 0.333 521 F C 0.025 175.603 175.800 -0.370 0.000 1.104 521 F CA -0.585 57.215 58.000 -0.334 0.000 1.149 521 F CB 1.529 40.160 39.000 -0.616 0.000 1.190 521 F HN -0.038 nan 8.300 nan 0.000 0.533 522 S N 5.861 120.842 115.700 -1.199 0.000 2.466 522 S HA 0.169 4.638 4.470 -0.001 0.000 0.313 522 S C 0.339 174.369 174.600 -0.951 0.000 1.078 522 S CA -0.343 57.400 58.200 -0.763 0.000 1.115 522 S CB -0.177 62.689 63.200 -0.557 0.000 1.006 522 S HN 0.665 nan 8.310 nan 0.000 0.487 523 Y N 1.547 121.626 120.300 -0.368 0.000 2.314 523 Y HA 0.160 4.709 4.550 -0.001 0.000 0.293 523 Y C 0.331 175.739 175.900 -0.820 0.000 1.129 523 Y CA 0.738 58.501 58.100 -0.562 0.000 1.201 523 Y CB 0.179 38.339 38.460 -0.500 0.000 0.999 523 Y HN 0.485 nan 8.280 nan 0.000 0.541 524 F N -1.873 118.032 119.950 -0.074 0.000 2.613 524 F HA 0.479 5.005 4.527 -0.001 0.000 0.314 524 F C -0.205 175.627 175.800 0.052 0.000 1.075 524 F CA -1.293 56.731 58.000 0.040 0.000 0.945 524 F CB 1.746 40.908 39.000 0.269 0.000 1.310 524 F HN -0.528 nan 8.300 nan 0.000 0.467 525 T N 2.912 117.634 114.554 0.281 0.000 2.807 525 T HA 0.523 4.872 4.350 -0.001 0.000 0.279 525 T C -0.371 174.427 174.700 0.162 0.000 0.993 525 T CA -0.578 61.614 62.100 0.153 0.000 0.970 525 T CB 1.029 69.939 68.868 0.070 0.000 0.950 525 T HN 0.325 nan 8.240 nan 0.000 0.441 526 L N 2.794 124.047 121.223 0.050 0.000 2.426 526 L HA 0.349 4.689 4.340 -0.001 0.000 0.271 526 L C 0.181 177.029 176.870 -0.036 0.000 1.169 526 L CA -0.182 54.584 54.840 -0.122 0.000 0.836 526 L CB 0.582 42.543 42.059 -0.163 0.000 1.112 526 L HN 0.652 nan 8.230 nan 0.000 0.465 527 D N 1.831 122.186 120.400 -0.074 0.000 2.481 527 D HA 0.189 4.829 4.640 -0.001 0.000 0.246 527 D C -1.180 175.039 176.300 -0.135 0.000 1.109 527 D CA -0.382 53.577 54.000 -0.068 0.000 0.845 527 D CB 1.051 41.837 40.800 -0.022 0.000 1.160 527 D HN 0.274 nan 8.370 nan 0.000 0.534 528 D N 2.047 122.398 120.400 -0.081 0.000 2.425 528 D HA 0.098 4.738 4.640 -0.001 0.000 0.240 528 D C 0.652 176.900 176.300 -0.087 0.000 1.080 528 D CA -0.344 53.634 54.000 -0.037 0.000 0.836 528 D CB 1.632 42.515 40.800 0.139 0.000 1.125 528 D HN 0.334 nan 8.370 nan 0.000 0.525 529 S N 3.289 118.909 115.700 -0.133 0.000 2.562 529 S HA 0.050 4.520 4.470 -0.001 0.000 0.221 529 S C 1.153 175.718 174.600 -0.058 0.000 0.975 529 S CA 0.179 58.294 58.200 -0.141 0.000 0.918 529 S CB 0.226 63.323 63.200 -0.172 0.000 0.772 529 S HN 0.474 nan 8.310 nan 0.000 0.531 530 R N -0.364 120.134 120.500 -0.002 0.000 2.508 530 R HA 0.310 4.649 4.340 -0.001 0.000 0.300 530 R C -0.729 175.656 176.300 0.142 0.000 0.970 530 R CA -0.204 55.922 56.100 0.043 0.000 1.102 530 R CB 0.542 30.863 30.300 0.035 0.000 1.246 530 R HN 0.544 nan 8.270 nan 0.000 0.539 531 W N 1.096 122.352 121.300 -0.073 0.000 3.405 531 W HA 0.273 4.933 4.660 -0.001 0.000 0.329 531 W C -2.938 173.539 176.519 -0.070 0.000 1.142 531 W CA -1.931 55.358 57.345 -0.093 0.000 1.235 531 W CB 1.717 31.104 29.460 -0.123 0.000 1.341 531 W HN -0.192 nan 8.180 nan 0.000 0.481 532 P HA 0.083 nan 4.420 nan 0.000 0.225 532 P C 0.359 177.306 177.300 -0.589 0.000 1.148 532 P CA 1.841 64.105 63.100 -1.393 0.000 0.779 532 P CB 0.252 31.365 31.700 -0.979 0.000 0.780 533 G N -1.026 107.603 108.800 -0.286 0.000 2.650 533 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 533 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 533 G C -0.409 174.438 174.900 -0.089 0.000 1.205 533 G CA -0.499 44.522 45.100 -0.132 0.000 0.781 533 G HN 0.098 nan 8.290 nan 0.000 0.648 534 S N 0.271 115.958 115.700 -0.021 0.000 2.537 534 S HA 0.523 4.992 4.470 -0.001 0.000 0.286 534 S C 1.843 176.446 174.600 0.006 0.000 1.299 534 S CA 2.026 60.243 58.200 0.028 0.000 1.067 534 S CB 0.280 63.534 63.200 0.090 0.000 0.864 534 S HN 2.710 nan 8.310 nan 0.000 0.494 535 G N 2.819 111.622 108.800 0.006 0.000 2.195 535 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.246 535 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.246 535 G C 0.607 175.487 174.900 -0.033 0.000 0.984 535 G CA 0.312 45.407 45.100 -0.007 0.000 0.633 535 G HN 0.895 nan 8.290 nan 0.000 0.525 536 V N -0.174 119.702 119.914 -0.063 0.000 2.788 536 V HA 0.461 4.580 4.120 -0.001 0.000 0.241 536 V C 0.715 176.747 176.094 -0.104 0.000 1.083 536 V CA 1.822 64.065 62.300 -0.095 0.000 1.103 536 V CB 0.957 32.687 31.823 -0.155 0.000 0.800 536 V HN 0.603 nan 8.190 nan 0.000 0.476 537 E N 0.428 120.564 120.200 -0.106 0.000 2.522 537 E HA 0.128 4.478 4.350 -0.001 0.000 0.315 537 E C -1.815 174.752 176.600 -0.056 0.000 0.917 537 E CA -0.445 55.901 56.400 -0.090 0.000 0.796 537 E CB 1.395 31.013 29.700 -0.136 0.000 1.323 537 E HN 0.225 nan 8.360 nan 0.000 0.397 538 D N 2.939 123.331 120.400 -0.014 0.000 2.416 538 D HA 0.104 4.744 4.640 -0.001 0.000 0.240 538 D C 0.604 176.911 176.300 0.011 0.000 1.250 538 D CA 0.650 54.663 54.000 0.023 0.000 0.967 538 D CB 0.602 41.425 40.800 0.039 0.000 1.059 538 D HN 0.385 nan 8.370 nan 0.000 0.512 539 S N 2.956 118.652 115.700 -0.006 0.000 2.564 539 S HA 0.046 4.516 4.470 -0.001 0.000 0.231 539 S C 0.868 175.468 174.600 -0.001 0.000 1.067 539 S CA -0.632 57.560 58.200 -0.012 0.000 0.908 539 S CB -0.058 63.117 63.200 -0.042 0.000 0.809 539 S HN 0.469 nan 8.310 nan 0.000 0.491 540 R N 2.788 123.275 120.500 -0.023 0.000 2.590 540 R HA 0.350 4.689 4.340 -0.001 0.000 0.274 540 R C 0.158 176.477 176.300 0.032 0.000 1.061 540 R CA 0.266 56.336 56.100 -0.050 0.000 1.081 540 R CB -0.451 29.713 30.300 -0.226 0.000 0.984 540 R HN 0.298 nan 8.270 nan 0.000 0.448 541 T N -0.324 114.260 114.554 0.050 0.000 2.904 541 T HA 0.161 4.511 4.350 -0.001 0.000 0.290 541 T C 0.072 174.874 174.700 0.170 0.000 1.018 541 T CA -0.592 61.568 62.100 0.099 0.000 1.075 541 T CB 1.408 70.323 68.868 0.079 0.000 0.986 541 T HN 0.560 nan 8.240 nan 0.000 0.523 542 T N 2.899 117.562 114.554 0.182 0.000 2.799 542 T HA 0.423 4.772 4.350 -0.001 0.000 0.286 542 T C 0.342 175.148 174.700 0.176 0.000 0.973 542 T CA -0.552 61.682 62.100 0.223 0.000 1.035 542 T CB 0.307 69.271 68.868 0.161 0.000 0.932 542 T HN 0.568 nan 8.240 nan 0.000 0.469 543 I N 4.235 124.928 120.570 0.204 0.000 2.421 543 I HA 0.205 4.374 4.170 -0.001 0.000 0.291 543 I C 0.147 176.351 176.117 0.144 0.000 1.089 543 I CA -0.089 61.310 61.300 0.165 0.000 1.354 543 I CB 0.215 38.314 38.000 0.166 0.000 1.413 543 I HN 0.451 nan 8.210 nan 0.000 0.513 544 I N 8.078 128.717 120.570 0.116 0.000 2.301 544 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 544 I C -0.129 176.048 176.117 0.100 0.000 1.046 544 I CA -0.181 61.180 61.300 0.101 0.000 1.282 544 I CB 0.438 38.485 38.000 0.078 0.000 1.409 544 I HN 0.385 nan 8.210 nan 0.000 0.484 545 L N 5.817 127.104 121.223 0.106 0.000 2.333 545 L HA 0.955 5.295 4.340 -0.001 0.000 0.269 545 L C 0.161 177.087 176.870 0.095 0.000 1.010 545 L CA -0.695 54.207 54.840 0.103 0.000 0.818 545 L CB 2.166 44.293 42.059 0.113 0.000 1.306 545 L HN 0.692 nan 8.230 nan 0.000 0.430 546 G N 0.114 108.966 108.800 0.087 0.000 2.473 546 G HA2 0.203 4.163 3.960 -0.001 0.000 0.298 546 G HA3 0.203 4.163 3.960 -0.001 0.000 0.298 546 G C -0.274 174.668 174.900 0.070 0.000 1.575 546 G CA -0.514 44.633 45.100 0.079 0.000 0.846 546 G HN 0.679 nan 8.290 nan 0.000 0.585 547 E N 0.244 120.483 120.200 0.065 0.000 2.130 547 E HA -0.137 4.212 4.350 -0.001 0.000 0.196 547 E C 0.805 177.433 176.600 0.047 0.000 0.998 547 E CA 1.350 57.783 56.400 0.054 0.000 0.806 547 E CB 0.246 29.974 29.700 0.048 0.000 0.738 547 E HN 0.479 nan 8.360 nan 0.000 0.459 548 D N -0.565 119.863 120.400 0.046 0.000 2.328 548 D HA 0.067 4.707 4.640 -0.001 0.000 0.221 548 D C 1.134 177.459 176.300 0.042 0.000 1.072 548 D CA 0.292 54.316 54.000 0.040 0.000 0.850 548 D CB 0.753 41.575 40.800 0.036 0.000 0.922 548 D HN 0.156 nan 8.370 nan 0.000 0.516 549 I N -0.873 119.727 120.570 0.050 0.000 4.317 549 I HA 0.205 4.374 4.170 -0.001 0.000 0.289 549 I C -1.394 174.759 176.117 0.060 0.000 1.164 549 I CA 0.168 61.499 61.300 0.051 0.000 1.312 549 I CB 1.148 39.179 38.000 0.051 0.000 1.569 549 I HN -0.170 nan 8.210 nan 0.000 0.450 550 L N 2.137 123.402 121.223 0.069 0.000 2.795 550 L HA 0.506 4.845 4.340 -0.001 0.000 0.260 550 L C -2.462 174.460 176.870 0.087 0.000 0.935 550 L CA -0.807 54.082 54.840 0.082 0.000 0.985 550 L CB 1.833 43.947 42.059 0.092 0.000 1.433 550 L HN -0.110 nan 8.230 nan 0.000 0.447 551 P HA 0.051 nan 4.420 nan 0.000 0.221 551 P C -0.084 177.273 177.300 0.095 0.000 1.155 551 P CA 0.757 63.907 63.100 0.084 0.000 0.812 551 P CB 0.509 32.252 31.700 0.071 0.000 0.801 552 S N -1.722 114.046 115.700 0.112 0.000 2.651 552 S HA 0.746 5.216 4.470 -0.001 0.000 0.279 552 S C -1.052 173.655 174.600 0.178 0.000 1.148 552 S CA -0.672 57.603 58.200 0.126 0.000 0.837 552 S CB 2.601 65.870 63.200 0.116 0.000 1.138 552 S HN -0.097 nan 8.310 nan 0.000 0.478 553 K N 0.388 120.902 120.400 0.189 0.000 2.535 553 K HA 0.403 4.723 4.320 -0.001 0.000 0.251 553 K C -1.780 174.997 176.600 0.295 0.000 0.942 553 K CA -0.271 56.171 56.287 0.259 0.000 0.798 553 K CB 1.165 33.776 32.500 0.185 0.000 1.267 553 K HN 0.880 nan 8.250 nan 0.000 0.434 554 H N 2.062 121.276 119.070 0.239 0.000 2.502 554 H HA 0.504 5.060 4.556 -0.001 0.000 0.327 554 H C -0.295 175.258 175.328 0.375 0.000 1.099 554 H CA -0.683 55.550 56.048 0.308 0.000 1.323 554 H CB 1.462 31.481 29.762 0.429 0.000 1.450 554 H HN 0.452 nan 8.280 nan 0.000 0.502 555 V N 0.775 120.952 119.914 0.438 0.000 2.876 555 V HA 0.625 4.745 4.120 -0.001 0.000 0.312 555 V C -0.587 175.853 176.094 0.576 0.000 1.085 555 V CA -0.828 61.728 62.300 0.428 0.000 0.945 555 V CB 1.888 33.712 31.823 0.003 0.000 1.017 555 V HN 0.414 nan 8.190 nan 0.000 0.428 556 V N 4.121 124.407 119.914 0.621 0.000 2.638 556 V HA 0.640 4.760 4.120 -0.001 0.000 0.306 556 V C -0.432 176.021 176.094 0.598 0.000 1.052 556 V CA -0.378 62.248 62.300 0.544 0.000 0.885 556 V CB 1.857 33.864 31.823 0.306 0.000 0.999 556 V HN 0.943 nan 8.190 nan 0.000 0.424 557 M N 4.106 124.023 119.600 0.528 0.000 2.404 557 M HA 0.499 4.978 4.480 -0.001 0.000 0.338 557 M C -0.520 176.035 176.300 0.426 0.000 1.150 557 M CA -0.245 55.333 55.300 0.462 0.000 1.016 557 M CB 1.221 34.041 32.600 0.366 0.000 1.672 557 M HN 0.769 nan 8.290 nan 0.000 0.448 558 H N 1.949 121.215 119.070 0.327 0.000 2.524 558 H HA 0.495 5.051 4.556 -0.001 0.000 0.353 558 H C -1.426 174.011 175.328 0.181 0.000 1.136 558 H CA -0.596 55.609 56.048 0.261 0.000 1.193 558 H CB 1.263 31.236 29.762 0.352 0.000 1.558 558 H HN 0.664 nan 8.280 nan 0.000 0.515 559 N N 3.101 121.518 118.700 -0.472 0.000 2.569 559 N HA 0.042 4.782 4.740 -0.001 0.000 0.254 559 N C 0.328 175.508 175.510 -0.550 0.000 1.004 559 N CA -0.307 52.507 53.050 -0.394 0.000 0.904 559 N CB 1.549 39.915 38.487 -0.201 0.000 1.165 559 N HN 0.629 nan 8.380 nan 0.000 0.513 560 T N 2.820 117.102 114.554 -0.453 0.000 3.035 560 T HA 0.135 4.485 4.350 -0.001 0.000 0.268 560 T C 0.688 175.360 174.700 -0.047 0.000 1.109 560 T CA 0.540 62.554 62.100 -0.143 0.000 1.119 560 T CB -0.257 68.671 68.868 0.099 0.000 0.900 560 T HN 0.421 nan 8.240 nan 0.000 0.503 561 L N 2.872 124.013 121.223 -0.137 0.000 2.397 561 L HA 0.281 4.621 4.340 -0.001 0.000 0.271 561 L C -1.520 175.216 176.870 -0.223 0.000 1.148 561 L CA -1.800 52.923 54.840 -0.194 0.000 0.825 561 L CB 0.606 42.420 42.059 -0.409 0.000 1.117 561 L HN -0.023 nan 8.230 nan 0.000 0.456 562 P HA 0.015 nan 4.420 nan 0.000 0.254 562 P C -0.869 176.463 177.300 0.055 0.000 1.631 562 P CA 0.452 63.553 63.100 0.002 0.000 0.861 562 P CB -0.374 31.382 31.700 0.093 0.000 1.663 563 H N -3.416 115.664 119.070 0.017 0.000 3.046 563 H HA 0.220 4.776 4.556 -0.001 0.000 0.361 563 H C -1.106 174.242 175.328 0.033 0.000 1.235 563 H CA -1.062 55.016 56.048 0.049 0.000 1.146 563 H CB -0.125 29.694 29.762 0.095 0.000 1.859 563 H HN -0.144 nan 8.280 nan 0.000 0.548 564 W N 1.852 123.260 121.300 0.181 0.000 2.257 564 W HA 0.237 4.896 4.660 -0.001 0.000 0.337 564 W C 0.922 177.542 176.519 0.169 0.000 1.321 564 W CA 0.492 57.907 57.345 0.118 0.000 1.267 564 W CB 0.461 29.980 29.460 0.097 0.000 1.187 564 W HN 0.537 nan 8.180 nan 0.000 0.565 565 R N 2.284 122.977 120.500 0.321 0.000 2.604 565 R HA 0.316 4.655 4.340 -0.001 0.000 0.281 565 R C -1.123 175.304 176.300 0.213 0.000 1.020 565 R CA -0.657 55.588 56.100 0.243 0.000 0.899 565 R CB 1.474 31.840 30.300 0.109 0.000 1.205 565 R HN 0.507 nan 8.270 nan 0.000 0.450 566 E N 2.483 122.788 120.200 0.176 0.000 2.195 566 E HA 0.270 4.619 4.350 -0.001 0.000 0.271 566 E C -1.345 175.304 176.600 0.082 0.000 0.923 566 E CA -0.825 55.659 56.400 0.140 0.000 0.790 566 E CB 2.527 32.306 29.700 0.130 0.000 1.155 566 E HN 0.434 nan 8.360 nan 0.000 0.402 567 Q N 2.982 122.809 119.800 0.045 0.000 2.438 567 Q HA 0.243 4.583 4.340 -0.001 0.000 0.272 567 Q C -1.635 174.327 176.000 -0.063 0.000 0.994 567 Q CA -0.559 55.242 55.803 -0.005 0.000 0.887 567 Q CB 1.405 30.131 28.738 -0.019 0.000 1.432 567 Q HN 0.552 nan 8.270 nan 0.000 0.392 568 L N 3.186 124.365 121.223 -0.074 0.000 2.426 568 L HA 0.453 4.792 4.340 -0.001 0.000 0.271 568 L C 0.143 176.880 176.870 -0.223 0.000 1.169 568 L CA -0.429 54.330 54.840 -0.135 0.000 0.836 568 L CB 0.847 42.863 42.059 -0.072 0.000 1.112 568 L HN 0.507 nan 8.230 nan 0.000 0.465 569 V N -0.650 119.026 119.914 -0.397 0.000 2.962 569 V HA 0.697 4.816 4.120 -0.001 0.000 0.313 569 V C -1.008 174.802 176.094 -0.473 0.000 1.099 569 V CA -0.860 61.160 62.300 -0.466 0.000 0.971 569 V CB 2.174 33.670 31.823 -0.543 0.000 1.028 569 V HN 0.800 nan 8.190 nan 0.000 0.430 570 D N 1.489 121.611 120.400 -0.463 0.000 2.601 570 D HA 0.665 5.304 4.640 -0.001 0.000 0.230 570 D C -1.411 174.604 176.300 -0.475 0.000 1.106 570 D CA -0.417 53.431 54.000 -0.253 0.000 0.873 570 D CB 2.547 43.298 40.800 -0.082 0.000 1.515 570 D HN 0.451 nan 8.370 nan 0.000 0.468 571 F N -0.360 119.642 119.950 0.088 0.000 2.613 571 F HA 0.335 4.862 4.527 -0.001 0.000 0.310 571 F C -0.681 175.275 175.800 0.261 0.000 1.085 571 F CA -1.047 57.017 58.000 0.106 0.000 0.945 571 F CB 1.555 40.659 39.000 0.172 0.000 1.298 571 F HN 0.152 nan 8.300 nan 0.000 0.455 572 Y N 2.124 122.589 120.300 0.276 0.000 2.316 572 Y HA 0.577 5.126 4.550 -0.001 0.000 0.331 572 Y C 0.159 176.180 175.900 0.202 0.000 1.083 572 Y CA -1.516 56.692 58.100 0.179 0.000 1.206 572 Y CB 1.055 39.575 38.460 0.100 0.000 1.195 572 Y HN 0.354 nan 8.280 nan 0.000 0.497 573 V N -0.278 119.838 119.914 0.337 0.000 2.962 573 V HA 0.541 4.661 4.120 -0.001 0.000 0.313 573 V C 0.391 176.625 176.094 0.234 0.000 1.099 573 V CA -0.774 61.684 62.300 0.265 0.000 0.971 573 V CB 1.701 33.678 31.823 0.256 0.000 1.028 573 V HN 0.684 nan 8.190 nan 0.000 0.430 574 S N 0.523 116.337 115.700 0.190 0.000 2.650 574 S HA 0.237 4.707 4.470 -0.001 0.000 0.219 574 S C 0.645 175.383 174.600 0.230 0.000 0.960 574 S CA 0.508 58.810 58.200 0.170 0.000 0.925 574 S CB -0.366 62.904 63.200 0.116 0.000 0.775 574 S HN 1.535 nan 8.310 nan 0.000 0.525 575 S N 1.121 116.960 115.700 0.232 0.000 2.537 575 S HA 0.537 5.006 4.470 -0.001 0.000 0.270 575 S C -2.627 171.900 174.600 -0.122 0.000 1.142 575 S CA -1.215 57.011 58.200 0.043 0.000 0.870 575 S CB 1.970 65.196 63.200 0.043 0.000 1.112 575 S HN 0.020 nan 8.310 nan 0.000 0.466 576 P HA 0.166 nan 4.420 nan 0.000 0.240 576 P C 0.110 177.347 177.300 -0.106 0.000 1.190 576 P CA 0.365 63.163 63.100 -0.504 0.000 0.781 576 P CB -0.135 30.974 31.700 -0.985 0.000 0.931 577 F N 1.043 121.015 119.950 0.037 0.000 2.573 577 F HA 0.234 4.760 4.527 -0.001 0.000 0.349 577 F C 0.374 176.224 175.800 0.082 0.000 1.213 577 F CA -0.794 57.256 58.000 0.083 0.000 1.300 577 F CB 0.212 39.223 39.000 0.019 0.000 1.661 577 F HN -0.327 nan 8.300 nan 0.000 0.616 578 V N 0.891 120.951 119.914 0.243 0.000 2.735 578 V HA 0.503 4.622 4.120 -0.001 0.000 0.310 578 V C -0.305 175.860 176.094 0.120 0.000 1.061 578 V CA -0.824 61.573 62.300 0.161 0.000 0.913 578 V CB 2.269 34.178 31.823 0.144 0.000 1.005 578 V HN 0.470 nan 8.190 nan 0.000 0.428 579 S N 2.908 118.658 115.700 0.084 0.000 2.566 579 S HA 0.891 5.360 4.470 -0.001 0.000 0.298 579 S C -0.935 173.655 174.600 -0.016 0.000 1.083 579 S CA -0.761 57.470 58.200 0.051 0.000 0.978 579 S CB 2.025 65.269 63.200 0.075 0.000 1.073 579 S HN 0.456 nan 8.310 nan 0.000 0.491 580 V N 1.935 121.801 119.914 -0.080 0.000 2.667 580 V HA 0.863 4.982 4.120 -0.001 0.000 0.308 580 V C 0.140 176.144 176.094 -0.151 0.000 1.048 580 V CA -0.415 61.757 62.300 -0.214 0.000 0.928 580 V CB 1.589 33.084 31.823 -0.547 0.000 1.004 580 V HN 1.230 nan 8.190 nan 0.000 0.444 581 T N -0.733 113.749 114.554 -0.120 0.000 2.883 581 T HA 0.615 4.964 4.350 -0.001 0.000 0.301 581 T C -1.007 173.667 174.700 -0.043 0.000 1.158 581 T CA -0.924 61.131 62.100 -0.075 0.000 1.007 581 T CB 2.092 70.912 68.868 -0.081 0.000 1.186 581 T HN 0.712 nan 8.240 nan 0.000 0.499 582 D N 0.835 121.184 120.400 -0.085 0.000 2.506 582 D HA 0.276 4.916 4.640 -0.001 0.000 0.272 582 D C 1.150 177.312 176.300 -0.229 0.000 1.214 582 D CA -1.204 52.636 54.000 -0.267 0.000 1.067 582 D CB 0.267 40.900 40.800 -0.278 0.000 1.117 582 D HN 0.352 nan 8.370 nan 0.000 0.578 583 L N -0.568 120.500 121.223 -0.258 0.000 2.465 583 L HA 0.168 4.507 4.340 -0.001 0.000 0.224 583 L C 1.862 178.652 176.870 -0.134 0.000 1.145 583 L CA 1.151 55.879 54.840 -0.187 0.000 0.834 583 L CB -0.861 41.092 42.059 -0.176 0.000 0.944 583 L HN 0.613 nan 8.230 nan 0.000 0.451 584 A N -1.313 121.434 122.820 -0.122 0.000 2.307 584 A HA 0.093 4.413 4.320 -0.001 0.000 0.218 584 A C 1.169 178.706 177.584 -0.078 0.000 1.228 584 A CA 0.313 52.297 52.037 -0.089 0.000 0.857 584 A CB -0.427 18.526 19.000 -0.078 0.000 0.897 584 A HN 0.525 nan 8.150 nan 0.000 0.495 585 N N -0.094 118.553 118.700 -0.089 0.000 2.800 585 N HA -0.129 4.611 4.740 -0.001 0.000 0.250 585 N C -1.022 174.446 175.510 -0.070 0.000 1.078 585 N CA 0.661 53.667 53.050 -0.073 0.000 0.804 585 N CB -1.485 36.970 38.487 -0.054 0.000 1.135 585 N HN 0.590 nan 8.380 nan 0.000 0.565 586 N N 1.703 120.357 118.700 -0.078 0.000 2.497 586 N HA 0.231 4.970 4.740 -0.001 0.000 0.271 586 N C -2.281 173.164 175.510 -0.107 0.000 1.142 586 N CA -0.607 52.394 53.050 -0.082 0.000 0.965 586 N CB 0.708 39.155 38.487 -0.067 0.000 1.077 586 N HN 0.247 nan 8.380 nan 0.000 0.462 587 P HA 0.076 nan 4.420 nan 0.000 0.271 587 P C -0.566 176.591 177.300 -0.239 0.000 1.218 587 P CA -0.141 62.791 63.100 -0.281 0.000 0.780 587 P CB 0.948 32.256 31.700 -0.653 0.000 0.901 588 V N 2.409 122.223 119.914 -0.167 0.000 2.531 588 V HA 0.214 4.334 4.120 -0.001 0.000 0.301 588 V C 0.514 176.588 176.094 -0.033 0.000 1.034 588 V CA -0.819 61.439 62.300 -0.070 0.000 0.865 588 V CB 1.454 33.249 31.823 -0.045 0.000 0.995 588 V HN 0.579 nan 8.190 nan 0.000 0.424 589 E N 2.763 122.981 120.200 0.031 0.000 2.415 589 E HA 0.456 4.805 4.350 -0.001 0.000 0.263 589 E C -0.191 176.477 176.600 0.114 0.000 0.995 589 E CA 0.120 56.576 56.400 0.093 0.000 0.915 589 E CB 0.919 30.679 29.700 0.101 0.000 0.951 589 E HN 0.878 nan 8.360 nan 0.000 0.449 590 A N 4.294 127.174 122.820 0.101 0.000 2.527 590 A HA 0.452 4.771 4.320 -0.001 0.000 0.293 590 A C -1.265 176.344 177.584 0.042 0.000 1.117 590 A CA -0.685 51.424 52.037 0.120 0.000 0.723 590 A CB 1.993 21.061 19.000 0.113 0.000 1.313 590 A HN 0.646 nan 8.150 nan 0.000 0.411 591 Q N 0.713 120.544 119.800 0.051 0.000 2.347 591 Q HA 0.638 4.977 4.340 -0.001 0.000 0.271 591 Q C -2.078 173.924 176.000 0.003 0.000 1.064 591 Q CA -0.534 55.259 55.803 -0.017 0.000 0.800 591 Q CB 2.242 31.006 28.738 0.043 0.000 1.304 591 Q HN 0.582 nan 8.270 nan 0.000 0.438 592 V N 2.499 122.352 119.914 -0.102 0.000 2.513 592 V HA 0.608 4.727 4.120 -0.001 0.000 0.299 592 V C -0.530 175.746 176.094 0.303 0.000 1.035 592 V CA -0.312 62.035 62.300 0.079 0.000 0.889 592 V CB 1.867 33.697 31.823 0.013 0.000 0.988 592 V HN 0.849 nan 8.190 nan 0.000 0.440 593 S N 4.881 120.786 115.700 0.341 0.000 2.632 593 S HA 0.698 5.167 4.470 -0.001 0.000 0.289 593 S C -2.784 171.889 174.600 0.122 0.000 1.115 593 S CA -1.160 57.228 58.200 0.314 0.000 0.889 593 S CB 2.477 65.813 63.200 0.227 0.000 1.116 593 S HN 0.524 nan 8.310 nan 0.000 0.486 594 P HA 0.311 nan 4.420 nan 0.000 0.276 594 P C -1.214 175.759 177.300 -0.544 0.000 1.261 594 P CA -0.544 62.182 63.100 -0.624 0.000 0.800 594 P CB 0.427 31.372 31.700 -1.258 0.000 1.066 595 V N 1.596 121.107 119.914 -0.672 0.000 2.318 595 V HA 0.204 4.323 4.120 -0.001 0.000 0.271 595 V C -0.664 175.121 176.094 -0.515 0.000 1.030 595 V CA -0.240 61.760 62.300 -0.500 0.000 0.844 595 V CB -0.468 30.982 31.823 -0.621 0.000 1.015 595 V HN 0.515 nan 8.190 nan 0.000 0.460 596 W N 3.408 124.616 121.300 -0.153 0.000 2.390 596 W HA 0.621 5.281 4.660 -0.001 0.000 0.312 596 W C 0.433 176.866 176.519 -0.143 0.000 1.123 596 W CA -0.404 56.832 57.345 -0.181 0.000 1.202 596 W CB 1.714 31.071 29.460 -0.171 0.000 1.251 596 W HN 0.551 nan 8.180 nan 0.000 0.511 597 S N 1.525 117.234 115.700 0.015 0.000 2.532 597 S HA 0.547 5.016 4.470 -0.001 0.000 0.299 597 S C -1.394 172.958 174.600 -0.414 0.000 1.105 597 S CA -0.988 57.147 58.200 -0.107 0.000 1.018 597 S CB 0.832 63.975 63.200 -0.094 0.000 1.021 597 S HN 0.402 nan 8.310 nan 0.000 0.483 598 W N 2.386 123.433 121.300 -0.421 0.000 2.365 598 W HA 0.526 5.185 4.660 -0.001 0.000 0.316 598 W C 0.512 176.636 176.519 -0.659 0.000 1.164 598 W CA -0.069 57.028 57.345 -0.414 0.000 1.204 598 W CB 0.710 30.044 29.460 -0.210 0.000 1.213 598 W HN 0.629 nan 8.180 nan 0.000 0.539 599 H N 1.713 120.802 119.070 0.032 0.000 2.717 599 H HA 0.107 4.663 4.556 -0.001 0.000 0.366 599 H C -0.766 174.605 175.328 0.071 0.000 1.132 599 H CA -0.843 55.213 56.048 0.013 0.000 1.180 599 H CB 1.833 31.535 29.762 -0.101 0.000 1.678 599 H HN 0.359 nan 8.280 nan 0.000 0.537 600 H N 2.833 122.002 119.070 0.165 0.000 2.969 600 H HA -0.006 4.550 4.556 -0.001 0.000 0.269 600 H C -0.432 174.981 175.328 0.141 0.000 1.223 600 H CA -0.166 55.966 56.048 0.140 0.000 1.400 600 H CB -0.026 29.793 29.762 0.095 0.000 1.500 600 H HN 0.555 nan 8.280 nan 0.000 0.486 601 D N 3.835 124.424 120.400 0.315 0.000 2.349 601 D HA -0.047 4.592 4.640 -0.001 0.000 0.266 601 D C 0.659 177.136 176.300 0.295 0.000 1.293 601 D CA 0.152 54.332 54.000 0.300 0.000 0.926 601 D CB 0.770 41.782 40.800 0.354 0.000 1.090 601 D HN 0.550 nan 8.370 nan 0.000 0.502 602 T N 4.306 119.002 114.554 0.237 0.000 2.881 602 T HA -0.104 4.245 4.350 -0.001 0.000 0.270 602 T C 1.792 176.562 174.700 0.116 0.000 1.068 602 T CA 0.349 62.549 62.100 0.165 0.000 1.131 602 T CB 0.339 69.252 68.868 0.074 0.000 0.871 602 T HN 0.383 nan 8.240 nan 0.000 0.479 603 L N 1.387 122.669 121.223 0.098 0.000 2.071 603 L HA 0.045 4.385 4.340 -0.001 0.000 0.201 603 L C 2.939 179.839 176.870 0.051 0.000 1.076 603 L CA 1.948 56.825 54.840 0.061 0.000 0.755 603 L CB -2.014 40.073 42.059 0.045 0.000 0.915 603 L HN 0.394 nan 8.230 nan 0.000 0.445 604 T N -3.698 110.885 114.554 0.049 0.000 3.113 604 T HA -0.024 4.325 4.350 -0.001 0.000 0.256 604 T C 0.788 175.501 174.700 0.023 0.000 1.131 604 T CA -0.147 61.960 62.100 0.012 0.000 1.074 604 T CB -0.016 68.825 68.868 -0.045 0.000 0.944 604 T HN 0.117 nan 8.240 nan 0.000 0.516 605 K N 1.991 122.431 120.400 0.067 0.000 3.096 605 K HA -0.130 4.190 4.320 -0.001 0.000 0.266 605 K C 0.138 176.728 176.600 -0.018 0.000 1.043 605 K CA 1.322 57.649 56.287 0.067 0.000 0.758 605 K CB -2.817 29.721 32.500 0.063 0.000 1.260 605 K HN 0.899 nan 8.250 nan 0.000 0.481 606 T N -2.849 111.689 114.554 -0.026 0.000 2.906 606 T HA 0.783 5.132 4.350 -0.001 0.000 0.295 606 T C 0.241 174.960 174.700 0.033 0.000 1.075 606 T CA -1.045 61.040 62.100 -0.025 0.000 1.005 606 T CB 2.214 71.073 68.868 -0.016 0.000 1.136 606 T HN 0.137 nan 8.240 nan 0.000 0.498 607 I N 4.390 124.996 120.570 0.059 0.000 2.330 607 I HA 0.393 4.562 4.170 -0.001 0.000 0.286 607 I C 0.060 176.405 176.117 0.381 0.000 1.025 607 I CA -0.746 60.652 61.300 0.163 0.000 1.197 607 I CB 0.381 38.431 38.000 0.083 0.000 1.358 607 I HN 0.751 nan 8.210 nan 0.000 0.467 608 H N 6.743 125.891 119.070 0.130 0.000 2.928 608 H HA 0.627 5.183 4.556 -0.001 0.000 0.371 608 H C -3.248 171.843 175.328 -0.396 0.000 1.186 608 H CA -2.980 53.010 56.048 -0.096 0.000 1.134 608 H CB 1.837 31.557 29.762 -0.071 0.000 1.824 608 H HN 0.177 nan 8.280 nan 0.000 0.554 609 P HA 0.273 nan 4.420 nan 0.000 0.288 609 P C -0.901 176.254 177.300 -0.243 0.000 1.267 609 P CA -0.558 61.964 63.100 -0.962 0.000 0.815 609 P CB 2.089 32.874 31.700 -1.526 0.000 0.989 610 Q N 0.735 120.502 119.800 -0.055 0.000 2.353 610 Q HA 0.611 4.950 4.340 -0.001 0.000 0.268 610 Q C 0.101 176.124 176.000 0.037 0.000 1.045 610 Q CA -0.822 55.033 55.803 0.086 0.000 0.811 610 Q CB 2.470 31.259 28.738 0.084 0.000 1.305 610 Q HN 0.543 nan 8.270 nan 0.000 0.447 611 G N 0.684 109.386 108.800 -0.163 0.000 2.371 611 G HA2 0.343 4.302 3.960 -0.001 0.000 0.326 611 G HA3 0.343 4.302 3.960 -0.001 0.000 0.326 611 G C -0.511 174.113 174.900 -0.461 0.000 1.127 611 G CA -0.368 44.327 45.100 -0.674 0.000 0.885 611 G HN 0.425 nan 8.290 nan 0.000 0.477 612 S N -0.513 114.864 115.700 -0.538 0.000 2.580 612 S HA 0.349 4.819 4.470 -0.001 0.000 0.274 612 S C 1.500 175.819 174.600 -0.468 0.000 1.329 612 S CA 0.284 58.212 58.200 -0.454 0.000 1.036 612 S CB 0.829 63.712 63.200 -0.528 0.000 0.919 612 S HN 0.919 nan 8.310 nan 0.000 0.515 613 T N -0.356 114.005 114.554 -0.322 0.000 3.044 613 T HA 0.175 4.525 4.350 -0.001 0.000 0.260 613 T C 1.047 175.643 174.700 -0.173 0.000 1.019 613 T CA 0.422 62.405 62.100 -0.195 0.000 0.921 613 T CB -0.156 68.659 68.868 -0.088 0.000 1.053 613 T HN 0.701 nan 8.240 nan 0.000 0.533 614 T N -2.186 112.172 114.554 -0.328 0.000 3.009 614 T HA 0.358 4.707 4.350 -0.001 0.000 0.267 614 T C 0.142 174.636 174.700 -0.343 0.000 0.942 614 T CA -0.477 61.497 62.100 -0.210 0.000 0.883 614 T CB 0.349 69.144 68.868 -0.120 0.000 1.192 614 T HN 0.361 nan 8.240 nan 0.000 0.524 615 K N 0.237 120.213 120.400 -0.706 0.000 2.371 615 K HA 0.612 4.932 4.320 -0.001 0.000 0.251 615 K C -1.971 173.988 176.600 -1.069 0.000 0.934 615 K CA -0.808 55.097 56.287 -0.637 0.000 0.798 615 K CB 1.787 33.995 32.500 -0.487 0.000 1.204 615 K HN 0.198 nan 8.250 nan 0.000 0.427 616 Y N 0.662 120.880 120.300 -0.137 0.000 2.581 616 Y HA 0.447 4.997 4.550 -0.001 0.000 0.345 616 Y C -0.334 175.583 175.900 0.028 0.000 1.036 616 Y CA -1.110 56.940 58.100 -0.083 0.000 1.042 616 Y CB 1.847 40.326 38.460 0.032 0.000 1.289 616 Y HN 0.356 nan 8.280 nan 0.000 0.471 617 R N 1.879 122.516 120.500 0.228 0.000 2.294 617 R HA 0.564 4.903 4.340 -0.001 0.000 0.319 617 R C -1.229 175.243 176.300 0.287 0.000 0.984 617 R CA -0.605 55.672 56.100 0.295 0.000 0.861 617 R CB 1.600 32.049 30.300 0.248 0.000 1.104 617 R HN 0.652 nan 8.270 nan 0.000 0.451 618 I N 4.616 125.378 120.570 0.319 0.000 2.377 618 I HA 0.421 4.590 4.170 -0.001 0.000 0.293 618 I C -0.981 175.321 176.117 0.308 0.000 0.987 618 I CA -0.765 60.713 61.300 0.295 0.000 1.185 618 I CB 0.972 39.163 38.000 0.318 0.000 1.341 618 I HN 0.547 nan 8.210 nan 0.000 0.455 619 I N 8.094 128.810 120.570 0.243 0.000 2.509 619 I HA 0.537 4.707 4.170 -0.001 0.000 0.293 619 I C -0.983 175.281 176.117 0.245 0.000 1.020 619 I CA -0.615 60.780 61.300 0.159 0.000 1.088 619 I CB 1.762 39.814 38.000 0.088 0.000 1.267 619 I HN 0.525 nan 8.210 nan 0.000 0.430 620 F N 2.591 122.569 119.950 0.046 0.000 2.713 620 F HA 0.546 5.072 4.527 -0.001 0.000 0.311 620 F C -1.126 174.659 175.800 -0.025 0.000 1.141 620 F CA -1.299 56.705 58.000 0.007 0.000 0.939 620 F CB 1.325 40.318 39.000 -0.012 0.000 1.325 620 F HN 0.252 nan 8.300 nan 0.000 0.453 621 K N 2.133 122.643 120.400 0.183 0.000 2.285 621 K HA 0.739 5.058 4.320 -0.001 0.000 0.286 621 K C -0.717 175.958 176.600 0.125 0.000 1.072 621 K CA -0.310 56.023 56.287 0.077 0.000 0.913 621 K CB 0.805 33.371 32.500 0.110 0.000 1.067 621 K HN 0.946 nan 8.250 nan 0.000 0.479 622 A N 4.675 127.484 122.820 -0.018 0.000 2.306 622 A HA 0.434 4.753 4.320 -0.001 0.000 0.314 622 A C -0.702 177.021 177.584 0.231 0.000 1.164 622 A CA -0.742 51.340 52.037 0.075 0.000 0.822 622 A CB 0.741 19.728 19.000 -0.022 0.000 1.130 622 A HN 0.880 nan 8.150 nan 0.000 0.496 623 R N 2.096 122.838 120.500 0.405 0.000 2.409 623 R HA 0.594 4.933 4.340 -0.001 0.000 0.313 623 R C -1.801 174.754 176.300 0.425 0.000 0.953 623 R CA -0.236 56.091 56.100 0.380 0.000 0.849 623 R CB 1.261 31.772 30.300 0.352 0.000 1.171 623 R HN 0.511 nan 8.270 nan 0.000 0.458 624 V N 5.776 125.883 119.914 0.323 0.000 2.680 624 V HA 0.501 4.621 4.120 -0.001 0.000 0.309 624 V C -2.257 173.703 176.094 -0.223 0.000 1.052 624 V CA -2.456 59.922 62.300 0.130 0.000 0.908 624 V CB 1.858 33.728 31.823 0.080 0.000 1.001 624 V HN 0.770 nan 8.190 nan 0.000 0.431 625 P HA 0.237 nan 4.420 nan 0.000 0.272 625 P C -2.735 174.058 177.300 -0.846 0.000 1.240 625 P CA -1.354 60.826 63.100 -1.533 0.000 0.791 625 P CB -0.186 30.846 31.700 -1.113 0.000 0.978 626 P HA 0.083 nan 4.420 nan 0.000 0.264 626 P C 0.121 177.353 177.300 -0.114 0.000 1.193 626 P CA 0.560 63.456 63.100 -0.340 0.000 0.763 626 P CB -0.191 31.388 31.700 -0.202 0.000 0.810 627 M N 0.232 119.810 119.600 -0.036 0.000 2.210 627 M HA -0.225 4.255 4.480 -0.001 0.000 0.198 627 M C 0.619 177.066 176.300 0.246 0.000 0.319 627 M CA 0.967 56.377 55.300 0.184 0.000 0.399 627 M CB -1.985 30.823 32.600 0.347 0.000 1.227 627 M HN 0.589 nan 8.290 nan 0.000 0.931 628 G N -0.257 108.540 108.800 -0.005 0.000 3.176 628 G HA2 0.938 4.897 3.960 -0.001 0.000 0.272 628 G HA3 0.938 4.897 3.960 -0.001 0.000 0.272 628 G C -1.217 173.777 174.900 0.157 0.000 1.349 628 G CA -0.970 44.098 45.100 -0.053 0.000 0.953 628 G HN 0.195 nan 8.290 nan 0.000 0.559 629 L N -0.604 120.706 121.223 0.145 0.000 2.371 629 L HA 0.805 5.144 4.340 -0.001 0.000 0.262 629 L C -0.307 176.646 176.870 0.139 0.000 1.006 629 L CA -1.078 53.886 54.840 0.206 0.000 0.818 629 L CB 2.487 44.684 42.059 0.230 0.000 1.354 629 L HN 0.744 nan 8.230 nan 0.000 0.415 630 A N 0.636 123.579 122.820 0.205 0.000 2.427 630 A HA 0.782 5.101 4.320 -0.001 0.000 0.298 630 A C -0.786 176.929 177.584 0.219 0.000 1.036 630 A CA -0.437 51.701 52.037 0.169 0.000 0.701 630 A CB 1.678 20.831 19.000 0.254 0.000 1.250 630 A HN 0.563 nan 8.150 nan 0.000 0.412 631 T N 2.175 116.751 114.554 0.036 0.000 2.829 631 T HA 0.654 5.004 4.350 -0.001 0.000 0.282 631 T C -0.996 173.590 174.700 -0.190 0.000 0.990 631 T CA 0.243 62.409 62.100 0.109 0.000 1.028 631 T CB 0.371 69.309 68.868 0.118 0.000 0.951 631 T HN 0.444 nan 8.240 nan 0.000 0.460 632 Y N 0.241 120.615 120.300 0.124 0.000 2.634 632 Y HA 0.680 5.229 4.550 -0.001 0.000 0.340 632 Y C -0.346 175.470 175.900 -0.139 0.000 1.058 632 Y CA -1.163 56.925 58.100 -0.020 0.000 1.081 632 Y CB 1.707 40.168 38.460 0.001 0.000 1.295 632 Y HN 0.309 nan 8.280 nan 0.000 0.487 633 V N 2.941 122.814 119.914 -0.068 0.000 2.588 633 V HA 0.437 4.556 4.120 -0.001 0.000 0.304 633 V C -0.849 175.189 176.094 -0.094 0.000 1.042 633 V CA -0.955 61.246 62.300 -0.165 0.000 0.877 633 V CB 1.856 33.511 31.823 -0.280 0.000 0.996 633 V HN 0.494 nan 8.190 nan 0.000 0.425 634 L N 3.924 125.122 121.223 -0.043 0.000 2.296 634 L HA 0.678 5.018 4.340 -0.001 0.000 0.286 634 L C -0.112 176.776 176.870 0.031 0.000 1.023 634 L CA -0.133 54.697 54.840 -0.017 0.000 0.812 634 L CB 1.836 43.896 42.059 0.002 0.000 1.223 634 L HN 0.611 nan 8.230 nan 0.000 0.421 635 T N 3.739 118.314 114.554 0.036 0.000 2.841 635 T HA 0.487 4.836 4.350 -0.001 0.000 0.283 635 T C -0.280 174.470 174.700 0.083 0.000 1.000 635 T CA -0.383 61.752 62.100 0.058 0.000 0.977 635 T CB 2.442 71.335 68.868 0.042 0.000 0.979 635 T HN 0.391 nan 8.240 nan 0.000 0.446 636 I N 2.800 123.427 120.570 0.096 0.000 2.577 636 I HA 0.631 4.800 4.170 -0.001 0.000 0.300 636 I C 0.068 176.250 176.117 0.109 0.000 0.990 636 I CA -0.050 61.324 61.300 0.122 0.000 1.283 636 I CB 0.958 39.034 38.000 0.126 0.000 1.411 636 I HN 0.830 nan 8.210 nan 0.000 0.515 637 S N 2.323 118.103 115.700 0.134 0.000 2.661 637 S HA 0.341 4.810 4.470 -0.001 0.000 0.285 637 S C -0.025 174.608 174.600 0.056 0.000 1.138 637 S CA -0.317 57.925 58.200 0.071 0.000 0.855 637 S CB 1.540 64.761 63.200 0.035 0.000 1.136 637 S HN 0.742 nan 8.310 nan 0.000 0.484 638 D N 0.862 121.243 120.400 -0.032 0.000 2.183 638 D HA 0.071 4.710 4.640 -0.001 0.000 0.203 638 D C 1.010 177.097 176.300 -0.356 0.000 0.969 638 D CA 1.196 55.148 54.000 -0.079 0.000 0.842 638 D CB -0.162 40.596 40.800 -0.070 0.000 0.957 638 D HN 0.665 nan 8.370 nan 0.000 0.484 639 S N -1.710 113.686 115.700 -0.507 0.000 2.740 639 S HA 0.410 4.879 4.470 -0.001 0.000 0.300 639 S C -0.599 173.520 174.600 -0.802 0.000 1.147 639 S CA -1.298 56.332 58.200 -0.949 0.000 0.871 639 S CB 1.278 64.179 63.200 -0.499 0.000 1.173 639 S HN -0.026 nan 8.310 nan 0.000 0.510 640 K N 2.606 122.590 120.400 -0.693 0.000 2.437 640 K HA 0.144 4.463 4.320 -0.001 0.000 0.277 640 K C -2.089 174.512 176.600 0.002 0.000 1.073 640 K CA -0.600 55.639 56.287 -0.081 0.000 1.105 640 K CB -0.435 32.081 32.500 0.025 0.000 0.881 640 K HN 0.463 nan 8.250 nan 0.000 0.475 641 P HA -0.024 nan 4.420 nan 0.000 0.274 641 P C 0.346 177.655 177.300 0.014 0.000 1.231 641 P CA -0.126 63.006 63.100 0.053 0.000 0.790 641 P CB 0.980 32.739 31.700 0.098 0.000 0.951 642 E N 1.359 121.516 120.200 -0.070 0.000 2.085 642 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 642 E C 0.723 177.132 176.600 -0.318 0.000 0.994 642 E CA 1.131 57.396 56.400 -0.226 0.000 0.801 642 E CB -0.085 29.393 29.700 -0.370 0.000 0.743 642 E HN 0.489 nan 8.360 nan 0.000 0.453 643 H N -0.543 118.536 119.070 0.015 0.000 2.519 643 H HA 0.206 4.761 4.556 -0.001 0.000 0.289 643 H C -0.366 174.957 175.328 -0.008 0.000 1.040 643 H CA 0.297 56.349 56.048 0.007 0.000 1.165 643 H CB 0.571 30.335 29.762 0.004 0.000 1.462 643 H HN -0.041 nan 8.280 nan 0.000 0.555 644 T N 1.460 116.036 114.554 0.038 0.000 2.812 644 T HA 0.311 4.661 4.350 -0.001 0.000 0.282 644 T C 0.297 174.879 174.700 -0.198 0.000 0.990 644 T CA -0.723 61.332 62.100 -0.074 0.000 0.960 644 T CB 2.097 70.913 68.868 -0.086 0.000 0.948 644 T HN 0.267 nan 8.240 nan 0.000 0.438 645 S N 2.383 117.929 115.700 -0.255 0.000 2.681 645 S HA 0.778 5.247 4.470 -0.001 0.000 0.299 645 S C -1.361 172.929 174.600 -0.517 0.000 1.113 645 S CA -0.819 57.251 58.200 -0.216 0.000 1.013 645 S CB 0.845 64.023 63.200 -0.037 0.000 1.076 645 S HN 0.563 nan 8.310 nan 0.000 0.534 646 Y N 0.124 120.432 120.300 0.014 0.000 2.376 646 Y HA 0.653 5.202 4.550 -0.001 0.000 0.340 646 Y C 0.611 176.560 175.900 0.082 0.000 0.965 646 Y CA -0.805 57.289 58.100 -0.010 0.000 1.078 646 Y CB 1.566 39.881 38.460 -0.241 0.000 1.193 646 Y HN 1.030 nan 8.280 nan 0.000 0.452 647 A N 2.047 125.052 122.820 0.309 0.000 2.445 647 A HA 0.490 4.810 4.320 -0.001 0.000 0.242 647 A C 0.294 178.078 177.584 0.333 0.000 1.075 647 A CA -0.286 51.922 52.037 0.285 0.000 0.777 647 A CB -0.072 19.095 19.000 0.277 0.000 1.013 647 A HN 0.770 nan 8.150 nan 0.000 0.493 648 S N 1.978 117.808 115.700 0.218 0.000 2.646 648 S HA 0.564 5.034 4.470 -0.001 0.000 0.276 648 S C -0.387 174.311 174.600 0.163 0.000 1.222 648 S CA -0.906 57.406 58.200 0.187 0.000 1.014 648 S CB 0.841 64.107 63.200 0.110 0.000 0.991 648 S HN 0.686 nan 8.310 nan 0.000 0.533 649 N N 0.575 119.351 118.700 0.127 0.000 2.295 649 N HA 0.481 5.221 4.740 -0.001 0.000 0.293 649 N C -1.994 173.459 175.510 -0.095 0.000 1.040 649 N CA -0.520 52.556 53.050 0.045 0.000 0.840 649 N CB 2.031 40.632 38.487 0.191 0.000 1.468 649 N HN 0.587 nan 8.380 nan 0.000 0.478 650 L N 2.781 123.899 121.223 -0.174 0.000 2.372 650 L HA 0.464 4.803 4.340 -0.001 0.000 0.274 650 L C -1.484 175.217 176.870 -0.281 0.000 0.988 650 L CA -0.585 54.124 54.840 -0.219 0.000 0.833 650 L CB 1.431 43.417 42.059 -0.123 0.000 1.236 650 L HN 0.412 nan 8.230 nan 0.000 0.410 651 L N 6.795 127.795 121.223 -0.371 0.000 2.262 651 L HA 0.452 4.791 4.340 -0.001 0.000 0.288 651 L C -1.118 175.708 176.870 -0.074 0.000 1.035 651 L CA -0.286 54.392 54.840 -0.270 0.000 0.820 651 L CB 0.995 42.871 42.059 -0.305 0.000 1.204 651 L HN 0.657 nan 8.230 nan 0.000 0.424 652 L N 7.109 128.307 121.223 -0.042 0.000 2.257 652 L HA 0.590 4.929 4.340 -0.001 0.000 0.290 652 L C -0.088 176.809 176.870 0.044 0.000 1.044 652 L CA -0.487 54.362 54.840 0.016 0.000 0.810 652 L CB 1.005 43.064 42.059 0.001 0.000 1.193 652 L HN 0.687 nan 8.230 nan 0.000 0.425 653 R N 2.159 122.697 120.500 0.064 0.000 3.176 653 R HA 0.338 4.678 4.340 -0.001 0.000 0.284 653 R C -1.854 174.474 176.300 0.046 0.000 0.985 653 R CA -1.019 55.112 56.100 0.053 0.000 0.853 653 R CB 0.860 31.191 30.300 0.052 0.000 1.309 653 R HN 0.181 nan 8.270 nan 0.000 0.528 654 K N 1.614 122.028 120.400 0.024 0.000 2.154 654 K HA 0.259 4.579 4.320 -0.001 0.000 0.264 654 K C -0.489 176.104 176.600 -0.012 0.000 1.008 654 K CA -0.576 55.717 56.287 0.009 0.000 0.937 654 K CB 0.450 32.953 32.500 0.005 0.000 1.002 654 K HN 0.776 nan 8.250 nan 0.000 0.469 655 N N 0.835 119.518 118.700 -0.027 0.000 2.696 655 N HA -0.117 4.622 4.740 -0.001 0.000 0.256 655 N C -2.417 173.045 175.510 -0.079 0.000 1.031 655 N CA 0.416 53.433 53.050 -0.054 0.000 0.730 655 N CB -1.448 37.009 38.487 -0.051 0.000 0.894 655 N HN 0.531 nan 8.380 nan 0.000 0.544 656 P HA 0.315 nan 4.420 nan 0.000 0.279 656 P C -0.013 177.126 177.300 -0.268 0.000 1.252 656 P CA -0.050 62.965 63.100 -0.142 0.000 0.811 656 P CB 1.184 32.813 31.700 -0.117 0.000 1.035 657 T N -2.835 111.568 114.554 -0.252 0.000 2.916 657 T HA 0.472 4.822 4.350 -0.001 0.000 0.292 657 T C 0.249 174.795 174.700 -0.257 0.000 1.055 657 T CA -0.740 61.221 62.100 -0.231 0.000 1.009 657 T CB 0.644 69.450 68.868 -0.105 0.000 1.118 657 T HN 0.482 nan 8.240 nan 0.000 0.497 658 S N 1.217 116.803 115.700 -0.190 0.000 2.559 658 S HA 0.304 4.773 4.470 -0.001 0.000 0.282 658 S C -0.102 174.612 174.600 0.189 0.000 1.336 658 S CA -0.667 57.521 58.200 -0.020 0.000 1.037 658 S CB -0.374 62.828 63.200 0.003 0.000 0.853 658 S HN 0.709 nan 8.310 nan 0.000 0.523 659 L N 2.585 124.020 121.223 0.353 0.000 2.481 659 L HA 0.374 4.713 4.340 -0.001 0.000 0.255 659 L C -2.245 174.733 176.870 0.181 0.000 1.192 659 L CA -1.574 53.439 54.840 0.288 0.000 0.924 659 L CB 1.615 43.918 42.059 0.407 0.000 1.179 659 L HN 0.614 nan 8.230 nan 0.000 0.491 660 P HA 0.179 nan 4.420 nan 0.000 0.272 660 P C -0.229 177.071 177.300 0.001 0.000 1.223 660 P CA -0.183 62.955 63.100 0.063 0.000 0.784 660 P CB 1.790 33.517 31.700 0.045 0.000 0.923 661 L N 1.177 122.411 121.223 0.018 0.000 3.291 661 L HA 0.288 4.628 4.340 -0.001 0.000 0.307 661 L C 1.424 178.366 176.870 0.119 0.000 1.303 661 L CA -0.210 54.620 54.840 -0.016 0.000 0.949 661 L CB 0.152 42.171 42.059 -0.065 0.000 1.375 661 L HN 0.732 nan 8.230 nan 0.000 0.596 662 G N 1.032 109.878 108.800 0.077 0.000 2.660 662 G HA2 -0.414 3.545 3.960 -0.001 0.000 0.321 662 G HA3 -0.414 3.545 3.960 -0.001 0.000 0.321 662 G C 0.616 175.572 174.900 0.094 0.000 1.246 662 G CA 0.846 46.009 45.100 0.106 0.000 1.000 662 G HN 0.484 nan 8.290 nan 0.000 0.550 663 Q N -0.528 119.314 119.800 0.069 0.000 2.472 663 Q HA 0.164 4.503 4.340 -0.001 0.000 0.208 663 Q C 0.782 176.604 176.000 -0.297 0.000 0.958 663 Q CA 0.178 55.894 55.803 -0.146 0.000 0.932 663 Q CB 0.261 28.806 28.738 -0.322 0.000 1.007 663 Q HN 0.495 nan 8.270 nan 0.000 0.508 664 Y N 2.846 122.958 120.300 -0.313 0.000 2.865 664 Y HA -0.088 4.461 4.550 -0.001 0.000 0.338 664 Y C -1.572 174.183 175.900 -0.241 0.000 1.269 664 Y CA -1.481 56.430 58.100 -0.316 0.000 1.585 664 Y CB 0.599 39.032 38.460 -0.046 0.000 1.224 664 Y HN 0.031 nan 8.280 nan 0.000 0.554 665 P HA -0.209 nan 4.420 nan 0.000 0.216 665 P C -0.463 176.653 177.300 -0.306 0.000 1.154 665 P CA 1.578 64.340 63.100 -0.565 0.000 0.865 665 P CB 0.234 31.336 31.700 -0.997 0.000 0.789 666 E N -0.027 120.001 120.200 -0.285 0.000 2.179 666 E HA 0.118 4.468 4.350 -0.001 0.000 0.275 666 E C -0.690 176.024 176.600 0.191 0.000 0.945 666 E CA -0.815 55.590 56.400 0.008 0.000 0.792 666 E CB 0.709 30.446 29.700 0.063 0.000 1.125 666 E HN -0.028 nan 8.360 nan 0.000 0.397 667 D N 2.536 123.014 120.400 0.131 0.000 2.350 667 D HA 0.086 4.726 4.640 -0.001 0.000 0.249 667 D C -0.087 176.291 176.300 0.129 0.000 1.119 667 D CA -0.163 53.924 54.000 0.144 0.000 0.886 667 D CB 1.449 42.318 40.800 0.116 0.000 1.195 667 D HN 0.145 nan 8.370 nan 0.000 0.437 668 V N 2.735 122.714 119.914 0.109 0.000 2.740 668 V HA -0.006 4.114 4.120 -0.001 0.000 0.303 668 V C 0.755 176.727 176.094 -0.203 0.000 1.054 668 V CA 0.216 62.485 62.300 -0.051 0.000 1.106 668 V CB 0.430 32.188 31.823 -0.107 0.000 0.957 668 V HN 0.351 nan 8.190 nan 0.000 0.486 669 K N 3.418 123.627 120.400 -0.319 0.000 2.156 669 K HA 0.721 5.041 4.320 -0.001 0.000 0.250 669 K C -1.244 175.036 176.600 -0.535 0.000 0.955 669 K CA -0.328 55.822 56.287 -0.229 0.000 0.855 669 K CB 1.613 34.072 32.500 -0.068 0.000 1.101 669 K HN 0.413 nan 8.250 nan 0.000 0.434 670 F N -0.492 119.469 119.950 0.018 0.000 2.631 670 F HA 0.780 5.306 4.527 -0.001 0.000 0.328 670 F C 0.530 176.331 175.800 0.002 0.000 1.067 670 F CA -0.603 57.399 58.000 0.003 0.000 0.969 670 F CB 2.558 41.559 39.000 0.003 0.000 1.332 670 F HN 0.628 nan 8.300 nan 0.000 0.490 671 G N -0.026 108.892 108.800 0.197 0.000 2.368 671 G HA2 0.348 4.307 3.960 -0.001 0.000 0.293 671 G HA3 0.348 4.307 3.960 -0.001 0.000 0.293 671 G C -2.320 172.628 174.900 0.080 0.000 1.467 671 G CA -0.968 44.197 45.100 0.108 0.000 0.804 671 G HN 0.368 nan 8.290 nan 0.000 0.535 672 D N 0.775 121.209 120.400 0.057 0.000 2.339 672 D HA 0.430 5.069 4.640 -0.001 0.000 0.245 672 D C -2.010 174.313 176.300 0.039 0.000 1.115 672 D CA -0.654 53.373 54.000 0.044 0.000 0.917 672 D CB 0.991 41.811 40.800 0.035 0.000 1.192 672 D HN 0.037 nan 8.370 nan 0.000 0.428 673 P HA 0.079 nan 4.420 nan 0.000 0.265 673 P C -0.398 176.923 177.300 0.036 0.000 1.187 673 P CA 0.385 63.507 63.100 0.036 0.000 0.766 673 P CB 0.429 32.152 31.700 0.038 0.000 0.820 674 R N 0.289 120.811 120.500 0.036 0.000 2.712 674 R HA 0.407 4.746 4.340 -0.001 0.000 0.272 674 R C -1.203 175.125 176.300 0.048 0.000 1.032 674 R CA -1.016 55.107 56.100 0.039 0.000 0.874 674 R CB 1.059 31.378 30.300 0.033 0.000 1.256 674 R HN 0.226 nan 8.270 nan 0.000 0.468 675 E N 1.839 122.071 120.200 0.052 0.000 2.383 675 E HA 0.290 4.640 4.350 -0.001 0.000 0.264 675 E C 0.020 176.661 176.600 0.069 0.000 1.050 675 E CA -0.145 56.296 56.400 0.069 0.000 0.896 675 E CB 1.002 30.733 29.700 0.050 0.000 0.982 675 E HN 0.471 nan 8.360 nan 0.000 0.424 676 I N -2.156 118.481 120.570 0.112 0.000 2.969 676 I HA 0.614 4.783 4.170 -0.001 0.000 0.307 676 I C -0.755 175.473 176.117 0.185 0.000 1.149 676 I CA -0.862 60.502 61.300 0.106 0.000 1.008 676 I CB 2.431 40.463 38.000 0.054 0.000 1.232 676 I HN 0.283 nan 8.210 nan 0.000 0.435 677 S N 3.889 119.673 115.700 0.139 0.000 2.536 677 S HA 0.848 5.317 4.470 -0.001 0.000 0.287 677 S C -1.168 173.525 174.600 0.155 0.000 1.101 677 S CA -0.561 57.731 58.200 0.153 0.000 0.950 677 S CB 1.333 64.573 63.200 0.066 0.000 1.056 677 S HN 0.647 nan 8.310 nan 0.000 0.481 678 L N 3.214 124.557 121.223 0.200 0.000 2.424 678 L HA 0.704 5.044 4.340 -0.001 0.000 0.258 678 L C -0.484 176.468 176.870 0.136 0.000 0.995 678 L CA -0.766 54.169 54.840 0.157 0.000 0.821 678 L CB 2.464 44.627 42.059 0.172 0.000 1.383 678 L HN 0.679 nan 8.230 nan 0.000 0.410 679 R N 1.615 122.176 120.500 0.101 0.000 2.508 679 R HA 0.622 4.961 4.340 -0.001 0.000 0.283 679 R C -2.091 174.252 176.300 0.072 0.000 1.120 679 R CA -0.453 55.697 56.100 0.084 0.000 0.958 679 R CB 2.206 32.550 30.300 0.072 0.000 1.215 679 R HN 0.395 nan 8.270 nan 0.000 0.427 680 V N 4.555 124.510 119.914 0.069 0.000 2.435 680 V HA 0.590 4.709 4.120 -0.001 0.000 0.290 680 V C 1.104 177.229 176.094 0.052 0.000 1.030 680 V CA 0.587 62.924 62.300 0.061 0.000 0.881 680 V CB 1.134 32.995 31.823 0.064 0.000 0.983 680 V HN 1.103 nan 8.190 nan 0.000 0.445 681 G N 4.934 113.763 108.800 0.048 0.000 2.594 681 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.297 681 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.297 681 G C 0.454 175.376 174.900 0.037 0.000 1.273 681 G CA 0.825 45.950 45.100 0.042 0.000 0.974 681 G HN 0.777 nan 8.290 nan 0.000 0.552 682 N N 1.564 120.282 118.700 0.031 0.000 2.276 682 N HA 0.337 5.077 4.740 -0.001 0.000 0.212 682 N C 1.329 176.852 175.510 0.023 0.000 1.127 682 N CA 0.091 53.156 53.050 0.025 0.000 0.834 682 N CB 0.356 38.854 38.487 0.020 0.000 1.014 682 N HN 0.757 nan 8.380 nan 0.000 0.491 683 G N 2.159 110.976 108.800 0.029 0.000 2.486 683 G HA2 0.118 4.078 3.960 -0.001 0.000 0.272 683 G HA3 0.118 4.078 3.960 -0.001 0.000 0.272 683 G C -2.218 172.697 174.900 0.025 0.000 1.426 683 G CA -0.547 44.569 45.100 0.027 0.000 1.058 683 G HN -0.038 nan 8.290 nan 0.000 0.531 684 P HA 0.225 nan 4.420 nan 0.000 0.274 684 P C -0.658 176.666 177.300 0.040 0.000 1.246 684 P CA -0.008 63.104 63.100 0.020 0.000 0.795 684 P CB 1.016 32.721 31.700 0.008 0.000 1.006 685 T N 2.060 116.642 114.554 0.045 0.000 2.758 685 T HA 0.478 4.827 4.350 -0.001 0.000 0.285 685 T C 0.009 174.742 174.700 0.056 0.000 0.981 685 T CA -0.379 61.766 62.100 0.075 0.000 0.965 685 T CB 0.118 69.051 68.868 0.109 0.000 0.927 685 T HN 0.179 nan 8.240 nan 0.000 0.448 686 L N 2.581 123.831 121.223 0.045 0.000 2.317 686 L HA 0.820 5.160 4.340 -0.001 0.000 0.281 686 L C 0.170 176.964 176.870 -0.126 0.000 1.024 686 L CA -1.188 53.593 54.840 -0.099 0.000 0.810 686 L CB 1.524 43.497 42.059 -0.144 0.000 1.240 686 L HN 0.629 nan 8.230 nan 0.000 0.427 687 A N 2.900 125.527 122.820 -0.323 0.000 2.330 687 A HA 0.870 5.189 4.320 -0.001 0.000 0.327 687 A C -1.192 176.146 177.584 -0.411 0.000 1.155 687 A CA -0.309 51.600 52.037 -0.213 0.000 0.803 687 A CB 0.777 19.644 19.000 -0.222 0.000 1.208 687 A HN 0.487 nan 8.150 nan 0.000 0.477 688 F N 0.766 120.697 119.950 -0.032 0.000 2.561 688 F HA 0.590 5.117 4.527 -0.001 0.000 0.321 688 F C 1.079 176.879 175.800 -0.000 0.000 1.065 688 F CA -0.382 57.617 58.000 -0.003 0.000 0.934 688 F CB 2.068 41.086 39.000 0.029 0.000 1.215 688 F HN 0.662 nan 8.300 nan 0.000 0.471 689 S N -0.306 115.516 115.700 0.203 0.000 2.634 689 S HA 0.162 4.631 4.470 -0.001 0.000 0.261 689 S C 0.864 175.547 174.600 0.139 0.000 1.271 689 S CA -0.200 58.081 58.200 0.136 0.000 0.985 689 S CB 0.688 63.965 63.200 0.128 0.000 0.968 689 S HN 0.819 nan 8.310 nan 0.000 0.568 690 E N -0.497 119.761 120.200 0.097 0.000 2.515 690 E HA -0.146 4.203 4.350 -0.001 0.000 0.201 690 E C 1.161 177.808 176.600 0.078 0.000 1.071 690 E CA 0.749 57.195 56.400 0.077 0.000 0.880 690 E CB -0.436 29.300 29.700 0.059 0.000 0.828 690 E HN 0.750 nan 8.360 nan 0.000 0.540 691 Q N 0.072 119.930 119.800 0.097 0.000 2.280 691 Q HA 0.194 4.533 4.340 -0.001 0.000 0.201 691 Q C 0.740 176.808 176.000 0.114 0.000 0.890 691 Q CA 0.310 56.168 55.803 0.092 0.000 0.947 691 Q CB 1.009 29.803 28.738 0.094 0.000 1.081 691 Q HN 0.483 nan 8.270 nan 0.000 0.502 692 G N 0.856 109.738 108.800 0.136 0.000 2.160 692 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.251 692 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.251 692 G C -0.235 174.862 174.900 0.329 0.000 1.008 692 G CA -0.001 45.187 45.100 0.147 0.000 0.724 692 G HN 0.267 nan 8.290 nan 0.000 0.514 693 L N -0.419 121.026 121.223 0.369 0.000 2.325 693 L HA 0.671 5.011 4.340 -0.001 0.000 0.278 693 L C 0.797 177.885 176.870 0.363 0.000 1.023 693 L CA -1.440 53.660 54.840 0.432 0.000 0.811 693 L CB 1.559 43.792 42.059 0.291 0.000 1.249 693 L HN 0.132 nan 8.230 nan 0.000 0.431 694 L N 2.784 124.200 121.223 0.321 0.000 2.525 694 L HA -0.045 4.295 4.340 -0.001 0.000 0.278 694 L C 0.860 177.575 176.870 -0.258 0.000 1.218 694 L CA 1.087 55.831 54.840 -0.161 0.000 0.878 694 L CB 0.157 42.190 42.059 -0.043 0.000 1.127 694 L HN 0.730 nan 8.230 nan 0.000 0.492 695 K N 1.334 121.450 120.400 -0.472 0.000 2.504 695 K HA 0.255 4.574 4.320 -0.001 0.000 0.203 695 K C -0.381 175.775 176.600 -0.740 0.000 1.350 695 K CA 0.522 56.359 56.287 -0.751 0.000 0.953 695 K CB 0.492 32.729 32.500 -0.437 0.000 1.243 695 K HN 0.800 nan 8.250 nan 0.000 0.534 696 S N -0.322 115.101 115.700 -0.462 0.000 2.565 696 S HA 0.523 4.993 4.470 -0.001 0.000 0.269 696 S C -1.022 173.448 174.600 -0.217 0.000 1.153 696 S CA -1.015 57.008 58.200 -0.294 0.000 0.835 696 S CB 1.357 64.445 63.200 -0.186 0.000 1.122 696 S HN 0.099 nan 8.310 nan 0.000 0.462 697 I N 1.333 121.831 120.570 -0.121 0.000 2.499 697 I HA 0.445 4.614 4.170 -0.001 0.000 0.288 697 I C -0.641 175.471 176.117 -0.009 0.000 1.048 697 I CA -0.361 60.894 61.300 -0.075 0.000 1.062 697 I CB 2.171 40.111 38.000 -0.099 0.000 1.238 697 I HN 0.719 nan 8.210 nan 0.000 0.426 698 Q N 6.004 125.819 119.800 0.026 0.000 2.394 698 Q HA 0.409 4.749 4.340 -0.001 0.000 0.259 698 Q C 0.267 176.248 176.000 -0.031 0.000 1.021 698 Q CA -0.494 55.295 55.803 -0.024 0.000 0.805 698 Q CB 1.597 30.304 28.738 -0.051 0.000 1.226 698 Q HN 0.768 nan 8.270 nan 0.000 0.476 699 L N 1.803 122.999 121.223 -0.045 0.000 2.046 699 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 699 L C 1.216 178.069 176.870 -0.030 0.000 1.077 699 L CA 1.358 56.177 54.840 -0.034 0.000 0.747 699 L CB -0.433 41.603 42.059 -0.039 0.000 0.896 699 L HN 0.639 nan 8.230 nan 0.000 0.432 700 T N -5.786 108.742 114.554 -0.044 0.000 2.883 700 T HA 0.240 4.590 4.350 -0.001 0.000 0.296 700 T C 0.349 175.020 174.700 -0.049 0.000 1.117 700 T CA -0.824 61.254 62.100 -0.036 0.000 1.006 700 T CB 1.821 70.669 68.868 -0.033 0.000 1.191 700 T HN 0.016 nan 8.240 nan 0.000 0.508 701 Q N 0.190 119.971 119.800 -0.032 0.000 2.234 701 Q HA -0.119 4.220 4.340 -0.001 0.000 0.206 701 Q C 1.121 177.090 176.000 -0.052 0.000 0.980 701 Q CA 1.719 57.503 55.803 -0.032 0.000 0.869 701 Q CB -0.095 28.637 28.738 -0.011 0.000 0.912 701 Q HN 0.666 nan 8.270 nan 0.000 0.436 702 D N 0.875 121.245 120.400 -0.050 0.000 2.144 702 D HA -0.051 4.588 4.640 -0.001 0.000 0.207 702 D C 1.118 177.372 176.300 -0.076 0.000 0.970 702 D CA 0.747 54.717 54.000 -0.051 0.000 0.853 702 D CB -0.265 40.514 40.800 -0.036 0.000 1.007 702 D HN 0.149 nan 8.370 nan 0.000 0.469 703 S N 2.394 118.045 115.700 -0.080 0.000 2.553 703 S HA 0.083 4.553 4.470 -0.001 0.000 0.271 703 S C -2.154 172.350 174.600 -0.160 0.000 1.362 703 S CA -0.838 57.305 58.200 -0.094 0.000 1.010 703 S CB 0.357 63.509 63.200 -0.080 0.000 0.865 703 S HN 0.005 nan 8.310 nan 0.000 0.543 704 P HA 0.250 nan 4.420 nan 0.000 0.281 704 P C -0.864 176.301 177.300 -0.225 0.000 1.281 704 P CA -0.579 62.410 63.100 -0.185 0.000 0.811 704 P CB 0.409 32.069 31.700 -0.067 0.000 1.154 705 H N -0.202 118.855 119.070 -0.022 0.000 2.969 705 H HA 0.178 4.733 4.556 -0.001 0.000 0.269 705 H C -0.108 175.186 175.328 -0.057 0.000 1.223 705 H CA -0.285 55.736 56.048 -0.045 0.000 1.400 705 H CB -0.506 29.230 29.762 -0.043 0.000 1.500 705 H HN 0.053 nan 8.280 nan 0.000 0.486 706 V N 6.739 126.662 119.914 0.014 0.000 2.485 706 V HA 0.023 4.143 4.120 -0.001 0.000 0.287 706 V C -1.839 174.202 176.094 -0.089 0.000 1.022 706 V CA -1.266 61.015 62.300 -0.032 0.000 1.067 706 V CB 0.516 32.310 31.823 -0.048 0.000 0.967 706 V HN 0.513 nan 8.190 nan 0.000 0.479 707 P HA 0.179 nan 4.420 nan 0.000 0.265 707 P C -0.811 176.385 177.300 -0.175 0.000 1.222 707 P CA 0.281 63.263 63.100 -0.197 0.000 0.767 707 P CB 0.427 31.855 31.700 -0.454 0.000 0.801 708 V N 5.109 124.892 119.914 -0.218 0.000 2.498 708 V HA 0.222 4.341 4.120 -0.001 0.000 0.283 708 V C -0.373 175.527 176.094 -0.323 0.000 1.015 708 V CA -0.492 61.671 62.300 -0.229 0.000 0.867 708 V CB 0.889 32.548 31.823 -0.274 0.000 1.025 708 V HN 0.576 nan 8.190 nan 0.000 0.441 709 H N 4.314 123.236 119.070 -0.246 0.000 2.466 709 H HA 0.487 5.042 4.556 -0.001 0.000 0.338 709 H C -1.042 174.180 175.328 -0.176 0.000 1.091 709 H CA -0.408 55.538 56.048 -0.169 0.000 1.207 709 H CB 2.192 31.894 29.762 -0.100 0.000 1.466 709 H HN 0.468 nan 8.280 nan 0.000 0.493 710 F N 2.227 122.168 119.950 -0.016 0.000 2.385 710 F HA 0.302 4.829 4.527 -0.001 0.000 0.336 710 F C 0.417 176.137 175.800 -0.133 0.000 1.100 710 F CA -0.281 57.646 58.000 -0.122 0.000 1.116 710 F CB 1.336 40.276 39.000 -0.100 0.000 1.166 710 F HN 0.303 nan 8.300 nan 0.000 0.511 711 K N 3.821 124.214 120.400 -0.013 0.000 2.542 711 K HA 0.433 4.753 4.320 -0.001 0.000 0.259 711 K C -2.078 174.352 176.600 -0.283 0.000 0.932 711 K CA -0.593 55.657 56.287 -0.061 0.000 0.820 711 K CB 1.531 34.027 32.500 -0.006 0.000 1.345 711 K HN 0.458 nan 8.250 nan 0.000 0.432 712 F N 3.834 123.757 119.950 -0.045 0.000 2.458 712 F HA 0.491 5.017 4.527 -0.001 0.000 0.336 712 F C -0.393 175.386 175.800 -0.035 0.000 1.114 712 F CA -0.586 57.383 58.000 -0.052 0.000 0.987 712 F CB 1.266 40.212 39.000 -0.088 0.000 1.130 712 F HN 0.266 nan 8.300 nan 0.000 0.458 713 L N 2.657 123.943 121.223 0.104 0.000 2.250 713 L HA 0.661 5.000 4.340 -0.001 0.000 0.252 713 L C -1.110 175.771 176.870 0.018 0.000 1.054 713 L CA -1.006 53.843 54.840 0.015 0.000 0.856 713 L CB 2.181 44.186 42.059 -0.090 0.000 1.443 713 L HN 0.517 nan 8.230 nan 0.000 0.427 714 K N -0.729 119.635 120.400 -0.061 0.000 2.464 714 K HA 0.645 4.964 4.320 -0.001 0.000 0.253 714 K C -1.859 174.687 176.600 -0.090 0.000 0.933 714 K CA -0.788 55.495 56.287 -0.006 0.000 0.801 714 K CB 1.710 34.237 32.500 0.044 0.000 1.271 714 K HN 0.286 nan 8.250 nan 0.000 0.430 715 Y N 0.525 120.888 120.300 0.106 0.000 2.420 715 Y HA 0.556 5.106 4.550 -0.001 0.000 0.334 715 Y C 0.933 176.893 175.900 0.100 0.000 1.094 715 Y CA -0.120 58.055 58.100 0.124 0.000 1.126 715 Y CB 2.366 40.966 38.460 0.233 0.000 1.217 715 Y HN 0.925 nan 8.280 nan 0.000 0.462 716 G N 0.540 109.486 108.800 0.242 0.000 2.938 716 G HA2 0.630 4.589 3.960 -0.001 0.000 0.258 716 G HA3 0.630 4.589 3.960 -0.001 0.000 0.258 716 G C -1.482 173.496 174.900 0.130 0.000 1.356 716 G CA -0.730 44.457 45.100 0.145 0.000 1.052 716 G HN 0.429 nan 8.290 nan 0.000 0.550 717 V N -0.119 119.838 119.914 0.072 0.000 2.864 717 V HA 0.466 4.585 4.120 -0.001 0.000 0.314 717 V C 0.009 176.107 176.094 0.006 0.000 1.073 717 V CA -0.878 61.449 62.300 0.044 0.000 0.956 717 V CB 1.890 33.736 31.823 0.039 0.000 1.023 717 V HN 0.675 nan 8.190 nan 0.000 0.435 718 R N 1.383 121.878 120.500 -0.008 0.000 2.491 718 R HA 0.187 4.526 4.340 -0.001 0.000 0.283 718 R C 1.200 177.452 176.300 -0.081 0.000 1.072 718 R CA 0.415 56.496 56.100 -0.033 0.000 1.048 718 R CB 0.589 30.882 30.300 -0.011 0.000 0.983 718 R HN 0.916 nan 8.270 nan 0.000 0.450 719 S N 1.287 116.874 115.700 -0.188 0.000 2.528 719 S HA 0.019 4.488 4.470 -0.001 0.000 0.219 719 S C 0.399 174.729 174.600 -0.450 0.000 0.985 719 S CA 0.190 58.184 58.200 -0.343 0.000 0.914 719 S CB 0.099 63.005 63.200 -0.490 0.000 0.776 719 S HN 0.541 nan 8.310 nan 0.000 0.526 720 H N 0.621 119.694 119.070 0.005 0.000 2.637 720 H HA 0.619 5.174 4.556 -0.001 0.000 0.363 720 H C 0.994 176.322 175.328 -0.000 0.000 1.131 720 H CA -0.049 56.000 56.048 0.002 0.000 1.183 720 H CB 1.175 30.938 29.762 0.002 0.000 1.637 720 H HN 0.400 nan 8.280 nan 0.000 0.531 721 G N 2.582 111.456 108.800 0.124 0.000 2.542 721 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.235 721 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.235 721 G C -0.818 174.102 174.900 0.033 0.000 1.286 721 G CA -0.451 44.687 45.100 0.062 0.000 0.904 721 G HN 0.602 nan 8.290 nan 0.000 0.577 722 D N 1.383 121.794 120.400 0.019 0.000 2.458 722 D HA 0.496 5.135 4.640 -0.001 0.000 0.243 722 D C 1.040 177.340 176.300 0.001 0.000 1.146 722 D CA 0.474 54.477 54.000 0.004 0.000 0.877 722 D CB 0.672 41.470 40.800 -0.003 0.000 1.176 722 D HN 0.489 nan 8.370 nan 0.000 0.461 723 R N 0.631 121.131 120.500 0.000 0.000 2.540 723 R HA 0.396 4.735 4.340 -0.001 0.000 0.287 723 R C 0.028 176.332 176.300 0.007 0.000 0.980 723 R CA -0.576 55.526 56.100 0.004 0.000 0.966 723 R CB 1.098 31.403 30.300 0.008 0.000 1.106 723 R HN 0.215 nan 8.270 nan 0.000 0.480 724 S N 0.189 115.903 115.700 0.023 0.000 2.572 724 S HA 0.545 5.015 4.470 -0.001 0.000 0.279 724 S C 0.317 174.939 174.600 0.037 0.000 1.341 724 S CA 0.166 58.393 58.200 0.044 0.000 1.043 724 S CB 1.124 64.383 63.200 0.099 0.000 0.887 724 S HN 0.728 nan 8.310 nan 0.000 0.516 725 G N 0.024 108.842 108.800 0.031 0.000 2.947 725 G HA2 0.592 4.552 3.960 -0.001 0.000 0.293 725 G HA3 0.592 4.552 3.960 -0.001 0.000 0.293 725 G C 0.583 175.486 174.900 0.006 0.000 1.243 725 G CA -0.118 45.000 45.100 0.030 0.000 0.802 725 G HN 0.699 nan 8.290 nan 0.000 0.560 726 A N -1.287 121.508 122.820 -0.041 0.000 1.972 726 A HA 0.078 4.398 4.320 -0.001 0.000 0.219 726 A C 1.910 179.365 177.584 -0.215 0.000 1.169 726 A CA 1.993 53.937 52.037 -0.156 0.000 0.635 726 A CB -0.624 18.201 19.000 -0.292 0.000 0.810 726 A HN 0.592 nan 8.150 nan 0.000 0.446 727 Y N -0.688 119.550 120.300 -0.103 0.000 2.314 727 Y HA 0.342 4.891 4.550 -0.001 0.000 0.294 727 Y C 0.882 176.665 175.900 -0.195 0.000 1.139 727 Y CA -0.126 57.843 58.100 -0.219 0.000 1.162 727 Y CB -0.278 37.709 38.460 -0.789 0.000 1.121 727 Y HN 0.014 nan 8.280 nan 0.000 0.529 728 L N 0.788 121.961 121.223 -0.084 0.000 2.350 728 L HA 0.176 4.516 4.340 -0.001 0.000 0.275 728 L C -0.835 176.087 176.870 0.086 0.000 1.099 728 L CA -0.165 54.639 54.840 -0.060 0.000 0.808 728 L CB 0.857 42.833 42.059 -0.138 0.000 1.149 728 L HN 0.138 nan 8.230 nan 0.000 0.442 729 F N 5.004 124.897 119.950 -0.096 0.000 2.347 729 F HA 0.470 4.997 4.527 -0.001 0.000 0.366 729 F C -0.623 175.103 175.800 -0.124 0.000 1.107 729 F CA -0.813 57.093 58.000 -0.157 0.000 1.058 729 F CB 0.670 39.508 39.000 -0.269 0.000 1.236 729 F HN 0.324 nan 8.300 nan 0.000 0.456 730 L N 8.885 130.040 121.223 -0.113 0.000 2.556 730 L HA 0.328 4.667 4.340 -0.001 0.000 0.243 730 L C -2.306 174.419 176.870 -0.242 0.000 1.331 730 L CA -1.876 52.831 54.840 -0.220 0.000 0.927 730 L CB 0.918 42.935 42.059 -0.070 0.000 1.219 730 L HN 0.408 nan 8.230 nan 0.000 0.490 731 P HA 0.004 nan 4.420 nan 0.000 0.269 731 P C -0.472 176.776 177.300 -0.087 0.000 1.209 731 P CA -0.189 62.765 63.100 -0.243 0.000 0.776 731 P CB 0.620 32.053 31.700 -0.445 0.000 0.876 732 N N 1.517 120.231 118.700 0.022 0.000 3.052 732 N HA 0.249 4.988 4.740 -0.001 0.000 0.302 732 N C 0.705 176.238 175.510 0.039 0.000 1.332 732 N CA -0.088 52.974 53.050 0.020 0.000 1.129 732 N CB -0.757 37.745 38.487 0.024 0.000 1.436 732 N HN 0.741 nan 8.380 nan 0.000 0.536 733 G N 0.788 109.607 108.800 0.033 0.000 2.655 733 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.680 733 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.680 733 G C -3.065 171.906 174.900 0.117 0.000 1.302 733 G CA -1.141 43.988 45.100 0.048 0.000 0.872 733 G HN 0.346 nan 8.290 nan 0.000 0.540 734 P HA 0.448 nan 4.420 nan 0.000 0.268 734 P C 0.553 177.797 177.300 -0.094 0.000 1.208 734 P CA 0.692 63.840 63.100 0.080 0.000 0.777 734 P CB 0.420 32.139 31.700 0.031 0.000 0.875 735 A N 2.167 124.729 122.820 -0.430 0.000 2.466 735 A HA 0.363 4.683 4.320 -0.001 0.000 0.238 735 A C 0.183 177.602 177.584 -0.274 0.000 1.074 735 A CA 0.377 52.001 52.037 -0.688 0.000 0.774 735 A CB -0.232 18.117 19.000 -1.086 0.000 1.015 735 A HN 0.477 nan 8.150 nan 0.000 0.498 736 S N 2.167 117.750 115.700 -0.195 0.000 2.501 736 S HA 0.577 5.047 4.470 -0.001 0.000 0.301 736 S C -2.708 171.852 174.600 -0.066 0.000 1.096 736 S CA -0.995 57.150 58.200 -0.092 0.000 1.063 736 S CB 1.401 64.571 63.200 -0.050 0.000 1.042 736 S HN 0.555 nan 8.310 nan 0.000 0.494 737 P HA 0.090 nan 4.420 nan 0.000 0.266 737 P C -0.811 176.497 177.300 0.013 0.000 1.195 737 P CA -0.250 62.847 63.100 -0.005 0.000 0.768 737 P CB 0.335 32.036 31.700 0.002 0.000 0.838 738 V N 4.286 124.224 119.914 0.040 0.000 2.555 738 V HA 0.015 4.134 4.120 -0.001 0.000 0.286 738 V C 0.884 176.996 176.094 0.031 0.000 1.044 738 V CA -0.025 62.299 62.300 0.040 0.000 1.026 738 V CB 0.123 31.981 31.823 0.059 0.000 0.981 738 V HN 0.480 nan 8.190 nan 0.000 0.480 739 E N 5.252 125.464 120.200 0.020 0.000 2.220 739 E HA 0.108 4.458 4.350 -0.001 0.000 0.272 739 E C 0.622 177.229 176.600 0.013 0.000 1.099 739 E CA 0.080 56.491 56.400 0.018 0.000 0.907 739 E CB 0.979 30.688 29.700 0.015 0.000 1.022 739 E HN 0.541 nan 8.360 nan 0.000 0.428 740 L N 1.830 123.063 121.223 0.017 0.000 2.375 740 L HA 0.082 4.421 4.340 -0.001 0.000 0.215 740 L C 1.464 178.339 176.870 0.009 0.000 1.108 740 L CA 0.554 55.400 54.840 0.009 0.000 0.830 740 L CB -0.473 41.599 42.059 0.022 0.000 0.959 740 L HN 0.755 nan 8.230 nan 0.000 0.457 741 G N 0.872 109.681 108.800 0.015 0.000 2.550 741 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.277 741 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.277 741 G C 0.010 174.922 174.900 0.019 0.000 1.190 741 G CA -0.057 45.052 45.100 0.015 0.000 0.971 741 G HN 0.403 nan 8.290 nan 0.000 0.559 742 Q N 1.683 121.494 119.800 0.019 0.000 2.788 742 Q HA 0.359 4.699 4.340 -0.001 0.000 0.261 742 Q C -2.216 173.801 176.000 0.029 0.000 1.029 742 Q CA -1.436 54.381 55.803 0.025 0.000 0.848 742 Q CB 1.789 30.540 28.738 0.021 0.000 1.185 742 Q HN 0.622 nan 8.270 nan 0.000 0.482 743 P HA 0.027 nan 4.420 nan 0.000 0.269 743 P C -0.214 177.131 177.300 0.075 0.000 1.209 743 P CA -0.159 62.967 63.100 0.044 0.000 0.776 743 P CB 1.137 32.850 31.700 0.020 0.000 0.876 744 V N 3.021 123.014 119.914 0.131 0.000 2.488 744 V HA 0.114 4.234 4.120 -0.001 0.000 0.277 744 V C 0.600 176.829 176.094 0.225 0.000 1.046 744 V CA -0.273 62.126 62.300 0.165 0.000 0.986 744 V CB 1.291 33.236 31.823 0.204 0.000 0.989 744 V HN 0.285 nan 8.190 nan 0.000 0.475 745 V N 6.375 126.364 119.914 0.126 0.000 2.459 745 V HA 0.469 4.588 4.120 -0.001 0.000 0.295 745 V C -0.391 175.710 176.094 0.011 0.000 1.029 745 V CA -0.647 61.708 62.300 0.093 0.000 0.874 745 V CB 1.697 33.531 31.823 0.018 0.000 0.985 745 V HN 0.665 nan 8.190 nan 0.000 0.438 746 L N 6.613 127.842 121.223 0.011 0.000 2.305 746 L HA 0.706 5.045 4.340 -0.001 0.000 0.284 746 L C -0.611 176.129 176.870 -0.216 0.000 1.013 746 L CA 0.026 54.742 54.840 -0.206 0.000 0.819 746 L CB 1.696 43.536 42.059 -0.365 0.000 1.227 746 L HN 0.440 nan 8.230 nan 0.000 0.417 747 V N 4.171 123.946 119.914 -0.233 0.000 2.384 747 V HA 0.542 4.661 4.120 -0.001 0.000 0.287 747 V C -0.010 175.997 176.094 -0.145 0.000 1.020 747 V CA -0.382 61.805 62.300 -0.188 0.000 0.850 747 V CB 1.555 33.285 31.823 -0.155 0.000 0.987 747 V HN 0.836 nan 8.190 nan 0.000 0.436 748 T N 5.465 119.963 114.554 -0.094 0.000 2.786 748 T HA 0.405 4.755 4.350 -0.001 0.000 0.283 748 T C -0.387 174.331 174.700 0.030 0.000 0.992 748 T CA -0.544 61.558 62.100 0.003 0.000 0.954 748 T CB 1.041 69.947 68.868 0.064 0.000 0.934 748 T HN 0.646 nan 8.240 nan 0.000 0.440 749 K N 2.558 122.993 120.400 0.059 0.000 2.394 749 K HA 0.685 5.004 4.320 -0.001 0.000 0.260 749 K C -0.270 176.385 176.600 0.093 0.000 0.967 749 K CA -0.566 55.759 56.287 0.063 0.000 0.855 749 K CB 0.948 33.478 32.500 0.050 0.000 1.101 749 K HN 0.775 nan 8.250 nan 0.000 0.433 750 G N 2.191 111.044 108.800 0.087 0.000 2.658 750 G HA2 0.207 4.166 3.960 -0.001 0.000 0.292 750 G HA3 0.207 4.166 3.960 -0.001 0.000 0.292 750 G C -0.045 174.899 174.900 0.074 0.000 1.320 750 G CA -0.569 44.586 45.100 0.092 0.000 0.933 750 G HN 0.489 nan 8.290 nan 0.000 0.476 751 K N -0.255 120.185 120.400 0.068 0.000 2.148 751 K HA 0.088 4.407 4.320 -0.001 0.000 0.204 751 K C 2.032 178.668 176.600 0.060 0.000 1.050 751 K CA 0.857 57.180 56.287 0.060 0.000 0.942 751 K CB -0.102 32.431 32.500 0.054 0.000 0.724 751 K HN 0.423 nan 8.250 nan 0.000 0.446 752 L N -0.675 120.586 121.223 0.063 0.000 2.425 752 L HA 0.196 4.535 4.340 -0.001 0.000 0.215 752 L C 0.729 177.635 176.870 0.060 0.000 1.065 752 L CA 0.052 54.929 54.840 0.062 0.000 0.842 752 L CB 0.426 42.525 42.059 0.067 0.000 1.033 752 L HN 0.083 nan 8.230 nan 0.000 0.474 753 E N -0.185 120.055 120.200 0.066 0.000 2.304 753 E HA 0.429 4.778 4.350 -0.001 0.000 0.277 753 E C -1.489 175.154 176.600 0.072 0.000 0.898 753 E CA -0.212 56.228 56.400 0.066 0.000 0.764 753 E CB 2.198 31.936 29.700 0.063 0.000 1.216 753 E HN -0.113 nan 8.360 nan 0.000 0.419 754 S N 1.170 116.909 115.700 0.065 0.000 2.634 754 S HA 0.807 5.276 4.470 -0.001 0.000 0.296 754 S C -1.309 173.312 174.600 0.035 0.000 1.104 754 S CA -0.643 57.589 58.200 0.053 0.000 0.920 754 S CB 1.803 65.035 63.200 0.053 0.000 1.111 754 S HN 0.649 nan 8.310 nan 0.000 0.493 755 S N -0.347 115.348 115.700 -0.009 0.000 2.587 755 S HA 0.714 5.184 4.470 -0.001 0.000 0.269 755 S C -1.878 172.623 174.600 -0.166 0.000 1.154 755 S CA -0.746 57.423 58.200 -0.052 0.000 0.824 755 S CB 0.983 64.175 63.200 -0.012 0.000 1.118 755 S HN 0.492 nan 8.310 nan 0.000 0.462 756 V N 1.806 121.565 119.914 -0.258 0.000 2.483 756 V HA 0.732 4.851 4.120 -0.001 0.000 0.297 756 V C -0.609 175.342 176.094 -0.238 0.000 1.027 756 V CA -0.382 61.690 62.300 -0.381 0.000 0.855 756 V CB 1.581 32.855 31.823 -0.916 0.000 0.995 756 V HN 0.985 nan 8.190 nan 0.000 0.424 757 S N 3.373 118.988 115.700 -0.142 0.000 2.500 757 S HA 0.787 5.256 4.470 -0.001 0.000 0.301 757 S C -0.807 173.722 174.600 -0.119 0.000 1.092 757 S CA -0.638 57.486 58.200 -0.127 0.000 1.030 757 S CB 2.154 65.375 63.200 0.034 0.000 1.031 757 S HN 0.664 nan 8.310 nan 0.000 0.483 758 V N 2.139 121.852 119.914 -0.335 0.000 2.760 758 V HA 0.816 4.935 4.120 -0.001 0.000 0.309 758 V C -0.015 175.702 176.094 -0.628 0.000 1.077 758 V CA -0.438 61.681 62.300 -0.302 0.000 0.910 758 V CB 1.778 33.559 31.823 -0.070 0.000 1.008 758 V HN 0.996 nan 8.190 nan 0.000 0.424 759 G N 7.020 115.490 108.800 -0.550 0.000 2.530 759 G HA2 0.530 4.489 3.960 -0.001 0.000 0.313 759 G HA3 0.530 4.489 3.960 -0.001 0.000 0.313 759 G C -0.565 174.218 174.900 -0.194 0.000 0.971 759 G CA -0.312 44.532 45.100 -0.427 0.000 1.237 759 G HN 0.707 nan 8.290 nan 0.000 0.446 760 L N 2.800 123.866 121.223 -0.261 0.000 2.387 760 L HA 0.406 4.745 4.340 -0.001 0.000 0.266 760 L C -2.086 174.676 176.870 -0.180 0.000 1.059 760 L CA -2.399 52.315 54.840 -0.212 0.000 0.801 760 L CB 1.990 43.854 42.059 -0.326 0.000 1.223 760 L HN 0.195 nan 8.230 nan 0.000 0.456 761 P HA 0.081 nan 4.420 nan 0.000 0.266 761 P C 0.016 177.257 177.300 -0.098 0.000 1.215 761 P CA 0.498 63.555 63.100 -0.071 0.000 0.763 761 P CB 0.940 32.620 31.700 -0.034 0.000 0.806 762 S N -0.014 115.649 115.700 -0.062 0.000 2.691 762 S HA -0.107 4.362 4.470 -0.001 0.000 0.262 762 S C 0.186 174.709 174.600 -0.128 0.000 1.284 762 S CA 1.193 59.357 58.200 -0.061 0.000 1.372 762 S CB -1.386 61.792 63.200 -0.036 0.000 1.693 762 S HN 0.381 nan 8.310 nan 0.000 0.647 763 V N 1.223 121.000 119.914 -0.230 0.000 2.711 763 V HA 0.460 4.579 4.120 -0.001 0.000 0.304 763 V C -0.361 175.514 176.094 -0.365 0.000 1.097 763 V CA -0.784 61.329 62.300 -0.311 0.000 0.906 763 V CB 2.151 33.647 31.823 -0.544 0.000 1.015 763 V HN 0.081 nan 8.190 nan 0.000 0.427 764 V N 4.478 124.185 119.914 -0.345 0.000 2.334 764 V HA 0.304 4.424 4.120 -0.001 0.000 0.267 764 V C 0.193 176.070 176.094 -0.361 0.000 1.040 764 V CA -0.361 61.620 62.300 -0.532 0.000 0.866 764 V CB 0.629 32.046 31.823 -0.676 0.000 1.019 764 V HN 0.890 nan 8.190 nan 0.000 0.468 765 H N 5.653 124.461 119.070 -0.435 0.000 2.562 765 H HA 0.491 5.047 4.556 -0.001 0.000 0.314 765 H C -0.693 174.514 175.328 -0.201 0.000 1.079 765 H CA -0.526 55.373 56.048 -0.248 0.000 1.349 765 H CB 1.064 30.720 29.762 -0.176 0.000 1.432 765 H HN 0.673 nan 8.280 nan 0.000 0.479 766 Q N 3.456 122.964 119.800 -0.487 0.000 2.323 766 Q HA 0.296 4.635 4.340 -0.001 0.000 0.271 766 Q C -1.142 174.662 176.000 -0.326 0.000 1.048 766 Q CA -0.926 54.667 55.803 -0.350 0.000 0.792 766 Q CB 2.694 31.329 28.738 -0.172 0.000 1.280 766 Q HN 0.529 nan 8.270 nan 0.000 0.441 767 T N 3.073 117.514 114.554 -0.188 0.000 2.791 767 T HA 0.551 4.900 4.350 -0.001 0.000 0.288 767 T C -0.304 174.424 174.700 0.047 0.000 0.999 767 T CA -0.408 61.698 62.100 0.010 0.000 0.952 767 T CB 0.256 69.300 68.868 0.293 0.000 0.938 767 T HN 0.371 nan 8.240 nan 0.000 0.444 768 I N 3.819 124.427 120.570 0.063 0.000 2.377 768 I HA 0.498 4.667 4.170 -0.001 0.000 0.293 768 I C -0.152 176.017 176.117 0.087 0.000 0.987 768 I CA -0.793 60.544 61.300 0.062 0.000 1.185 768 I CB 1.621 39.649 38.000 0.047 0.000 1.341 768 I HN 0.384 nan 8.210 nan 0.000 0.455 769 M N 5.889 125.540 119.600 0.084 0.000 2.321 769 M HA 0.490 4.970 4.480 -0.001 0.000 0.315 769 M C 0.155 176.495 176.300 0.067 0.000 1.052 769 M CA -0.321 55.031 55.300 0.087 0.000 0.936 769 M CB 2.237 34.902 32.600 0.108 0.000 1.639 769 M HN 0.471 nan 8.290 nan 0.000 0.433 770 R N 1.072 121.607 120.500 0.058 0.000 2.566 770 R HA 0.367 4.706 4.340 -0.001 0.000 0.388 770 R C 0.739 177.067 176.300 0.046 0.000 0.989 770 R CA 0.225 56.354 56.100 0.049 0.000 1.164 770 R CB 1.157 31.479 30.300 0.037 0.000 1.459 770 R HN 1.144 nan 8.270 nan 0.000 0.553 771 G N -0.333 108.496 108.800 0.049 0.000 2.255 771 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.196 771 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.196 771 G C 0.279 175.202 174.900 0.037 0.000 0.998 771 G CA -0.397 44.729 45.100 0.043 0.000 0.656 771 G HN 0.525 nan 8.290 nan 0.000 0.490 772 G N -0.109 108.713 108.800 0.038 0.000 3.247 772 G HA2 0.789 4.749 3.960 -0.001 0.000 0.199 772 G HA3 0.789 4.749 3.960 -0.001 0.000 0.199 772 G C 0.366 175.287 174.900 0.035 0.000 1.172 772 G CA 0.488 45.606 45.100 0.031 0.000 0.844 772 G HN 1.536 nan 8.290 nan 0.000 0.619 773 A N 1.578 124.416 122.820 0.030 0.000 2.540 773 A HA 0.518 4.838 4.320 -0.001 0.000 0.239 773 A C -1.678 175.941 177.584 0.058 0.000 1.061 773 A CA -0.427 51.632 52.037 0.036 0.000 0.758 773 A CB -0.433 18.586 19.000 0.032 0.000 0.991 773 A HN 0.405 nan 8.150 nan 0.000 0.502 774 P HA 0.145 nan 4.420 nan 0.000 0.272 774 P C -0.514 176.857 177.300 0.118 0.000 1.230 774 P CA -0.197 62.965 63.100 0.102 0.000 0.788 774 P CB 0.792 32.569 31.700 0.129 0.000 0.949 775 E N 1.365 121.633 120.200 0.114 0.000 2.179 775 E HA 0.420 4.769 4.350 -0.001 0.000 0.275 775 E C -0.845 175.838 176.600 0.138 0.000 0.945 775 E CA -0.752 55.722 56.400 0.123 0.000 0.792 775 E CB 0.692 30.441 29.700 0.082 0.000 1.125 775 E HN 0.235 nan 8.360 nan 0.000 0.397 776 I N 3.924 124.613 120.570 0.199 0.000 2.433 776 I HA 0.428 4.597 4.170 -0.001 0.000 0.292 776 I C -0.153 176.105 176.117 0.236 0.000 1.001 776 I CA -0.634 60.770 61.300 0.173 0.000 1.119 776 I CB 1.417 39.539 38.000 0.203 0.000 1.289 776 I HN 0.578 nan 8.210 nan 0.000 0.438 777 R N 4.470 125.034 120.500 0.107 0.000 2.561 777 R HA 0.490 4.830 4.340 -0.001 0.000 0.297 777 R C -0.997 175.367 176.300 0.106 0.000 0.969 777 R CA -0.852 55.322 56.100 0.123 0.000 0.879 777 R CB 2.140 32.466 30.300 0.043 0.000 1.178 777 R HN 0.456 nan 8.270 nan 0.000 0.445 778 N N 2.609 121.430 118.700 0.202 0.000 2.443 778 N HA 0.187 4.927 4.740 -0.001 0.000 0.269 778 N C -1.270 174.264 175.510 0.039 0.000 0.985 778 N CA -0.687 52.462 53.050 0.165 0.000 0.921 778 N CB 1.837 40.534 38.487 0.349 0.000 1.195 778 N HN 0.327 nan 8.380 nan 0.000 0.492 779 L N 3.984 125.172 121.223 -0.060 0.000 2.302 779 L HA 0.358 4.697 4.340 -0.001 0.000 0.285 779 L C -0.983 175.830 176.870 -0.094 0.000 1.090 779 L CA -0.500 54.285 54.840 -0.091 0.000 0.866 779 L CB 0.247 42.235 42.059 -0.119 0.000 1.244 779 L HN 0.203 nan 8.230 nan 0.000 0.435 780 V N 4.366 124.230 119.914 -0.082 0.000 2.385 780 V HA 0.341 4.460 4.120 -0.001 0.000 0.269 780 V C -0.251 175.820 176.094 -0.039 0.000 1.043 780 V CA -0.409 61.861 62.300 -0.051 0.000 0.906 780 V CB 1.136 32.956 31.823 -0.005 0.000 0.995 780 V HN 0.682 nan 8.190 nan 0.000 0.467 781 D N 4.099 124.482 120.400 -0.028 0.000 2.375 781 D HA 0.242 4.881 4.640 -0.001 0.000 0.259 781 D C 0.497 176.801 176.300 0.005 0.000 1.235 781 D CA -0.428 53.566 54.000 -0.010 0.000 0.924 781 D CB 1.240 42.034 40.800 -0.010 0.000 1.143 781 D HN 0.463 nan 8.370 nan 0.000 0.529 782 I N 2.314 122.897 120.570 0.021 0.000 3.241 782 I HA 0.042 4.211 4.170 -0.001 0.000 0.280 782 I C 1.459 177.591 176.117 0.026 0.000 1.320 782 I CA 1.037 62.356 61.300 0.032 0.000 1.413 782 I CB -0.279 37.752 38.000 0.052 0.000 1.060 782 I HN 0.609 nan 8.210 nan 0.000 0.500 783 G N 1.025 109.835 108.800 0.016 0.000 2.672 783 G HA2 -0.480 3.480 3.960 -0.001 0.000 0.324 783 G HA3 -0.480 3.480 3.960 -0.001 0.000 0.324 783 G C 0.664 175.570 174.900 0.011 0.000 1.286 783 G CA 0.694 45.799 45.100 0.008 0.000 1.004 783 G HN 0.697 nan 8.290 nan 0.000 0.548 784 S N -0.497 115.209 115.700 0.009 0.000 2.574 784 S HA 0.520 4.989 4.470 -0.001 0.000 0.242 784 S C 0.466 175.078 174.600 0.020 0.000 0.982 784 S CA -0.003 58.204 58.200 0.012 0.000 0.977 784 S CB 0.511 63.713 63.200 0.003 0.000 0.814 784 S HN 0.620 nan 8.310 nan 0.000 0.464 785 L N 3.903 125.142 121.223 0.027 0.000 2.451 785 L HA 0.289 4.628 4.340 -0.001 0.000 0.272 785 L C 0.030 176.922 176.870 0.037 0.000 1.258 785 L CA 0.224 55.084 54.840 0.033 0.000 1.132 785 L CB -1.043 41.040 42.059 0.039 0.000 1.361 785 L HN 0.263 nan 8.230 nan 0.000 0.438 786 D N 2.942 123.361 120.400 0.032 0.000 2.423 786 D HA -0.026 4.614 4.640 -0.001 0.000 0.238 786 D C 0.642 176.966 176.300 0.040 0.000 1.142 786 D CA 0.099 54.119 54.000 0.034 0.000 0.884 786 D CB 0.392 41.207 40.800 0.025 0.000 1.199 786 D HN 0.338 nan 8.370 nan 0.000 0.438 787 N N 0.504 119.231 118.700 0.045 0.000 2.705 787 N HA -0.165 4.574 4.740 -0.001 0.000 0.255 787 N C -0.866 174.687 175.510 0.072 0.000 1.008 787 N CA 0.898 53.980 53.050 0.054 0.000 0.742 787 N CB -1.112 37.399 38.487 0.040 0.000 0.906 787 N HN 0.345 nan 8.380 nan 0.000 0.541 788 T N 0.384 114.986 114.554 0.079 0.000 2.916 788 T HA 0.428 4.778 4.350 -0.001 0.000 0.298 788 T C -0.274 174.494 174.700 0.113 0.000 1.031 788 T CA -0.673 61.486 62.100 0.099 0.000 0.993 788 T CB 2.423 71.338 68.868 0.079 0.000 1.045 788 T HN 0.026 nan 8.240 nan 0.000 0.454 789 E N 2.370 122.665 120.200 0.159 0.000 2.216 789 E HA 0.404 4.753 4.350 -0.001 0.000 0.260 789 E C -0.694 176.030 176.600 0.207 0.000 0.880 789 E CA -0.540 55.952 56.400 0.154 0.000 0.765 789 E CB 2.078 31.847 29.700 0.115 0.000 1.174 789 E HN 0.507 nan 8.360 nan 0.000 0.417 790 I N 2.954 123.630 120.570 0.176 0.000 2.342 790 I HA 0.239 4.409 4.170 -0.001 0.000 0.291 790 I C -0.116 176.146 176.117 0.242 0.000 1.010 790 I CA -0.684 60.737 61.300 0.202 0.000 1.308 790 I CB 1.220 39.330 38.000 0.184 0.000 1.400 790 I HN 0.184 nan 8.210 nan 0.000 0.488 791 V N 8.085 128.147 119.914 0.247 0.000 2.680 791 V HA 0.520 4.639 4.120 -0.001 0.000 0.309 791 V C -0.555 175.586 176.094 0.078 0.000 1.052 791 V CA -0.753 61.679 62.300 0.219 0.000 0.908 791 V CB 2.082 34.100 31.823 0.326 0.000 1.001 791 V HN 0.770 nan 8.190 nan 0.000 0.431 792 M N 7.207 126.776 119.600 -0.051 0.000 2.149 792 M HA 0.590 5.069 4.480 -0.001 0.000 0.342 792 M C -0.654 175.519 176.300 -0.212 0.000 1.068 792 M CA -0.457 54.587 55.300 -0.426 0.000 0.991 792 M CB 0.713 33.012 32.600 -0.500 0.000 1.596 792 M HN 0.776 nan 8.290 nan 0.000 0.439 793 R N 4.587 124.964 120.500 -0.205 0.000 2.711 793 R HA 0.744 5.083 4.340 -0.001 0.000 0.284 793 R C -2.014 174.258 176.300 -0.046 0.000 0.968 793 R CA -0.644 55.408 56.100 -0.079 0.000 0.924 793 R CB 1.619 31.885 30.300 -0.056 0.000 1.162 793 R HN 0.822 nan 8.270 nan 0.000 0.465 794 L N 3.013 124.182 121.223 -0.090 0.000 2.333 794 L HA 0.437 4.776 4.340 -0.001 0.000 0.280 794 L C -0.644 176.153 176.870 -0.123 0.000 1.004 794 L CA -0.483 54.242 54.840 -0.192 0.000 0.820 794 L CB 2.062 43.941 42.059 -0.299 0.000 1.247 794 L HN 0.623 nan 8.230 nan 0.000 0.416 795 E N 2.231 122.373 120.200 -0.097 0.000 2.158 795 E HA 0.535 4.884 4.350 -0.001 0.000 0.271 795 E C -0.652 175.915 176.600 -0.055 0.000 0.911 795 E CA -0.518 55.844 56.400 -0.063 0.000 0.767 795 E CB 2.253 31.911 29.700 -0.070 0.000 1.120 795 E HN 0.616 nan 8.360 nan 0.000 0.405 796 T N -1.374 113.156 114.554 -0.040 0.000 2.716 796 T HA 0.313 4.662 4.350 -0.001 0.000 0.286 796 T C 0.211 174.952 174.700 0.069 0.000 1.052 796 T CA -0.680 61.389 62.100 -0.050 0.000 1.024 796 T CB 1.074 69.914 68.868 -0.047 0.000 1.349 796 T HN 0.582 nan 8.240 nan 0.000 0.525 797 H N -0.806 118.265 119.070 0.002 0.000 2.549 797 H HA 0.410 4.965 4.556 -0.001 0.000 0.279 797 H C 0.228 175.560 175.328 0.006 0.000 1.018 797 H CA -0.535 55.514 56.048 0.002 0.000 1.175 797 H CB 0.137 29.903 29.762 0.007 0.000 1.485 797 H HN 0.327 nan 8.280 nan 0.000 0.543 798 I N 1.964 122.604 120.570 0.117 0.000 2.741 798 I HA -0.142 4.027 4.170 -0.001 0.000 0.288 798 I C 0.513 176.674 176.117 0.074 0.000 1.192 798 I CA 0.386 61.733 61.300 0.080 0.000 1.426 798 I CB 0.372 38.409 38.000 0.063 0.000 1.367 798 I HN 0.164 nan 8.210 nan 0.000 0.563 799 D N 4.746 125.184 120.400 0.064 0.000 2.845 799 D HA 0.028 4.668 4.640 -0.001 0.000 0.235 799 D C 1.294 177.634 176.300 0.067 0.000 1.158 799 D CA -0.002 54.030 54.000 0.054 0.000 0.990 799 D CB 0.319 41.144 40.800 0.041 0.000 1.094 799 D HN 0.560 nan 8.370 nan 0.000 0.486 800 S N -0.014 115.734 115.700 0.079 0.000 2.470 800 S HA 0.214 4.684 4.470 -0.001 0.000 0.225 800 S C 1.634 176.288 174.600 0.091 0.000 1.006 800 S CA 0.330 58.593 58.200 0.103 0.000 0.934 800 S CB -0.167 63.109 63.200 0.127 0.000 0.778 800 S HN 0.507 nan 8.310 nan 0.000 0.517 801 G N 3.191 112.032 108.800 0.069 0.000 2.574 801 G HA2 -0.393 3.566 3.960 -0.001 0.000 0.301 801 G HA3 -0.393 3.566 3.960 -0.001 0.000 0.301 801 G C 0.175 175.119 174.900 0.073 0.000 1.166 801 G CA 0.604 45.739 45.100 0.060 0.000 0.971 801 G HN 0.775 nan 8.290 nan 0.000 0.542 802 D N 0.223 120.671 120.400 0.080 0.000 2.440 802 D HA 0.346 4.986 4.640 -0.001 0.000 0.216 802 D C 0.710 177.099 176.300 0.148 0.000 1.150 802 D CA -0.206 53.859 54.000 0.109 0.000 0.832 802 D CB 0.256 41.104 40.800 0.080 0.000 0.992 802 D HN 0.468 nan 8.370 nan 0.000 0.502 803 I N 1.415 122.058 120.570 0.122 0.000 2.437 803 I HA 0.524 4.694 4.170 -0.001 0.000 0.298 803 I C -0.160 176.062 176.117 0.174 0.000 0.984 803 I CA -1.051 60.273 61.300 0.039 0.000 1.214 803 I CB 0.750 38.735 38.000 -0.025 0.000 1.365 803 I HN 0.011 nan 8.210 nan 0.000 0.469 804 F N 4.066 123.856 119.950 -0.267 0.000 2.713 804 F HA 0.653 5.179 4.527 -0.001 0.000 0.311 804 F C -2.159 173.335 175.800 -0.511 0.000 1.141 804 F CA -1.186 56.688 58.000 -0.210 0.000 0.939 804 F CB 1.391 40.324 39.000 -0.112 0.000 1.325 804 F HN 0.180 nan 8.300 nan 0.000 0.453 805 Y N 0.273 120.332 120.300 -0.402 0.000 2.462 805 Y HA 0.726 5.275 4.550 -0.001 0.000 0.346 805 Y C 0.052 175.777 175.900 -0.292 0.000 0.976 805 Y CA -0.754 56.980 58.100 -0.610 0.000 1.044 805 Y CB 2.428 40.138 38.460 -1.250 0.000 1.230 805 Y HN 0.867 nan 8.280 nan 0.000 0.455 806 T N -1.441 113.047 114.554 -0.111 0.000 2.896 806 T HA 0.492 4.842 4.350 -0.001 0.000 0.297 806 T C -1.186 173.334 174.700 -0.300 0.000 1.108 806 T CA -1.068 60.980 62.100 -0.087 0.000 1.004 806 T CB 2.097 70.895 68.868 -0.115 0.000 1.159 806 T HN 0.594 nan 8.240 nan 0.000 0.499 807 D N 1.164 121.230 120.400 -0.557 0.000 2.332 807 D HA 0.397 5.037 4.640 -0.001 0.000 0.252 807 D C -0.640 175.401 176.300 -0.432 0.000 1.050 807 D CA -0.840 52.642 54.000 -0.862 0.000 0.970 807 D CB 1.415 41.420 40.800 -1.326 0.000 1.141 807 D HN 0.561 nan 8.370 nan 0.000 0.485 808 L N 1.383 122.401 121.223 -0.342 0.000 2.316 808 L HA 0.249 4.589 4.340 -0.001 0.000 0.280 808 L C 0.273 177.040 176.870 -0.172 0.000 1.006 808 L CA -0.782 53.952 54.840 -0.176 0.000 0.836 808 L CB 0.640 42.657 42.059 -0.071 0.000 1.221 808 L HN 0.418 nan 8.230 nan 0.000 0.418 809 N N 2.775 121.379 118.700 -0.159 0.000 2.693 809 N HA -0.222 4.517 4.740 -0.001 0.000 0.249 809 N C 0.995 176.299 175.510 -0.343 0.000 1.119 809 N CA 0.937 53.888 53.050 -0.166 0.000 0.717 809 N CB -0.837 37.633 38.487 -0.027 0.000 1.071 809 N HN 1.124 nan 8.380 nan 0.000 0.555 810 G N -0.570 108.021 108.800 -0.348 0.000 2.203 810 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.263 810 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.263 810 G C 0.647 175.515 174.900 -0.054 0.000 1.012 810 G CA 0.841 45.751 45.100 -0.317 0.000 0.749 810 G HN 0.497 nan 8.290 nan 0.000 0.512 811 L N -0.846 120.306 121.223 -0.119 0.000 2.547 811 L HA 0.494 4.834 4.340 -0.001 0.000 0.218 811 L C 0.986 177.751 176.870 -0.173 0.000 1.048 811 L CA 1.857 56.557 54.840 -0.234 0.000 0.859 811 L CB 0.150 41.934 42.059 -0.458 0.000 1.128 811 L HN 0.678 nan 8.230 nan 0.000 0.483 812 Q N -1.676 118.027 119.800 -0.162 0.000 2.462 812 Q HA 0.378 4.717 4.340 -0.001 0.000 0.285 812 Q C -1.691 174.213 176.000 -0.160 0.000 1.035 812 Q CA -0.765 55.003 55.803 -0.059 0.000 0.799 812 Q CB 1.319 30.081 28.738 0.040 0.000 1.452 812 Q HN -0.026 nan 8.270 nan 0.000 0.404 813 F N 1.238 121.149 119.950 -0.065 0.000 2.427 813 F HA 0.583 5.109 4.527 -0.001 0.000 0.346 813 F C -0.212 175.559 175.800 -0.048 0.000 1.120 813 F CA -0.830 57.149 58.000 -0.036 0.000 1.033 813 F CB 1.664 40.693 39.000 0.047 0.000 1.126 813 F HN 0.518 nan 8.300 nan 0.000 0.462 814 I N 3.869 124.445 120.570 0.010 0.000 2.493 814 I HA 0.343 4.512 4.170 -0.001 0.000 0.298 814 I C -0.497 175.476 176.117 -0.240 0.000 0.998 814 I CA -0.916 60.340 61.300 -0.074 0.000 1.137 814 I CB 1.355 39.265 38.000 -0.149 0.000 1.310 814 I HN 0.512 nan 8.210 nan 0.000 0.445 815 K N 6.737 126.943 120.400 -0.325 0.000 2.368 815 K HA 0.280 4.600 4.320 -0.001 0.000 0.282 815 K C -0.889 175.243 176.600 -0.779 0.000 1.035 815 K CA -0.368 55.445 56.287 -0.790 0.000 0.973 815 K CB 0.548 32.719 32.500 -0.548 0.000 0.957 815 K HN 0.505 nan 8.250 nan 0.000 0.474 816 R N 3.248 123.100 120.500 -1.080 0.000 2.711 816 R HA 0.350 4.689 4.340 -0.001 0.000 0.284 816 R C -0.604 175.168 176.300 -0.879 0.000 0.968 816 R CA -0.813 54.580 56.100 -1.179 0.000 0.924 816 R CB 1.598 30.645 30.300 -2.089 0.000 1.162 816 R HN 0.680 nan 8.270 nan 0.000 0.465 817 R N 1.605 121.821 120.500 -0.474 0.000 2.451 817 R HA 0.276 4.615 4.340 -0.001 0.000 0.307 817 R C -0.495 175.853 176.300 0.080 0.000 0.965 817 R CA -0.642 55.366 56.100 -0.154 0.000 0.865 817 R CB 1.395 31.645 30.300 -0.083 0.000 1.174 817 R HN 0.531 nan 8.270 nan 0.000 0.455 818 R N 5.002 125.657 120.500 0.258 0.000 2.484 818 R HA 0.090 4.430 4.340 -0.001 0.000 0.293 818 R C -0.939 175.450 176.300 0.148 0.000 1.023 818 R CA 0.287 56.568 56.100 0.302 0.000 1.037 818 R CB 0.380 30.834 30.300 0.256 0.000 0.951 818 R HN 0.546 nan 8.270 nan 0.000 0.418 819 L N 5.225 126.515 121.223 0.111 0.000 2.316 819 L HA 0.213 4.552 4.340 -0.001 0.000 0.280 819 L C 0.292 177.157 176.870 -0.008 0.000 1.006 819 L CA -0.672 54.188 54.840 0.033 0.000 0.836 819 L CB 1.913 43.964 42.059 -0.014 0.000 1.221 819 L HN 0.655 nan 8.230 nan 0.000 0.418 820 D N 1.761 122.163 120.400 0.003 0.000 2.348 820 D HA -0.122 4.518 4.640 -0.001 0.000 0.216 820 D C 1.684 177.967 176.300 -0.029 0.000 0.970 820 D CA 0.847 54.842 54.000 -0.008 0.000 0.889 820 D CB 0.369 41.173 40.800 0.007 0.000 0.912 820 D HN 0.574 nan 8.370 nan 0.000 0.524 821 K N 0.201 120.576 120.400 -0.042 0.000 2.486 821 K HA 0.022 4.342 4.320 -0.001 0.000 0.194 821 K C 0.730 177.271 176.600 -0.097 0.000 1.033 821 K CA 0.348 56.608 56.287 -0.045 0.000 1.004 821 K CB 0.335 32.821 32.500 -0.024 0.000 0.798 821 K HN 0.096 nan 8.250 nan 0.000 0.495 822 L N 2.321 123.451 121.223 -0.154 0.000 2.330 822 L HA 0.460 4.799 4.340 -0.001 0.000 0.271 822 L C -2.233 174.532 176.870 -0.176 0.000 1.013 822 L CA -2.938 51.768 54.840 -0.222 0.000 0.816 822 L CB 1.505 43.335 42.059 -0.381 0.000 1.287 822 L HN -0.043 nan 8.230 nan 0.000 0.435 823 P HA 0.021 nan 4.420 nan 0.000 0.272 823 P C 0.866 178.035 177.300 -0.218 0.000 1.240 823 P CA -0.361 62.639 63.100 -0.168 0.000 0.791 823 P CB 1.322 32.948 31.700 -0.123 0.000 0.978 824 L N 1.090 122.215 121.223 -0.162 0.000 1.997 824 L HA -0.295 4.045 4.340 -0.001 0.000 0.216 824 L C 2.611 179.379 176.870 -0.170 0.000 1.074 824 L CA 2.044 56.807 54.840 -0.129 0.000 0.763 824 L CB -0.683 41.298 42.059 -0.129 0.000 0.890 824 L HN 0.448 nan 8.230 nan 0.000 0.434 825 Q N -0.289 119.298 119.800 -0.355 0.000 2.297 825 Q HA -0.205 4.135 4.340 -0.001 0.000 0.208 825 Q C 1.907 177.802 176.000 -0.175 0.000 0.981 825 Q CA 1.656 57.280 55.803 -0.298 0.000 0.876 825 Q CB -0.631 27.880 28.738 -0.378 0.000 0.921 825 Q HN 0.625 nan 8.270 nan 0.000 0.446 826 A N 1.556 124.072 122.820 -0.507 0.000 2.066 826 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 826 A C 1.670 179.075 177.584 -0.298 0.000 1.157 826 A CA 0.852 52.440 52.037 -0.748 0.000 0.670 826 A CB -0.219 17.955 19.000 -1.376 0.000 0.804 826 A HN 0.359 nan 8.150 nan 0.000 0.453 827 N N -1.143 117.490 118.700 -0.112 0.000 2.398 827 N HA 0.048 4.788 4.740 -0.001 0.000 0.188 827 N C -0.886 174.717 175.510 0.155 0.000 1.122 827 N CA 0.236 53.335 53.050 0.082 0.000 0.866 827 N CB 0.037 38.619 38.487 0.159 0.000 0.970 827 N HN 0.466 nan 8.380 nan 0.000 0.462 828 Y N 0.200 120.454 120.300 -0.076 0.000 2.308 828 Y HA 0.235 4.784 4.550 -0.001 0.000 0.329 828 Y C -0.224 175.653 175.900 -0.037 0.000 1.111 828 Y CA -0.269 57.880 58.100 0.081 0.000 1.179 828 Y CB 0.452 39.025 38.460 0.190 0.000 1.201 828 Y HN -0.069 nan 8.280 nan 0.000 0.483 829 Y N 3.317 123.773 120.300 0.259 0.000 2.605 829 Y HA 0.465 5.015 4.550 -0.001 0.000 0.343 829 Y C -2.319 173.334 175.900 -0.411 0.000 1.036 829 Y CA -2.875 55.251 58.100 0.044 0.000 1.065 829 Y CB 1.481 39.951 38.460 0.017 0.000 1.288 829 Y HN 0.457 nan 8.280 nan 0.000 0.481 830 P HA 0.122 nan 4.420 nan 0.000 0.271 830 P C -0.701 176.371 177.300 -0.379 0.000 1.216 830 P CA 0.250 62.785 63.100 -0.942 0.000 0.776 830 P CB 0.499 31.540 31.700 -1.099 0.000 0.881 831 I N 5.265 125.687 120.570 -0.247 0.000 2.859 831 I HA 0.156 4.326 4.170 -0.001 0.000 0.296 831 I C -1.557 174.496 176.117 -0.107 0.000 1.300 831 I CA -2.426 58.802 61.300 -0.120 0.000 1.020 831 I CB 0.672 38.656 38.000 -0.027 0.000 1.823 831 I HN 0.230 nan 8.210 nan 0.000 0.599 832 P HA -0.113 nan 4.420 nan 0.000 0.218 832 P C 0.974 178.248 177.300 -0.043 0.000 1.149 832 P CA 1.455 64.488 63.100 -0.112 0.000 0.817 832 P CB 0.600 32.204 31.700 -0.159 0.000 0.785 833 S N -3.612 112.068 115.700 -0.035 0.000 2.551 833 S HA 0.439 4.908 4.470 -0.001 0.000 0.276 833 S C 0.503 175.195 174.600 0.152 0.000 1.051 833 S CA 0.272 58.508 58.200 0.060 0.000 1.377 833 S CB 0.317 63.571 63.200 0.090 0.000 1.208 833 S HN 0.375 nan 8.310 nan 0.000 0.656 834 G N 1.593 110.483 108.800 0.149 0.000 2.489 834 G HA2 0.568 4.527 3.960 -0.001 0.000 0.291 834 G HA3 0.568 4.527 3.960 -0.001 0.000 0.291 834 G C -1.441 173.704 174.900 0.408 0.000 1.487 834 G CA -0.418 44.898 45.100 0.359 0.000 0.795 834 G HN 0.920 nan 8.290 nan 0.000 0.513 835 M N -0.469 119.402 119.600 0.452 0.000 2.534 835 M HA 0.890 5.370 4.480 -0.001 0.000 0.280 835 M C -1.787 174.758 176.300 0.407 0.000 1.217 835 M CA -1.020 54.499 55.300 0.366 0.000 0.893 835 M CB 2.564 35.288 32.600 0.207 0.000 1.730 835 M HN 1.311 nan 8.290 nan 0.000 0.483 836 F N 0.927 121.029 119.950 0.253 0.000 2.693 836 F HA 0.888 5.415 4.527 -0.001 0.000 0.309 836 F C -2.001 173.933 175.800 0.223 0.000 1.129 836 F CA -1.199 56.889 58.000 0.146 0.000 0.948 836 F CB 1.008 40.009 39.000 0.002 0.000 1.315 836 F HN 0.803 nan 8.300 nan 0.000 0.447 837 I N -0.139 120.687 120.570 0.427 0.000 2.828 837 I HA 0.915 5.084 4.170 -0.001 0.000 0.302 837 I C -1.426 174.882 176.117 0.319 0.000 1.101 837 I CA -0.926 60.580 61.300 0.342 0.000 1.031 837 I CB 2.449 40.565 38.000 0.194 0.000 1.231 837 I HN 0.962 nan 8.210 nan 0.000 0.427 838 E N 1.886 122.250 120.200 0.274 0.000 2.416 838 E HA 0.535 4.884 4.350 -0.001 0.000 0.280 838 E C -2.101 174.582 176.600 0.140 0.000 1.055 838 E CA -0.839 55.665 56.400 0.173 0.000 0.825 838 E CB 2.137 31.928 29.700 0.151 0.000 1.312 838 E HN 0.741 nan 8.360 nan 0.000 0.452 839 D N 0.564 121.016 120.400 0.087 0.000 2.808 839 D HA 0.487 5.127 4.640 -0.001 0.000 0.249 839 D C 0.866 177.197 176.300 0.051 0.000 1.151 839 D CA -0.195 53.849 54.000 0.073 0.000 1.089 839 D CB -0.074 40.761 40.800 0.059 0.000 1.295 839 D HN 0.452 nan 8.370 nan 0.000 0.631 840 A N -0.806 122.037 122.820 0.039 0.000 2.019 840 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 840 A C 1.425 179.015 177.584 0.010 0.000 1.164 840 A CA 1.428 53.480 52.037 0.024 0.000 0.644 840 A CB -0.690 18.322 19.000 0.021 0.000 0.805 840 A HN 0.513 nan 8.150 nan 0.000 0.449 841 N N -1.803 116.903 118.700 0.009 0.000 2.382 841 N HA 0.063 4.803 4.740 -0.001 0.000 0.200 841 N C -0.388 175.115 175.510 -0.012 0.000 1.122 841 N CA 0.660 53.708 53.050 -0.003 0.000 0.870 841 N CB 0.643 39.129 38.487 -0.000 0.000 1.176 841 N HN 0.291 nan 8.380 nan 0.000 0.474 842 T N 0.743 115.297 114.554 -0.001 0.000 2.893 842 T HA 0.487 4.836 4.350 -0.001 0.000 0.291 842 T C -0.478 174.219 174.700 -0.005 0.000 1.028 842 T CA -0.653 61.441 62.100 -0.010 0.000 0.995 842 T CB 2.872 71.740 68.868 0.000 0.000 1.051 842 T HN -0.014 nan 8.240 nan 0.000 0.470 843 R N 1.806 122.286 120.500 -0.033 0.000 2.673 843 R HA 0.718 5.057 4.340 -0.001 0.000 0.281 843 R C -2.105 174.174 176.300 -0.036 0.000 0.991 843 R CA -0.890 55.192 56.100 -0.031 0.000 0.896 843 R CB 1.405 31.626 30.300 -0.133 0.000 1.201 843 R HN 0.467 nan 8.270 nan 0.000 0.457 844 L N 2.546 123.779 121.223 0.016 0.000 2.376 844 L HA 0.514 4.854 4.340 -0.001 0.000 0.275 844 L C -1.392 175.518 176.870 0.067 0.000 0.987 844 L CA 0.082 54.925 54.840 0.004 0.000 0.828 844 L CB 2.305 44.357 42.059 -0.011 0.000 1.249 844 L HN 0.659 nan 8.230 nan 0.000 0.409 845 T N 5.718 120.290 114.554 0.030 0.000 2.807 845 T HA 0.581 4.931 4.350 -0.001 0.000 0.279 845 T C -1.107 173.658 174.700 0.109 0.000 0.993 845 T CA -0.271 61.888 62.100 0.098 0.000 0.970 845 T CB 1.405 70.257 68.868 -0.028 0.000 0.950 845 T HN 0.468 nan 8.240 nan 0.000 0.441 846 L N 5.152 126.478 121.223 0.172 0.000 2.319 846 L HA 0.559 4.899 4.340 -0.001 0.000 0.281 846 L C -1.376 175.644 176.870 0.250 0.000 1.005 846 L CA -0.714 54.236 54.840 0.183 0.000 0.828 846 L CB 0.592 42.738 42.059 0.145 0.000 1.227 846 L HN 0.404 nan 8.230 nan 0.000 0.415 847 L N 3.899 125.273 121.223 0.251 0.000 2.334 847 L HA 0.663 5.002 4.340 -0.001 0.000 0.275 847 L C 0.557 177.586 176.870 0.265 0.000 1.036 847 L CA -0.264 54.724 54.840 0.246 0.000 0.807 847 L CB 1.444 43.614 42.059 0.184 0.000 1.231 847 L HN 0.779 nan 8.230 nan 0.000 0.438 848 T N -2.318 112.344 114.554 0.179 0.000 2.932 848 T HA 0.651 5.001 4.350 -0.001 0.000 0.289 848 T C 0.621 175.289 174.700 -0.054 0.000 1.039 848 T CA -0.244 61.872 62.100 0.026 0.000 1.024 848 T CB 1.998 70.883 68.868 0.029 0.000 1.090 848 T HN 0.671 nan 8.240 nan 0.000 0.496 849 G N 0.912 109.605 108.800 -0.179 0.000 3.393 849 G HA2 0.433 4.392 3.960 -0.001 0.000 0.255 849 G HA3 0.433 4.392 3.960 -0.001 0.000 0.255 849 G C 0.093 174.935 174.900 -0.098 0.000 1.097 849 G CA -0.355 44.678 45.100 -0.113 0.000 0.780 849 G HN 0.954 nan 8.290 nan 0.000 0.540 850 Q N -0.089 119.647 119.800 -0.105 0.000 2.479 850 Q HA 0.305 4.645 4.340 -0.001 0.000 0.276 850 Q C -3.562 172.407 176.000 -0.052 0.000 0.989 850 Q CA -2.171 53.596 55.803 -0.060 0.000 0.864 850 Q CB 1.929 30.651 28.738 -0.026 0.000 1.444 850 Q HN 0.015 nan 8.270 nan 0.000 0.388 851 P HA 0.485 nan 4.420 nan 0.000 0.281 851 P C -0.724 176.567 177.300 -0.015 0.000 1.252 851 P CA -0.186 62.901 63.100 -0.023 0.000 0.778 851 P CB 1.086 32.777 31.700 -0.016 0.000 0.895 852 L N 1.651 122.860 121.223 -0.023 0.000 2.491 852 L HA 0.665 5.005 4.340 -0.001 0.000 0.254 852 L C 0.673 177.563 176.870 0.033 0.000 1.048 852 L CA -1.152 53.696 54.840 0.014 0.000 0.855 852 L CB 2.076 44.127 42.059 -0.013 0.000 1.466 852 L HN 0.345 nan 8.230 nan 0.000 0.409 853 G N -0.957 107.918 108.800 0.126 0.000 2.400 853 G HA2 0.683 4.642 3.960 -0.001 0.000 0.301 853 G HA3 0.683 4.642 3.960 -0.001 0.000 0.301 853 G C -0.517 174.426 174.900 0.071 0.000 1.154 853 G CA 0.085 45.320 45.100 0.224 0.000 0.852 853 G HN 0.865 nan 8.290 nan 0.000 0.511 854 G N -1.364 107.299 108.800 -0.230 0.000 2.606 854 G HA2 0.720 4.680 3.960 -0.001 0.000 0.300 854 G HA3 0.720 4.680 3.960 -0.001 0.000 0.300 854 G C -1.094 173.334 174.900 -0.787 0.000 1.360 854 G CA 0.459 45.209 45.100 -0.584 0.000 0.783 854 G HN 1.381 nan 8.290 nan 0.000 0.484 855 S N -1.991 113.322 115.700 -0.645 0.000 2.669 855 S HA 0.686 5.155 4.470 -0.001 0.000 0.266 855 S C -1.672 172.502 174.600 -0.710 0.000 1.149 855 S CA 0.422 58.250 58.200 -0.619 0.000 0.842 855 S CB 1.107 64.007 63.200 -0.500 0.000 1.160 855 S HN 1.593 nan 8.310 nan 0.000 0.487 856 S N 1.526 116.591 115.700 -1.058 0.000 2.524 856 S HA 0.460 4.930 4.470 -0.001 0.000 0.227 856 S C 0.192 174.549 174.600 -0.405 0.000 1.304 856 S CA -0.620 57.155 58.200 -0.708 0.000 1.185 856 S CB -0.116 62.563 63.200 -0.868 0.000 1.104 856 S HN 0.563 nan 8.310 nan 0.000 0.475 857 L N 2.760 123.878 121.223 -0.175 0.000 2.554 857 L HA 0.457 4.796 4.340 -0.001 0.000 0.226 857 L C 0.904 177.763 176.870 -0.019 0.000 1.137 857 L CA 0.326 55.140 54.840 -0.044 0.000 0.863 857 L CB -0.098 41.992 42.059 0.052 0.000 0.985 857 L HN 0.668 nan 8.230 nan 0.000 0.451 858 A N -1.158 121.639 122.820 -0.038 0.000 2.604 858 A HA 0.450 4.769 4.320 -0.001 0.000 0.295 858 A C -0.413 177.166 177.584 -0.009 0.000 1.067 858 A CA -0.449 51.582 52.037 -0.009 0.000 0.683 858 A CB 1.231 20.229 19.000 -0.003 0.000 1.281 858 A HN -0.131 nan 8.150 nan 0.000 0.407 859 S N 0.066 115.775 115.700 0.014 0.000 2.558 859 S HA 0.395 4.864 4.470 -0.001 0.000 0.293 859 S C 1.521 176.136 174.600 0.025 0.000 1.292 859 S CA 1.875 60.092 58.200 0.028 0.000 1.063 859 S CB -0.076 63.144 63.200 0.033 0.000 0.831 859 S HN 2.664 nan 8.310 nan 0.000 0.499 860 G N 3.350 112.170 108.800 0.034 0.000 2.179 860 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.260 860 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.260 860 G C -0.150 174.750 174.900 -0.001 0.000 0.977 860 G CA 0.510 45.630 45.100 0.033 0.000 0.641 860 G HN 0.724 nan 8.290 nan 0.000 0.533 861 E N -0.659 119.526 120.200 -0.025 0.000 2.222 861 E HA 0.799 5.148 4.350 -0.001 0.000 0.267 861 E C -0.239 176.305 176.600 -0.093 0.000 0.963 861 E CA -0.764 55.602 56.400 -0.058 0.000 0.837 861 E CB 1.818 31.482 29.700 -0.059 0.000 1.183 861 E HN 0.220 nan 8.360 nan 0.000 0.403 862 L N 1.738 122.903 121.223 -0.096 0.000 2.455 862 L HA 0.436 4.776 4.340 -0.001 0.000 0.264 862 L C -0.905 175.907 176.870 -0.096 0.000 0.968 862 L CA -0.593 54.182 54.840 -0.109 0.000 0.827 862 L CB 2.175 44.200 42.059 -0.057 0.000 1.317 862 L HN 0.677 nan 8.230 nan 0.000 0.407 863 E N 3.629 123.761 120.200 -0.114 0.000 2.372 863 E HA 0.688 5.038 4.350 -0.001 0.000 0.279 863 E C -1.729 174.827 176.600 -0.074 0.000 0.946 863 E CA -0.814 55.549 56.400 -0.060 0.000 0.769 863 E CB 3.385 33.091 29.700 0.011 0.000 1.230 863 E HN 0.551 nan 8.360 nan 0.000 0.442 864 I N 2.723 123.288 120.570 -0.007 0.000 2.571 864 I HA 0.316 4.486 4.170 -0.001 0.000 0.289 864 I C -1.336 174.848 176.117 0.112 0.000 1.115 864 I CA -1.172 60.144 61.300 0.028 0.000 1.045 864 I CB 1.909 39.931 38.000 0.035 0.000 1.238 864 I HN 0.806 nan 8.210 nan 0.000 0.424 865 M N 6.328 126.035 119.600 0.178 0.000 2.239 865 M HA 0.166 4.645 4.480 -0.001 0.000 0.348 865 M C 0.665 177.062 176.300 0.162 0.000 1.239 865 M CA 0.676 56.084 55.300 0.181 0.000 1.114 865 M CB 0.813 33.489 32.600 0.127 0.000 1.641 865 M HN 0.567 nan 8.290 nan 0.000 0.453 866 Q N 1.484 121.415 119.800 0.219 0.000 2.304 866 Q HA 0.236 4.575 4.340 -0.001 0.000 0.204 866 Q C -0.226 175.987 176.000 0.356 0.000 0.936 866 Q CA 0.847 56.845 55.803 0.326 0.000 0.878 866 Q CB 0.347 29.318 28.738 0.388 0.000 0.983 866 Q HN 0.765 nan 8.270 nan 0.000 0.516 867 D N -0.950 119.589 120.400 0.231 0.000 2.694 867 D HA 0.262 4.902 4.640 -0.001 0.000 0.260 867 D C -1.446 174.926 176.300 0.120 0.000 1.250 867 D CA -0.479 53.633 54.000 0.186 0.000 0.763 867 D CB 1.403 42.307 40.800 0.172 0.000 1.311 867 D HN 0.042 nan 8.370 nan 0.000 0.420 868 R N 0.915 121.472 120.500 0.095 0.000 2.584 868 R HA 0.670 5.009 4.340 -0.001 0.000 0.276 868 R C -1.006 175.335 176.300 0.069 0.000 1.046 868 R CA -1.050 55.089 56.100 0.065 0.000 0.906 868 R CB 2.091 32.398 30.300 0.011 0.000 1.215 868 R HN 0.296 nan 8.270 nan 0.000 0.449 869 R N 3.876 124.415 120.500 0.066 0.000 2.388 869 R HA 0.427 4.767 4.340 -0.001 0.000 0.314 869 R C -1.328 175.005 176.300 0.054 0.000 0.959 869 R CA -0.539 55.596 56.100 0.059 0.000 0.851 869 R CB 1.107 31.440 30.300 0.055 0.000 1.168 869 R HN 0.688 nan 8.270 nan 0.000 0.472 870 L N 3.902 125.154 121.223 0.049 0.000 2.333 870 L HA 0.515 4.855 4.340 -0.001 0.000 0.280 870 L C 0.919 177.812 176.870 0.037 0.000 1.004 870 L CA -0.547 54.319 54.840 0.044 0.000 0.820 870 L CB 2.050 44.135 42.059 0.044 0.000 1.247 870 L HN 0.764 nan 8.230 nan 0.000 0.416 871 A N 1.783 124.622 122.820 0.032 0.000 2.016 871 A HA 0.043 4.363 4.320 -0.001 0.000 0.217 871 A C 1.108 178.706 177.584 0.024 0.000 1.162 871 A CA 0.957 53.009 52.037 0.026 0.000 0.662 871 A CB -0.134 18.878 19.000 0.021 0.000 0.812 871 A HN 0.711 nan 8.150 nan 0.000 0.450 872 S N -0.699 115.016 115.700 0.024 0.000 2.681 872 S HA 0.511 4.980 4.470 -0.001 0.000 0.299 872 S C -0.773 173.844 174.600 0.029 0.000 1.113 872 S CA -0.560 57.653 58.200 0.023 0.000 1.013 872 S CB 1.433 64.644 63.200 0.017 0.000 1.076 872 S HN 0.272 nan 8.310 nan 0.000 0.534 873 D N -0.520 119.898 120.400 0.030 0.000 2.255 873 D HA 0.314 4.954 4.640 -0.001 0.000 0.249 873 D C -0.181 176.141 176.300 0.037 0.000 1.078 873 D CA -0.510 53.516 54.000 0.044 0.000 0.896 873 D CB 0.884 41.711 40.800 0.045 0.000 1.194 873 D HN 0.581 nan 8.370 nan 0.000 0.429 874 D N 2.273 122.702 120.400 0.050 0.000 2.460 874 D HA 0.047 4.686 4.640 -0.001 0.000 0.229 874 D C -0.397 175.885 176.300 -0.029 0.000 1.170 874 D CA -0.303 53.700 54.000 0.005 0.000 0.827 874 D CB -0.547 40.245 40.800 -0.014 0.000 0.973 874 D HN 0.661 nan 8.370 nan 0.000 0.496 875 E N -0.073 120.130 120.200 0.006 0.000 2.360 875 E HA -0.247 4.102 4.350 -0.001 0.000 0.238 875 E C 0.273 176.857 176.600 -0.028 0.000 1.186 875 E CA 0.161 56.561 56.400 0.001 0.000 0.719 875 E CB -0.633 29.063 29.700 -0.007 0.000 1.236 875 E HN 0.239 nan 8.360 nan 0.000 0.386 876 R N -0.731 119.740 120.500 -0.049 0.000 2.543 876 R HA 0.196 4.535 4.340 -0.001 0.000 0.323 876 R C 1.361 177.741 176.300 0.133 0.000 1.002 876 R CA 0.682 56.687 56.100 -0.159 0.000 1.106 876 R CB 1.100 30.913 30.300 -0.811 0.000 1.280 876 R HN 0.435 nan 8.270 nan 0.000 0.549 877 G N 0.654 109.602 108.800 0.248 0.000 2.218 877 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.216 877 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.216 877 G C 0.753 175.759 174.900 0.176 0.000 0.994 877 G CA 0.182 45.506 45.100 0.373 0.000 0.637 877 G HN 0.262 nan 8.290 nan 0.000 0.505 878 L N 1.553 122.980 121.223 0.341 0.000 2.083 878 L HA 0.408 4.748 4.340 -0.001 0.000 0.209 878 L C 2.292 179.145 176.870 -0.028 0.000 1.083 878 L CA 2.975 57.898 54.840 0.139 0.000 0.752 878 L CB -0.659 41.604 42.059 0.339 0.000 0.899 878 L HN 1.726 nan 8.230 nan 0.000 0.433 879 G N -0.833 107.986 108.800 0.031 0.000 2.143 879 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.248 879 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.248 879 G C 0.111 175.017 174.900 0.010 0.000 0.991 879 G CA 0.619 45.719 45.100 0.000 0.000 0.689 879 G HN 0.773 nan 8.290 nan 0.000 0.522 880 Q N -2.055 117.765 119.800 0.033 0.000 2.633 880 Q HA 0.658 4.997 4.340 -0.001 0.000 0.289 880 Q C 0.289 176.315 176.000 0.043 0.000 0.940 880 Q CA -0.604 55.217 55.803 0.031 0.000 0.785 880 Q CB 0.428 29.181 28.738 0.025 0.000 1.467 880 Q HN 0.984 nan 8.270 nan 0.000 0.401 881 G N -0.026 108.796 108.800 0.037 0.000 2.543 881 G HA2 0.539 4.499 3.960 -0.001 0.000 0.267 881 G HA3 0.539 4.499 3.960 -0.001 0.000 0.267 881 G C -0.966 173.959 174.900 0.040 0.000 1.406 881 G CA -0.714 44.409 45.100 0.038 0.000 1.048 881 G HN 0.407 nan 8.290 nan 0.000 0.548 882 V N 0.912 120.852 119.914 0.043 0.000 2.284 882 V HA 0.334 4.453 4.120 -0.001 0.000 0.274 882 V C 0.107 176.233 176.094 0.053 0.000 1.023 882 V CA -0.133 62.199 62.300 0.053 0.000 0.808 882 V CB 0.827 32.684 31.823 0.058 0.000 1.035 882 V HN 0.529 nan 8.190 nan 0.000 0.445 883 L N 3.189 124.442 121.223 0.050 0.000 3.229 883 L HA 0.318 4.657 4.340 -0.001 0.000 0.286 883 L C 0.613 177.509 176.870 0.043 0.000 1.239 883 L CA 0.026 54.892 54.840 0.043 0.000 1.035 883 L CB 0.634 42.712 42.059 0.032 0.000 1.408 883 L HN 0.664 nan 8.230 nan 0.000 0.593 884 D N -2.019 118.416 120.400 0.058 0.000 2.615 884 D HA 0.053 4.692 4.640 -0.001 0.000 0.236 884 D C 0.144 176.481 176.300 0.062 0.000 1.233 884 D CA -0.406 53.628 54.000 0.057 0.000 0.829 884 D CB -0.281 40.562 40.800 0.073 0.000 1.024 884 D HN 0.052 nan 8.370 nan 0.000 0.490 885 N N 1.884 120.618 118.700 0.057 0.000 2.374 885 N HA 0.068 4.807 4.740 -0.001 0.000 0.241 885 N C 0.301 175.815 175.510 0.007 0.000 1.262 885 N CA 0.580 53.662 53.050 0.054 0.000 0.880 885 N CB 0.913 39.432 38.487 0.054 0.000 1.105 885 N HN 0.432 nan 8.380 nan 0.000 0.438 886 K N -0.216 120.173 120.400 -0.017 0.000 2.532 886 K HA 0.502 4.822 4.320 -0.001 0.000 0.265 886 K C -3.273 173.290 176.600 -0.061 0.000 0.948 886 K CA -1.821 54.411 56.287 -0.092 0.000 0.842 886 K CB 1.344 33.698 32.500 -0.243 0.000 1.392 886 K HN 0.079 nan 8.250 nan 0.000 0.436 887 P HA -0.046 nan 4.420 nan 0.000 0.262 887 P C -1.044 176.272 177.300 0.028 0.000 1.182 887 P CA -0.395 62.685 63.100 -0.034 0.000 0.761 887 P CB 0.728 32.399 31.700 -0.048 0.000 0.795 888 V N 5.232 125.138 119.914 -0.013 0.000 2.841 888 V HA 0.503 4.622 4.120 -0.001 0.000 0.310 888 V C -1.399 174.578 176.094 -0.195 0.000 1.090 888 V CA -1.101 61.175 62.300 -0.039 0.000 0.930 888 V CB 2.154 33.935 31.823 -0.070 0.000 1.014 888 V HN 0.272 nan 8.190 nan 0.000 0.425 889 L N 6.860 127.994 121.223 -0.148 0.000 2.272 889 L HA 0.605 4.944 4.340 -0.001 0.000 0.284 889 L C -0.405 176.443 176.870 -0.036 0.000 1.045 889 L CA 0.128 54.913 54.840 -0.093 0.000 0.842 889 L CB 0.400 42.430 42.059 -0.049 0.000 1.224 889 L HN 0.710 nan 8.230 nan 0.000 0.430 890 H N 5.672 124.767 119.070 0.041 0.000 2.525 890 H HA 0.502 5.057 4.556 -0.001 0.000 0.339 890 H C -0.127 175.119 175.328 -0.136 0.000 1.109 890 H CA -0.189 55.827 56.048 -0.053 0.000 1.352 890 H CB 1.330 31.129 29.762 0.061 0.000 1.461 890 H HN 0.699 nan 8.280 nan 0.000 0.533 891 I N 0.158 120.580 120.570 -0.247 0.000 2.689 891 I HA 0.612 4.781 4.170 -0.001 0.000 0.299 891 I C -1.407 174.407 176.117 -0.506 0.000 1.059 891 I CA -0.928 60.250 61.300 -0.202 0.000 1.055 891 I CB 2.132 40.093 38.000 -0.065 0.000 1.243 891 I HN 0.245 nan 8.210 nan 0.000 0.425 892 Y N 2.381 122.737 120.300 0.093 0.000 2.705 892 Y HA 0.721 5.271 4.550 -0.001 0.000 0.332 892 Y C -0.685 175.272 175.900 0.096 0.000 1.221 892 Y CA -1.129 57.032 58.100 0.101 0.000 1.059 892 Y CB 1.378 39.918 38.460 0.134 0.000 1.298 892 Y HN 0.416 nan 8.280 nan 0.000 0.459 893 R N 1.344 122.017 120.500 0.287 0.000 2.575 893 R HA 0.558 4.897 4.340 -0.001 0.000 0.293 893 R C -2.012 174.399 176.300 0.186 0.000 0.983 893 R CA -1.016 55.196 56.100 0.187 0.000 0.887 893 R CB 2.374 32.746 30.300 0.120 0.000 1.184 893 R HN 0.645 nan 8.270 nan 0.000 0.445 894 L N 3.232 124.545 121.223 0.149 0.000 2.294 894 L HA 0.446 4.786 4.340 -0.001 0.000 0.283 894 L C -1.106 175.789 176.870 0.043 0.000 1.015 894 L CA -0.567 54.333 54.840 0.100 0.000 0.831 894 L CB 1.735 43.855 42.059 0.102 0.000 1.217 894 L HN 0.313 nan 8.230 nan 0.000 0.420 895 V N 6.217 126.143 119.914 0.020 0.000 2.334 895 V HA 0.396 4.515 4.120 -0.001 0.000 0.281 895 V C -0.285 175.784 176.094 -0.042 0.000 1.016 895 V CA -0.611 61.682 62.300 -0.013 0.000 0.832 895 V CB 1.327 33.136 31.823 -0.024 0.000 0.999 895 V HN 0.622 nan 8.190 nan 0.000 0.439 896 L N 5.559 126.753 121.223 -0.049 0.000 2.289 896 L HA 0.698 5.037 4.340 -0.001 0.000 0.285 896 L C -0.157 176.676 176.870 -0.061 0.000 1.049 896 L CA 0.595 55.399 54.840 -0.060 0.000 0.804 896 L CB 1.096 43.115 42.059 -0.066 0.000 1.195 896 L HN 0.749 nan 8.230 nan 0.000 0.428 897 E N 3.603 123.760 120.200 -0.071 0.000 2.413 897 E HA 0.444 4.793 4.350 -0.001 0.000 0.277 897 E C -1.293 175.265 176.600 -0.070 0.000 0.958 897 E CA -1.185 55.170 56.400 -0.075 0.000 0.779 897 E CB 1.625 31.263 29.700 -0.102 0.000 1.278 897 E HN 0.268 nan 8.360 nan 0.000 0.456 898 K N 1.409 121.772 120.400 -0.062 0.000 2.201 898 K HA 0.239 4.559 4.320 -0.001 0.000 0.278 898 K C 0.297 176.858 176.600 -0.066 0.000 1.027 898 K CA -0.222 56.033 56.287 -0.053 0.000 0.909 898 K CB 1.451 33.925 32.500 -0.043 0.000 1.062 898 K HN 0.471 nan 8.250 nan 0.000 0.465 899 V N -0.375 119.501 119.914 -0.064 0.000 3.252 899 V HA 0.039 4.159 4.120 -0.001 0.000 0.320 899 V C 1.106 177.168 176.094 -0.054 0.000 1.459 899 V CA -0.344 61.910 62.300 -0.076 0.000 1.095 899 V CB -0.277 31.484 31.823 -0.103 0.000 0.997 899 V HN 0.618 nan 8.190 nan 0.000 0.469 900 N N 1.300 119.976 118.700 -0.039 0.000 2.381 900 N HA -0.153 4.587 4.740 -0.001 0.000 0.182 900 N C 0.979 176.471 175.510 -0.030 0.000 1.025 900 N CA 1.489 54.523 53.050 -0.027 0.000 0.888 900 N CB -0.443 38.032 38.487 -0.020 0.000 0.965 900 N HN 0.549 nan 8.380 nan 0.000 0.438 901 N N 0.027 118.704 118.700 -0.038 0.000 2.280 901 N HA 0.079 4.818 4.740 -0.001 0.000 0.192 901 N C -0.280 175.202 175.510 -0.047 0.000 1.109 901 N CA -0.121 52.906 53.050 -0.038 0.000 0.855 901 N CB 0.175 38.640 38.487 -0.037 0.000 0.974 901 N HN 0.200 nan 8.380 nan 0.000 0.482 902 c N 1.372 119.938 118.600 -0.057 0.000 2.601 902 c HA 0.266 4.835 4.570 -0.001 0.000 0.409 902 c C 1.073 175.127 174.090 -0.060 0.000 1.293 902 c CA -0.922 55.366 56.329 -0.070 0.000 2.101 902 c CB 0.752 43.206 42.510 -0.093 0.000 2.639 902 c HN 0.008 nan 8.230 nan 0.000 0.592 903 V N 5.590 125.464 119.914 -0.066 0.000 2.370 903 V HA 0.212 4.331 4.120 -0.001 0.000 0.257 903 V C 0.633 176.690 176.094 -0.061 0.000 1.064 903 V CA 0.350 62.616 62.300 -0.057 0.000 0.975 903 V CB -0.634 31.151 31.823 -0.064 0.000 1.067 903 V HN 0.806 nan 8.190 nan 0.000 0.485 904 R N 4.518 124.995 120.500 -0.039 0.000 2.782 904 R HA 0.561 4.900 4.340 -0.001 0.000 0.258 904 R C -2.458 173.837 176.300 -0.008 0.000 1.055 904 R CA -1.848 54.237 56.100 -0.025 0.000 1.065 904 R CB 0.916 31.206 30.300 -0.017 0.000 1.172 904 R HN 0.394 nan 8.270 nan 0.000 0.510 905 P HA -0.009 nan 4.420 nan 0.000 0.272 905 P C -0.472 176.872 177.300 0.075 0.000 1.230 905 P CA -0.247 62.845 63.100 -0.014 0.000 0.788 905 P CB 0.680 32.290 31.700 -0.149 0.000 0.949 906 S N 1.090 116.862 115.700 0.120 0.000 2.587 906 S HA 0.066 4.535 4.470 -0.001 0.000 0.260 906 S C 1.039 175.719 174.600 0.134 0.000 1.353 906 S CA -0.134 58.134 58.200 0.114 0.000 0.995 906 S CB 0.291 63.559 63.200 0.113 0.000 0.912 906 S HN 0.307 nan 8.310 nan 0.000 0.568 907 K N 0.209 120.670 120.400 0.100 0.000 2.280 907 K HA 0.040 4.359 4.320 -0.001 0.000 0.202 907 K C 1.408 178.062 176.600 0.091 0.000 1.047 907 K CA 1.159 57.502 56.287 0.093 0.000 0.942 907 K CB -0.545 31.994 32.500 0.065 0.000 0.739 907 K HN 0.538 nan 8.250 nan 0.000 0.457 908 L N -0.124 121.156 121.223 0.095 0.000 2.567 908 L HA 0.050 4.389 4.340 -0.001 0.000 0.225 908 L C 0.966 177.886 176.870 0.082 0.000 1.119 908 L CA -0.255 54.626 54.840 0.067 0.000 0.871 908 L CB -0.177 41.907 42.059 0.042 0.000 1.036 908 L HN 0.246 nan 8.230 nan 0.000 0.459 909 H N 2.254 121.361 119.070 0.061 0.000 2.803 909 H HA 0.084 4.640 4.556 -0.001 0.000 0.330 909 H C -1.769 173.597 175.328 0.063 0.000 1.057 909 H CA -1.300 54.796 56.048 0.081 0.000 1.458 909 H CB 1.795 31.634 29.762 0.128 0.000 1.470 909 H HN -0.096 nan 8.280 nan 0.000 0.560 910 P HA 0.118 nan 4.420 nan 0.000 0.241 910 P C -0.459 176.939 177.300 0.163 0.000 1.191 910 P CA 0.299 63.426 63.100 0.046 0.000 0.771 910 P CB 0.538 32.196 31.700 -0.069 0.000 0.929 911 A N -0.410 122.686 122.820 0.461 0.000 2.288 911 A HA 0.782 5.101 4.320 -0.001 0.000 0.328 911 A C 0.178 177.837 177.584 0.125 0.000 1.123 911 A CA -0.345 51.843 52.037 0.251 0.000 0.861 911 A CB 1.046 20.194 19.000 0.247 0.000 1.272 911 A HN 0.136 nan 8.150 nan 0.000 0.490 912 G N -1.484 107.237 108.800 -0.133 0.000 2.660 912 G HA2 0.617 4.577 3.960 -0.001 0.000 0.294 912 G HA3 0.617 4.577 3.960 -0.001 0.000 0.294 912 G C -1.847 172.709 174.900 -0.575 0.000 1.369 912 G CA -0.357 44.617 45.100 -0.211 0.000 0.912 912 G HN 0.536 nan 8.290 nan 0.000 0.479 913 Y N -0.468 119.787 120.300 -0.076 0.000 2.512 913 Y HA 0.536 5.085 4.550 -0.001 0.000 0.348 913 Y C 0.462 176.121 175.900 -0.401 0.000 0.990 913 Y CA -0.939 57.053 58.100 -0.181 0.000 1.033 913 Y CB 2.132 40.480 38.460 -0.186 0.000 1.259 913 Y HN 0.351 nan 8.280 nan 0.000 0.461 914 L N 1.780 122.834 121.223 -0.282 0.000 2.466 914 L HA 0.424 4.763 4.340 -0.001 0.000 0.257 914 L C 0.622 177.340 176.870 -0.254 0.000 1.189 914 L CA -0.566 54.029 54.840 -0.409 0.000 0.813 914 L CB 0.830 42.709 42.059 -0.301 0.000 1.118 914 L HN 0.775 nan 8.230 nan 0.000 0.471 915 T N -3.120 111.282 114.554 -0.253 0.000 2.881 915 T HA 0.100 4.450 4.350 -0.001 0.000 0.278 915 T C 1.046 175.693 174.700 -0.087 0.000 0.982 915 T CA -0.210 61.787 62.100 -0.172 0.000 0.989 915 T CB 1.597 70.359 68.868 -0.177 0.000 1.058 915 T HN 0.587 nan 8.240 nan 0.000 0.529 916 S N 0.474 116.135 115.700 -0.066 0.000 2.359 916 S HA -0.150 4.320 4.470 -0.001 0.000 0.224 916 S C 2.337 176.949 174.600 0.019 0.000 1.035 916 S CA 1.538 59.732 58.200 -0.010 0.000 1.018 916 S CB -1.240 61.938 63.200 -0.036 0.000 0.876 916 S HN 0.916 nan 8.310 nan 0.000 0.448 917 A N 1.360 124.168 122.820 -0.021 0.000 1.902 917 A HA 0.193 4.512 4.320 -0.001 0.000 0.217 917 A C 2.508 180.088 177.584 -0.007 0.000 1.181 917 A CA 1.959 53.987 52.037 -0.015 0.000 0.623 917 A CB -1.444 17.536 19.000 -0.032 0.000 0.818 917 A HN 0.832 nan 8.150 nan 0.000 0.443 918 A N -1.373 121.428 122.820 -0.032 0.000 1.930 918 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 918 A C 2.131 179.739 177.584 0.040 0.000 1.175 918 A CA 1.688 53.708 52.037 -0.028 0.000 0.627 918 A CB -0.939 17.984 19.000 -0.128 0.000 0.815 918 A HN 0.788 nan 8.150 nan 0.000 0.443 919 H N -0.061 118.991 119.070 -0.030 0.000 2.326 919 H HA -0.048 4.507 4.556 -0.001 0.000 0.301 919 H C 1.858 177.222 175.328 0.059 0.000 1.081 919 H CA 1.822 57.889 56.048 0.031 0.000 1.334 919 H CB -0.046 29.727 29.762 0.019 0.000 1.385 919 H HN 0.438 nan 8.280 nan 0.000 0.504 920 K N 0.203 120.567 120.400 -0.059 0.000 2.147 920 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 920 K C 2.365 178.933 176.600 -0.054 0.000 1.049 920 K CA 0.819 57.055 56.287 -0.086 0.000 0.936 920 K CB -0.017 32.482 32.500 -0.001 0.000 0.722 920 K HN 0.268 nan 8.250 nan 0.000 0.446 921 A N 0.809 123.620 122.820 -0.016 0.000 1.933 921 A HA -0.177 4.143 4.320 -0.001 0.000 0.218 921 A C 2.196 179.787 177.584 0.012 0.000 1.175 921 A CA 1.975 54.019 52.037 0.011 0.000 0.628 921 A CB -0.602 18.418 19.000 0.032 0.000 0.814 921 A HN 0.272 nan 8.150 nan 0.000 0.444 922 S N -0.645 115.062 115.700 0.012 0.000 2.368 922 S HA -0.223 4.247 4.470 -0.001 0.000 0.225 922 S C 2.121 176.715 174.600 -0.010 0.000 1.030 922 S CA 1.669 59.893 58.200 0.041 0.000 0.999 922 S CB -0.393 62.872 63.200 0.108 0.000 0.844 922 S HN 0.681 nan 8.310 nan 0.000 0.459 923 Q N 0.640 120.390 119.800 -0.085 0.000 2.170 923 Q HA -0.077 4.262 4.340 -0.001 0.000 0.203 923 Q C 2.472 178.436 176.000 -0.061 0.000 0.976 923 Q CA 1.601 57.358 55.803 -0.078 0.000 0.858 923 Q CB -0.290 28.382 28.738 -0.110 0.000 0.907 923 Q HN 0.806 nan 8.270 nan 0.000 0.433 924 S N 0.239 115.912 115.700 -0.045 0.000 2.423 924 S HA -0.074 4.396 4.470 -0.001 0.000 0.231 924 S C 1.841 176.403 174.600 -0.064 0.000 1.014 924 S CA 0.679 58.852 58.200 -0.045 0.000 0.965 924 S CB -0.204 62.986 63.200 -0.017 0.000 0.785 924 S HN 0.280 nan 8.310 nan 0.000 0.495 925 L N 0.015 121.209 121.223 -0.048 0.000 2.168 925 L HA 0.246 4.585 4.340 -0.001 0.000 0.203 925 L C 2.470 179.285 176.870 -0.091 0.000 1.078 925 L CA 0.666 55.473 54.840 -0.054 0.000 0.780 925 L CB -0.362 41.685 42.059 -0.020 0.000 0.939 925 L HN 0.275 nan 8.230 nan 0.000 0.451 926 L N -1.132 120.041 121.223 -0.083 0.000 2.249 926 L HA 0.034 4.373 4.340 -0.001 0.000 0.207 926 L C 0.129 176.884 176.870 -0.192 0.000 1.090 926 L CA 0.766 55.543 54.840 -0.106 0.000 0.802 926 L CB 0.091 42.115 42.059 -0.059 0.000 0.947 926 L HN 0.208 nan 8.230 nan 0.000 0.453 927 D N 0.300 120.568 120.400 -0.219 0.000 2.656 927 D HA 0.227 4.866 4.640 -0.001 0.000 0.303 927 D C -2.365 173.731 176.300 -0.340 0.000 1.199 927 D CA -0.908 52.886 54.000 -0.343 0.000 0.797 927 D CB 1.424 42.216 40.800 -0.013 0.000 1.170 927 D HN 0.058 nan 8.370 nan 0.000 0.509 928 P HA 0.167 nan 4.420 nan 0.000 0.275 928 P C 0.491 177.686 177.300 -0.176 0.000 1.266 928 P CA -0.525 62.431 63.100 -0.240 0.000 0.793 928 P CB 1.630 33.202 31.700 -0.214 0.000 1.074 929 L N 0.685 121.854 121.223 -0.090 0.000 2.461 929 L HA 0.128 4.468 4.340 -0.001 0.000 0.272 929 L C 0.904 177.776 176.870 0.002 0.000 1.197 929 L CA 0.336 55.165 54.840 -0.018 0.000 0.836 929 L CB -0.231 41.827 42.059 -0.002 0.000 1.105 929 L HN 0.281 nan 8.230 nan 0.000 0.477 930 D N 2.678 123.144 120.400 0.111 0.000 2.175 930 D HA 0.332 4.971 4.640 -0.001 0.000 0.248 930 D C -0.426 175.873 176.300 -0.001 0.000 1.047 930 D CA -0.358 53.648 54.000 0.011 0.000 0.883 930 D CB 1.763 42.616 40.800 0.089 0.000 1.180 930 D HN 0.361 nan 8.370 nan 0.000 0.438 931 K N 1.491 121.761 120.400 -0.217 0.000 2.323 931 K HA 0.456 4.775 4.320 -0.001 0.000 0.259 931 K C -0.988 175.527 176.600 -0.142 0.000 0.947 931 K CA -0.652 55.632 56.287 -0.006 0.000 0.819 931 K CB 1.521 33.984 32.500 -0.062 0.000 1.109 931 K HN 0.214 nan 8.250 nan 0.000 0.429 932 F N 2.735 122.868 119.950 0.304 0.000 2.507 932 F HA 0.487 5.013 4.527 -0.001 0.000 0.325 932 F C 0.079 176.182 175.800 0.505 0.000 1.116 932 F CA -0.922 57.264 58.000 0.310 0.000 0.930 932 F CB 1.177 40.194 39.000 0.029 0.000 1.146 932 F HN 0.203 nan 8.300 nan 0.000 0.447 933 I N 3.609 124.561 120.570 0.638 0.000 2.339 933 I HA 0.211 4.381 4.170 -0.001 0.000 0.290 933 I C -0.540 175.831 176.117 0.423 0.000 0.994 933 I CA -0.828 60.764 61.300 0.487 0.000 1.191 933 I CB 1.179 39.367 38.000 0.313 0.000 1.343 933 I HN 0.435 nan 8.210 nan 0.000 0.458 934 F N 5.804 125.861 119.950 0.179 0.000 2.578 934 F HA 0.186 4.712 4.527 -0.001 0.000 0.381 934 F C 1.224 176.923 175.800 -0.168 0.000 1.069 934 F CA 0.084 57.893 58.000 -0.319 0.000 1.231 934 F CB 1.142 39.990 39.000 -0.253 0.000 1.086 934 F HN 0.621 nan 8.300 nan 0.000 0.564 935 A N 4.659 126.944 122.820 -0.892 0.000 1.872 935 A HA -0.036 4.283 4.320 -0.001 0.000 0.214 935 A C 1.067 178.378 177.584 -0.455 0.000 1.187 935 A CA 0.763 52.461 52.037 -0.564 0.000 0.614 935 A CB -0.629 18.017 19.000 -0.590 0.000 0.826 935 A HN 0.795 nan 8.150 nan 0.000 0.442 936 E N -0.249 119.513 120.200 -0.731 0.000 2.397 936 E HA 0.095 4.444 4.350 -0.001 0.000 0.254 936 E C 0.373 177.068 176.600 0.159 0.000 1.231 936 E CA -0.363 55.928 56.400 -0.182 0.000 0.954 936 E CB 0.214 29.883 29.700 -0.052 0.000 1.024 936 E HN 0.318 nan 8.360 nan 0.000 0.481 937 N N 0.635 119.448 118.700 0.188 0.000 2.216 937 N HA -0.096 4.643 4.740 -0.001 0.000 0.183 937 N C -0.118 175.546 175.510 0.256 0.000 1.017 937 N CA 0.942 54.113 53.050 0.202 0.000 0.861 937 N CB 0.191 38.754 38.487 0.126 0.000 0.986 937 N HN 0.471 nan 8.380 nan 0.000 0.428 938 E N -0.656 119.720 120.200 0.294 0.000 2.272 938 E HA 0.116 4.465 4.350 -0.001 0.000 0.269 938 E C -1.530 175.175 176.600 0.175 0.000 0.877 938 E CA -0.723 55.780 56.400 0.172 0.000 0.755 938 E CB 1.329 31.092 29.700 0.104 0.000 1.192 938 E HN -0.017 nan 8.360 nan 0.000 0.422 939 W N 8.008 128.993 121.300 -0.525 0.000 2.309 939 W HA 0.399 5.059 4.660 -0.001 0.000 0.332 939 W C -1.281 175.039 176.519 -0.332 0.000 0.962 939 W CA -1.508 55.370 57.345 -0.777 0.000 1.497 939 W CB -0.127 28.372 29.460 -1.600 0.000 1.308 939 W HN 0.470 nan 8.180 nan 0.000 0.384 940 I N 5.901 126.583 120.570 0.187 0.000 2.556 940 I HA 0.210 4.379 4.170 -0.001 0.000 0.284 940 I C 1.498 177.617 176.117 0.004 0.000 1.114 940 I CA 1.133 62.466 61.300 0.055 0.000 1.418 940 I CB 0.437 38.495 38.000 0.098 0.000 1.394 940 I HN 0.771 nan 8.210 nan 0.000 0.552 941 G N 4.348 113.060 108.800 -0.147 0.000 2.143 941 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.249 941 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.249 941 G C 0.427 175.085 174.900 -0.403 0.000 0.981 941 G CA -0.065 44.925 45.100 -0.183 0.000 0.665 941 G HN 0.996 nan 8.290 nan 0.000 0.528 942 A N -0.350 121.977 122.820 -0.823 0.000 2.531 942 A HA 0.545 4.865 4.320 -0.001 0.000 0.236 942 A C 0.587 177.735 177.584 -0.727 0.000 1.062 942 A CA 0.841 52.016 52.037 -1.437 0.000 0.760 942 A CB 0.231 18.084 19.000 -1.912 0.000 0.995 942 A HN 0.638 nan 8.150 nan 0.000 0.501 943 Q N 0.725 120.159 119.800 -0.611 0.000 2.348 943 Q HA 0.524 4.863 4.340 -0.001 0.000 0.271 943 Q C 1.002 176.867 176.000 -0.224 0.000 1.067 943 Q CA -0.223 55.401 55.803 -0.299 0.000 0.839 943 Q CB 1.966 30.597 28.738 -0.177 0.000 1.354 943 Q HN 0.802 nan 8.270 nan 0.000 0.447 944 G N 0.215 108.926 108.800 -0.147 0.000 2.777 944 G HA2 -0.036 3.923 3.960 -0.001 0.000 0.211 944 G HA3 -0.036 3.923 3.960 -0.001 0.000 0.211 944 G C 0.176 175.040 174.900 -0.060 0.000 1.149 944 G CA 0.515 45.547 45.100 -0.114 0.000 0.785 944 G HN 0.460 nan 8.290 nan 0.000 0.536 945 Q N -1.315 118.468 119.800 -0.029 0.000 2.527 945 Q HA 0.517 4.857 4.340 -0.001 0.000 0.280 945 Q C -2.416 173.603 176.000 0.033 0.000 0.977 945 Q CA -0.939 54.866 55.803 0.002 0.000 0.837 945 Q CB 1.968 30.695 28.738 -0.018 0.000 1.454 945 Q HN 0.022 nan 8.270 nan 0.000 0.387 946 F N 1.494 121.344 119.950 -0.167 0.000 2.561 946 F HA 0.643 5.169 4.527 -0.001 0.000 0.313 946 F C 0.445 175.986 175.800 -0.432 0.000 1.126 946 F CA 0.418 58.253 58.000 -0.274 0.000 0.918 946 F CB 2.065 40.914 39.000 -0.250 0.000 1.199 946 F HN 0.702 nan 8.300 nan 0.000 0.444 947 G N 3.116 110.935 108.800 -1.636 0.000 2.141 947 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.231 947 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.231 947 G C 1.046 175.302 174.900 -1.073 0.000 0.984 947 G CA 0.276 44.152 45.100 -2.041 0.000 0.660 947 G HN 1.599 nan 8.290 nan 0.000 0.525 948 G N 1.151 109.603 108.800 -0.580 0.000 2.479 948 G HA2 -0.024 3.936 3.960 -0.001 0.000 0.220 948 G HA3 -0.024 3.936 3.960 -0.001 0.000 0.220 948 G C 1.280 176.127 174.900 -0.089 0.000 1.115 948 G CA 1.760 46.747 45.100 -0.188 0.000 0.757 948 G HN 0.833 nan 8.290 nan 0.000 0.560 949 D N -0.649 119.615 120.400 -0.228 0.000 2.349 949 D HA -0.002 4.637 4.640 -0.001 0.000 0.214 949 D C 0.035 176.341 176.300 0.009 0.000 1.063 949 D CA -0.382 53.575 54.000 -0.072 0.000 0.847 949 D CB -0.435 40.325 40.800 -0.065 0.000 0.933 949 D HN 0.173 nan 8.370 nan 0.000 0.513 950 H N 1.842 120.804 119.070 -0.179 0.000 2.848 950 H HA 0.305 4.861 4.556 -0.001 0.000 0.341 950 H C -1.969 173.325 175.328 -0.056 0.000 1.060 950 H CA -1.926 54.036 56.048 -0.143 0.000 1.444 950 H CB 0.054 29.674 29.762 -0.236 0.000 1.446 950 H HN 0.044 nan 8.280 nan 0.000 0.583 951 P HA 0.003 nan 4.420 nan 0.000 0.271 951 P C -0.240 177.121 177.300 0.101 0.000 1.216 951 P CA -0.062 63.094 63.100 0.094 0.000 0.776 951 P CB 0.724 32.456 31.700 0.053 0.000 0.881 952 S N 2.439 118.231 115.700 0.154 0.000 2.464 952 S HA 0.558 5.027 4.470 -0.001 0.000 0.313 952 S C 0.088 174.779 174.600 0.152 0.000 1.078 952 S CA -0.594 57.723 58.200 0.195 0.000 1.096 952 S CB -0.764 62.656 63.200 0.367 0.000 1.032 952 S HN 0.493 nan 8.310 nan 0.000 0.498 953 A N 4.235 127.136 122.820 0.136 0.000 2.366 953 A HA 0.455 4.775 4.320 -0.001 0.000 0.249 953 A C 0.568 178.200 177.584 0.080 0.000 1.084 953 A CA -0.455 51.642 52.037 0.099 0.000 0.794 953 A CB 0.132 19.191 19.000 0.098 0.000 1.034 953 A HN 0.911 nan 8.150 nan 0.000 0.491 954 R N 0.226 120.744 120.500 0.029 0.000 2.638 954 R HA -0.033 4.306 4.340 -0.001 0.000 0.268 954 R C 1.538 177.828 176.300 -0.017 0.000 1.006 954 R CA 0.979 57.068 56.100 -0.018 0.000 1.088 954 R CB 0.314 30.595 30.300 -0.032 0.000 0.950 954 R HN 0.921 nan 8.270 nan 0.000 0.419 955 E N 2.203 122.352 120.200 -0.085 0.000 2.219 955 E HA -0.273 4.076 4.350 -0.001 0.000 0.198 955 E C 0.234 176.844 176.600 0.018 0.000 0.998 955 E CA 1.763 58.097 56.400 -0.111 0.000 0.818 955 E CB -0.117 29.498 29.700 -0.141 0.000 0.741 955 E HN 0.802 nan 8.360 nan 0.000 0.477 956 D N 0.496 120.871 120.400 -0.041 0.000 2.340 956 D HA 0.026 4.666 4.640 -0.001 0.000 0.220 956 D C 0.273 176.561 176.300 -0.018 0.000 1.039 956 D CA -0.172 53.766 54.000 -0.104 0.000 0.866 956 D CB -0.010 40.677 40.800 -0.189 0.000 0.913 956 D HN 0.184 nan 8.370 nan 0.000 0.523 957 L N 0.593 121.854 121.223 0.064 0.000 2.325 957 L HA 0.582 4.922 4.340 -0.001 0.000 0.278 957 L C -1.266 175.730 176.870 0.210 0.000 1.023 957 L CA -0.469 54.432 54.840 0.102 0.000 0.811 957 L CB 1.863 43.966 42.059 0.073 0.000 1.249 957 L HN -0.180 nan 8.230 nan 0.000 0.431 958 D N 2.198 122.745 120.400 0.245 0.000 2.756 958 D HA 0.375 5.014 4.640 -0.001 0.000 0.226 958 D C -1.511 174.953 176.300 0.273 0.000 1.186 958 D CA -0.276 53.893 54.000 0.281 0.000 0.845 958 D CB 2.381 43.393 40.800 0.353 0.000 1.610 958 D HN 0.230 nan 8.370 nan 0.000 0.465 959 V N 3.511 123.566 119.914 0.234 0.000 2.258 959 V HA 0.150 4.269 4.120 -0.001 0.000 0.258 959 V C 1.251 177.486 176.094 0.235 0.000 1.121 959 V CA -0.053 62.395 62.300 0.248 0.000 0.942 959 V CB 0.468 32.424 31.823 0.223 0.000 1.170 959 V HN 0.635 nan 8.190 nan 0.000 0.487 960 S N 3.160 119.028 115.700 0.281 0.000 2.383 960 S HA -0.037 4.432 4.470 -0.001 0.000 0.229 960 S C 0.664 175.328 174.600 0.106 0.000 1.030 960 S CA 0.984 59.304 58.200 0.200 0.000 1.002 960 S CB 0.128 63.509 63.200 0.301 0.000 0.829 960 S HN 0.502 nan 8.310 nan 0.000 0.467 961 V N 1.229 121.243 119.914 0.166 0.000 2.808 961 V HA 0.526 4.645 4.120 -0.001 0.000 0.308 961 V C -0.833 175.336 176.094 0.125 0.000 1.099 961 V CA -0.570 61.802 62.300 0.121 0.000 0.920 961 V CB 1.949 33.857 31.823 0.142 0.000 1.014 961 V HN 0.373 nan 8.190 nan 0.000 0.425 962 M N 5.560 125.153 119.600 -0.012 0.000 2.151 962 M HA 0.666 5.145 4.480 -0.001 0.000 0.290 962 M C -1.107 175.030 176.300 -0.272 0.000 0.965 962 M CA -0.464 54.695 55.300 -0.234 0.000 0.930 962 M CB 1.342 33.810 32.600 -0.219 0.000 1.560 962 M HN 0.763 nan 8.290 nan 0.000 0.438 963 R N 4.102 124.379 120.500 -0.371 0.000 2.515 963 R HA 0.445 4.784 4.340 -0.001 0.000 0.291 963 R C -1.416 174.670 176.300 -0.357 0.000 1.046 963 R CA -0.696 55.238 56.100 -0.277 0.000 0.914 963 R CB 1.866 32.095 30.300 -0.118 0.000 1.191 963 R HN 0.896 nan 8.270 nan 0.000 0.435 964 R N 4.519 124.861 120.500 -0.264 0.000 2.442 964 R HA 0.131 4.470 4.340 -0.001 0.000 0.291 964 R C 0.190 176.387 176.300 -0.171 0.000 1.069 964 R CA 0.070 56.041 56.100 -0.215 0.000 1.022 964 R CB 0.597 30.827 30.300 -0.116 0.000 0.976 964 R HN 0.706 nan 8.270 nan 0.000 0.443 965 L N 3.144 124.257 121.223 -0.182 0.000 2.607 965 L HA 0.148 4.487 4.340 -0.001 0.000 0.228 965 L C 0.387 177.212 176.870 -0.074 0.000 1.123 965 L CA -0.028 54.729 54.840 -0.138 0.000 0.890 965 L CB 0.323 42.267 42.059 -0.193 0.000 1.103 965 L HN 0.708 nan 8.230 nan 0.000 0.468 966 T N -2.974 111.546 114.554 -0.056 0.000 2.887 966 T HA 0.467 4.816 4.350 -0.001 0.000 0.288 966 T C -0.246 174.452 174.700 -0.004 0.000 1.021 966 T CA -0.924 61.160 62.100 -0.026 0.000 1.000 966 T CB 2.406 71.263 68.868 -0.018 0.000 1.034 966 T HN -0.085 nan 8.240 nan 0.000 0.467 967 K N 0.873 121.275 120.400 0.005 0.000 2.102 967 K HA 0.347 4.666 4.320 -0.001 0.000 0.244 967 K C 1.707 178.324 176.600 0.029 0.000 1.021 967 K CA -0.257 56.043 56.287 0.023 0.000 0.913 967 K CB 0.664 33.175 32.500 0.019 0.000 1.062 967 K HN 0.807 nan 8.250 nan 0.000 0.485 968 S N -0.452 115.274 115.700 0.044 0.000 2.419 968 S HA -0.172 4.297 4.470 -0.001 0.000 0.235 968 S C 1.800 176.417 174.600 0.029 0.000 1.019 968 S CA 1.679 59.903 58.200 0.040 0.000 0.982 968 S CB -0.438 62.793 63.200 0.051 0.000 0.789 968 S HN 0.643 nan 8.310 nan 0.000 0.490 969 S N 1.652 117.367 115.700 0.025 0.000 2.515 969 S HA 0.401 4.871 4.470 -0.001 0.000 0.231 969 S C 0.830 175.439 174.600 0.014 0.000 0.987 969 S CA 0.107 58.319 58.200 0.020 0.000 0.936 969 S CB -0.677 62.535 63.200 0.019 0.000 0.766 969 S HN 0.812 nan 8.310 nan 0.000 0.528 970 A N 1.812 124.639 122.820 0.012 0.000 2.451 970 A HA 0.379 4.698 4.320 -0.001 0.000 0.266 970 A C 1.150 178.741 177.584 0.012 0.000 1.119 970 A CA -0.504 51.538 52.037 0.008 0.000 0.786 970 A CB 0.166 19.167 19.000 0.003 0.000 1.061 970 A HN 0.422 nan 8.150 nan 0.000 0.503 971 K N 1.217 121.623 120.400 0.009 0.000 2.032 971 K HA -0.095 4.224 4.320 -0.001 0.000 0.209 971 K C 0.167 176.777 176.600 0.016 0.000 1.048 971 K CA 1.628 57.922 56.287 0.012 0.000 0.927 971 K CB -0.073 32.432 32.500 0.008 0.000 0.712 971 K HN 0.682 nan 8.250 nan 0.000 0.441 972 T N 2.340 116.901 114.554 0.012 0.000 2.753 972 T HA 0.160 4.509 4.350 -0.001 0.000 0.297 972 T C -0.459 174.253 174.700 0.021 0.000 0.981 972 T CA -0.576 61.533 62.100 0.015 0.000 0.956 972 T CB 1.288 70.156 68.868 -0.000 0.000 0.936 972 T HN -0.008 nan 8.240 nan 0.000 0.463 973 Q N 2.788 122.618 119.800 0.049 0.000 2.340 973 Q HA 0.410 4.749 4.340 -0.001 0.000 0.249 973 Q C 0.090 176.137 176.000 0.078 0.000 0.957 973 Q CA 0.029 55.867 55.803 0.058 0.000 0.882 973 Q CB 1.338 30.120 28.738 0.072 0.000 1.235 973 Q HN 0.548 nan 8.270 nan 0.000 0.439 974 R N 0.368 120.885 120.500 0.027 0.000 2.628 974 R HA 0.659 4.998 4.340 -0.001 0.000 0.288 974 R C -1.085 175.170 176.300 -0.075 0.000 0.980 974 R CA -0.680 55.415 56.100 -0.008 0.000 0.891 974 R CB 1.846 32.111 30.300 -0.059 0.000 1.188 974 R HN 0.252 nan 8.270 nan 0.000 0.450 975 V N 1.555 121.417 119.914 -0.085 0.000 2.531 975 V HA 0.581 4.700 4.120 -0.001 0.000 0.301 975 V C 0.199 176.026 176.094 -0.445 0.000 1.034 975 V CA -0.845 61.286 62.300 -0.282 0.000 0.865 975 V CB 1.994 33.672 31.823 -0.243 0.000 0.995 975 V HN 0.950 nan 8.190 nan 0.000 0.424 976 G N 3.022 111.366 108.800 -0.761 0.000 2.389 976 G HA2 0.672 4.631 3.960 -0.001 0.000 0.328 976 G HA3 0.672 4.631 3.960 -0.001 0.000 0.328 976 G C -1.664 172.828 174.900 -0.680 0.000 1.133 976 G CA -0.306 44.184 45.100 -1.017 0.000 0.891 976 G HN 0.501 nan 8.290 nan 0.000 0.485 977 Y N 0.101 120.476 120.300 0.124 0.000 2.442 977 Y HA 0.475 5.024 4.550 -0.001 0.000 0.344 977 Y C -0.210 175.966 175.900 0.459 0.000 0.976 977 Y CA -0.907 57.371 58.100 0.296 0.000 1.040 977 Y CB 2.779 41.370 38.460 0.217 0.000 1.228 977 Y HN 0.345 nan 8.280 nan 0.000 0.451 978 V N 5.095 125.314 119.914 0.508 0.000 2.357 978 V HA 0.359 4.478 4.120 -0.001 0.000 0.284 978 V C -0.717 175.606 176.094 0.382 0.000 1.018 978 V CA -0.707 61.812 62.300 0.365 0.000 0.841 978 V CB 1.362 33.347 31.823 0.271 0.000 0.991 978 V HN 0.533 nan 8.190 nan 0.000 0.437 979 L N 5.329 126.763 121.223 0.351 0.000 2.287 979 L HA 0.550 4.890 4.340 -0.001 0.000 0.287 979 L C -0.293 176.770 176.870 0.322 0.000 1.022 979 L CA -0.162 54.878 54.840 0.333 0.000 0.814 979 L CB 1.351 43.605 42.059 0.325 0.000 1.217 979 L HN 0.683 nan 8.230 nan 0.000 0.420 980 H N 4.770 123.992 119.070 0.254 0.000 2.529 980 H HA 0.393 4.949 4.556 -0.001 0.000 0.348 980 H C -1.132 174.283 175.328 0.145 0.000 1.079 980 H CA -0.727 55.439 56.048 0.196 0.000 1.198 980 H CB 2.128 32.066 29.762 0.294 0.000 1.521 980 H HN 0.593 nan 8.280 nan 0.000 0.514 981 R N 3.988 124.118 120.500 -0.616 0.000 2.360 981 R HA 0.229 4.569 4.340 -0.001 0.000 0.318 981 R C -0.487 175.408 176.300 -0.674 0.000 0.950 981 R CA -0.415 55.425 56.100 -0.433 0.000 0.837 981 R CB 1.570 31.735 30.300 -0.224 0.000 1.165 981 R HN 0.666 nan 8.270 nan 0.000 0.458 982 T N 1.587 115.901 114.554 -0.400 0.000 2.833 982 T HA 0.228 4.577 4.350 -0.001 0.000 0.292 982 T C -0.573 173.960 174.700 -0.279 0.000 1.031 982 T CA -0.494 61.460 62.100 -0.242 0.000 0.937 982 T CB 0.668 69.489 68.868 -0.079 0.000 1.256 982 T HN 0.668 nan 8.240 nan 0.000 0.551 983 N N 0.661 119.220 118.700 -0.236 0.000 2.399 983 N HA 0.463 5.202 4.740 -0.001 0.000 0.284 983 N C -1.500 173.854 175.510 -0.261 0.000 1.025 983 N CA -0.485 52.367 53.050 -0.330 0.000 0.885 983 N CB 0.649 38.784 38.487 -0.587 0.000 1.339 983 N HN 0.476 nan 8.380 nan 0.000 0.487 984 L N 2.855 123.917 121.223 -0.267 0.000 2.325 984 L HA 0.540 4.880 4.340 -0.001 0.000 0.278 984 L C 0.471 177.216 176.870 -0.208 0.000 1.023 984 L CA -0.934 53.781 54.840 -0.209 0.000 0.811 984 L CB 1.620 43.562 42.059 -0.195 0.000 1.249 984 L HN 0.383 nan 8.230 nan 0.000 0.431 985 M N 2.901 122.397 119.600 -0.172 0.000 2.245 985 M HA 0.090 4.569 4.480 -0.001 0.000 0.344 985 M C 0.021 176.235 176.300 -0.142 0.000 1.170 985 M CA 0.150 55.353 55.300 -0.163 0.000 1.135 985 M CB 0.464 32.977 32.600 -0.145 0.000 1.574 985 M HN 0.541 nan 8.290 nan 0.000 0.452 986 Q N 2.353 122.074 119.800 -0.131 0.000 2.322 986 Q HA 0.304 4.643 4.340 -0.001 0.000 0.256 986 Q C -0.604 175.343 176.000 -0.090 0.000 0.960 986 Q CA -0.520 55.220 55.803 -0.106 0.000 0.934 986 Q CB 0.631 29.309 28.738 -0.099 0.000 1.200 986 Q HN 0.737 nan 8.270 nan 0.000 0.435 987 c N 2.278 120.829 118.600 -0.082 0.000 2.863 987 c HA 0.525 5.095 4.570 -0.001 0.000 0.284 987 c C 1.334 175.390 174.090 -0.057 0.000 1.426 987 c CA 0.046 56.333 56.329 -0.072 0.000 1.782 987 c CB -0.668 41.794 42.510 -0.080 0.000 2.554 987 c HN 1.146 nan 8.230 nan 0.000 0.566 988 G N 1.085 109.853 108.800 -0.053 0.000 2.176 988 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.232 988 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.232 988 G C 0.042 174.919 174.900 -0.038 0.000 0.986 988 G CA 0.254 45.329 45.100 -0.042 0.000 0.643 988 G HN 0.432 nan 8.290 nan 0.000 0.522 989 T N 2.301 116.829 114.554 -0.043 0.000 2.749 989 T HA 0.455 4.805 4.350 -0.001 0.000 0.295 989 T C -0.418 174.261 174.700 -0.035 0.000 0.936 989 T CA -0.410 61.667 62.100 -0.037 0.000 1.060 989 T CB 1.762 70.604 68.868 -0.042 0.000 0.904 989 T HN 0.018 nan 8.240 nan 0.000 0.500 990 P HA -0.164 nan 4.420 nan 0.000 0.217 990 P C -0.083 177.204 177.300 -0.022 0.000 1.162 990 P CA 0.836 63.927 63.100 -0.014 0.000 0.901 990 P CB -0.053 31.650 31.700 0.005 0.000 0.793 991 E N -0.351 119.832 120.200 -0.029 0.000 2.755 991 E HA -0.205 4.145 4.350 -0.001 0.000 0.164 991 E C -0.279 176.278 176.600 -0.071 0.000 1.934 991 E CA 0.446 56.807 56.400 -0.066 0.000 0.658 991 E CB -1.071 28.582 29.700 -0.077 0.000 1.053 991 E HN 0.483 nan 8.360 nan 0.000 0.334 992 E N 0.929 121.084 120.200 -0.075 0.000 2.493 992 E HA 0.304 4.654 4.350 -0.001 0.000 0.243 992 E C -0.492 175.967 176.600 -0.236 0.000 0.875 992 E CA -0.989 55.407 56.400 -0.007 0.000 0.872 992 E CB 0.531 30.353 29.700 0.205 0.000 1.476 992 E HN 0.560 nan 8.360 nan 0.000 0.394 993 H N -0.183 118.881 119.070 -0.010 0.000 2.309 993 H HA -0.160 4.395 4.556 -0.001 0.000 0.291 993 H C -1.255 174.080 175.328 0.011 0.000 0.807 993 H CA 0.958 57.004 56.048 -0.003 0.000 0.956 993 H CB -2.424 27.334 29.762 -0.008 0.000 1.545 993 H HN 0.501 nan 8.280 nan 0.000 0.284 994 T N 1.124 115.681 114.554 0.005 0.000 2.956 994 T HA 0.537 4.886 4.350 -0.001 0.000 0.312 994 T C -0.275 174.445 174.700 0.032 0.000 1.151 994 T CA -1.154 60.947 62.100 0.002 0.000 1.024 994 T CB 2.588 71.434 68.868 -0.038 0.000 1.140 994 T HN 0.612 nan 8.240 nan 0.000 0.473 995 Q N 1.609 121.441 119.800 0.053 0.000 2.259 995 Q HA 0.436 4.775 4.340 -0.001 0.000 0.246 995 Q C -0.198 175.817 176.000 0.025 0.000 0.920 995 Q CA -1.169 54.660 55.803 0.043 0.000 0.895 995 Q CB 1.000 29.775 28.738 0.062 0.000 1.220 995 Q HN 0.359 nan 8.270 nan 0.000 0.439 996 K N 1.647 122.051 120.400 0.006 0.000 2.350 996 K HA 0.144 4.464 4.320 -0.001 0.000 0.279 996 K C -0.600 175.993 176.600 -0.013 0.000 1.027 996 K CA -0.347 55.934 56.287 -0.010 0.000 0.969 996 K CB 0.372 32.857 32.500 -0.026 0.000 0.954 996 K HN 0.392 nan 8.250 nan 0.000 0.474 997 L N 3.257 124.469 121.223 -0.018 0.000 2.265 997 L HA 0.229 4.568 4.340 -0.001 0.000 0.289 997 L C -0.609 176.214 176.870 -0.079 0.000 1.033 997 L CA -0.125 54.696 54.840 -0.031 0.000 0.814 997 L CB 0.839 42.893 42.059 -0.008 0.000 1.203 997 L HN 0.418 nan 8.230 nan 0.000 0.423 998 D N 3.602 123.947 120.400 -0.090 0.000 2.462 998 D HA 0.131 4.770 4.640 -0.001 0.000 0.249 998 D C 1.149 177.348 176.300 -0.168 0.000 1.117 998 D CA -0.218 53.707 54.000 -0.125 0.000 0.900 998 D CB 1.082 41.846 40.800 -0.060 0.000 1.039 998 D HN 0.389 nan 8.370 nan 0.000 0.516 999 V N 1.118 120.835 119.914 -0.328 0.000 2.688 999 V HA -0.215 3.905 4.120 -0.001 0.000 0.256 999 V C 2.121 177.887 176.094 -0.546 0.000 1.084 999 V CA 1.164 63.087 62.300 -0.628 0.000 1.103 999 V CB -1.126 30.040 31.823 -1.096 0.000 0.688 999 V HN 0.582 nan 8.190 nan 0.000 0.480 1000 c N 0.460 118.884 118.600 -0.294 0.000 2.437 1000 c HA 0.035 4.604 4.570 -0.001 0.000 0.283 1000 c C 2.064 176.058 174.090 -0.161 0.000 1.424 1000 c CA 1.238 57.468 56.329 -0.165 0.000 1.782 1000 c CB -1.775 40.635 42.510 -0.167 0.000 1.833 1000 c HN 0.789 nan 8.230 nan 0.000 0.532 1001 H N -1.148 117.891 119.070 -0.051 0.000 2.542 1001 H HA 0.270 4.826 4.556 -0.001 0.000 0.283 1001 H C 1.689 177.045 175.328 0.047 0.000 1.059 1001 H CA -0.032 56.029 56.048 0.023 0.000 1.162 1001 H CB 0.072 29.829 29.762 -0.008 0.000 1.539 1001 H HN 0.326 nan 8.280 nan 0.000 0.543 1002 L N -0.103 121.176 121.223 0.093 0.000 2.141 1002 L HA -0.015 4.324 4.340 -0.001 0.000 0.209 1002 L C 0.185 177.190 176.870 0.226 0.000 1.094 1002 L CA 0.960 55.881 54.840 0.135 0.000 0.763 1002 L CB 0.106 42.215 42.059 0.083 0.000 0.908 1002 L HN 0.214 nan 8.230 nan 0.000 0.437 1003 L N 0.302 121.611 121.223 0.145 0.000 2.325 1003 L HA 0.391 4.730 4.340 -0.001 0.000 0.278 1003 L C -2.082 174.800 176.870 0.020 0.000 1.023 1003 L CA -2.014 52.826 54.840 0.000 0.000 0.811 1003 L CB 1.606 43.427 42.059 -0.398 0.000 1.249 1003 L HN -0.185 nan 8.230 nan 0.000 0.431 1004 P HA 0.091 nan 4.420 nan 0.000 0.274 1004 P C -0.773 176.617 177.300 0.150 0.000 1.256 1004 P CA -0.181 62.970 63.100 0.085 0.000 0.795 1004 P CB 0.434 32.168 31.700 0.056 0.000 1.038 1005 N N -3.090 115.692 118.700 0.137 0.000 2.754 1005 N HA -0.154 4.585 4.740 -0.001 0.000 0.248 1005 N C 0.044 175.646 175.510 0.154 0.000 1.093 1005 N CA 0.051 53.178 53.050 0.129 0.000 0.699 1005 N CB -1.873 36.680 38.487 0.109 0.000 1.016 1005 N HN 0.275 nan 8.380 nan 0.000 0.552 1006 V N 0.073 120.040 119.914 0.087 0.000 2.585 1006 V HA 0.390 4.510 4.120 -0.001 0.000 0.296 1006 V C 1.225 177.224 176.094 -0.158 0.000 1.035 1006 V CA 1.032 63.222 62.300 -0.184 0.000 1.084 1006 V CB 1.134 32.738 31.823 -0.365 0.000 0.953 1006 V HN 0.410 nan 8.190 nan 0.000 0.483 1007 A N 7.380 130.085 122.820 -0.192 0.000 2.167 1007 A HA 0.440 4.759 4.320 -0.001 0.000 0.208 1007 A C 0.783 178.324 177.584 -0.073 0.000 1.198 1007 A CA 0.503 52.486 52.037 -0.091 0.000 0.863 1007 A CB 0.161 19.126 19.000 -0.059 0.000 0.904 1007 A HN 0.975 nan 8.150 nan 0.000 0.484 1008 R N -2.595 117.829 120.500 -0.128 0.000 2.709 1008 R HA 0.573 4.912 4.340 -0.001 0.000 0.270 1008 R C -1.799 174.434 176.300 -0.111 0.000 1.038 1008 R CA -0.482 55.581 56.100 -0.061 0.000 0.872 1008 R CB 0.442 30.785 30.300 0.072 0.000 1.259 1008 R HN 0.187 nan 8.270 nan 0.000 0.473 1009 c N 1.359 119.904 118.600 -0.092 0.000 2.431 1009 c HA 0.619 5.189 4.570 -0.001 0.000 0.321 1009 c C -1.113 172.987 174.090 0.017 0.000 1.202 1009 c CA -0.010 56.286 56.329 -0.056 0.000 1.398 1009 c CB 1.151 43.602 42.510 -0.099 0.000 2.047 1009 c HN 0.953 nan 8.230 nan 0.000 0.465 1010 E N 3.137 123.407 120.200 0.117 0.000 2.293 1010 E HA 0.430 4.780 4.350 -0.001 0.000 0.270 1010 E C -1.033 175.716 176.600 0.249 0.000 0.879 1010 E CA -0.683 55.817 56.400 0.166 0.000 0.756 1010 E CB 1.943 31.731 29.700 0.148 0.000 1.208 1010 E HN 0.636 nan 8.360 nan 0.000 0.428 1011 R N 1.662 122.289 120.500 0.211 0.000 2.357 1011 R HA 0.362 4.701 4.340 -0.001 0.000 0.296 1011 R C -0.557 175.767 176.300 0.040 0.000 1.052 1011 R CA 0.126 56.280 56.100 0.090 0.000 0.988 1011 R CB 0.797 31.129 30.300 0.053 0.000 1.025 1011 R HN 0.747 nan 8.270 nan 0.000 0.469 1012 T N -0.437 114.117 114.554 -0.000 0.000 2.864 1012 T HA 0.353 4.702 4.350 -0.001 0.000 0.289 1012 T C 0.048 174.736 174.700 -0.019 0.000 1.082 1012 T CA -0.786 61.341 62.100 0.045 0.000 1.009 1012 T CB 1.348 70.316 68.868 0.167 0.000 1.234 1012 T HN 0.590 nan 8.240 nan 0.000 0.526 1013 T N 0.286 114.834 114.554 -0.010 0.000 2.802 1013 T HA 0.280 4.629 4.350 -0.001 0.000 0.305 1013 T C 1.680 176.306 174.700 -0.123 0.000 1.053 1013 T CA -0.812 61.257 62.100 -0.052 0.000 1.058 1013 T CB -0.010 68.844 68.868 -0.023 0.000 0.988 1013 T HN 0.570 nan 8.240 nan 0.000 0.539 1014 L N 1.026 122.155 121.223 -0.157 0.000 2.349 1014 L HA -0.065 4.275 4.340 -0.001 0.000 0.220 1014 L C 2.777 179.358 176.870 -0.481 0.000 1.130 1014 L CA 1.475 56.154 54.840 -0.268 0.000 0.791 1014 L CB -1.155 40.825 42.059 -0.131 0.000 0.918 1014 L HN 0.973 nan 8.230 nan 0.000 0.444 1015 T N -5.049 109.329 114.554 -0.293 0.000 3.107 1015 T HA 0.062 4.412 4.350 -0.001 0.000 0.249 1015 T C 0.877 175.488 174.700 -0.148 0.000 1.096 1015 T CA -0.199 61.761 62.100 -0.234 0.000 1.012 1015 T CB -0.253 68.600 68.868 -0.024 0.000 0.977 1015 T HN 0.330 nan 8.240 nan 0.000 0.527 1016 F N -0.652 119.312 119.950 0.024 0.000 2.794 1016 F HA -0.243 4.284 4.527 -0.001 0.000 0.335 1016 F C 1.216 177.020 175.800 0.006 0.000 0.653 1016 F CA 0.155 58.162 58.000 0.013 0.000 1.266 1016 F CB -2.025 36.979 39.000 0.007 0.000 1.666 1016 F HN 0.196 nan 8.300 nan 0.000 0.314 1017 L N -0.480 120.826 121.223 0.137 0.000 2.341 1017 L HA 0.003 4.342 4.340 -0.001 0.000 0.214 1017 L C 1.088 177.986 176.870 0.047 0.000 1.115 1017 L CA 1.250 56.137 54.840 0.079 0.000 0.820 1017 L CB -0.050 42.038 42.059 0.047 0.000 0.944 1017 L HN 0.319 nan 8.230 nan 0.000 0.452 1018 Q N 0.426 120.253 119.800 0.045 0.000 2.323 1018 Q HA 0.268 4.607 4.340 -0.001 0.000 0.271 1018 Q C -1.167 174.855 176.000 0.038 0.000 1.048 1018 Q CA -0.709 55.108 55.803 0.025 0.000 0.792 1018 Q CB 1.879 30.616 28.738 -0.001 0.000 1.280 1018 Q HN 0.104 nan 8.270 nan 0.000 0.441 1019 N N 4.467 123.189 118.700 0.036 0.000 2.458 1019 N HA 0.190 4.930 4.740 -0.001 0.000 0.270 1019 N C 0.284 175.816 175.510 0.036 0.000 1.102 1019 N CA 0.192 53.271 53.050 0.049 0.000 0.967 1019 N CB 1.172 39.689 38.487 0.051 0.000 1.078 1019 N HN 0.640 nan 8.380 nan 0.000 0.471 1020 L N 0.707 121.953 121.223 0.040 0.000 2.537 1020 L HA 0.285 4.624 4.340 -0.001 0.000 0.224 1020 L C 0.231 177.129 176.870 0.047 0.000 1.065 1020 L CA 0.607 55.464 54.840 0.027 0.000 0.860 1020 L CB 0.258 42.320 42.059 0.006 0.000 1.086 1020 L HN 0.392 nan 8.230 nan 0.000 0.482 1021 E N -1.165 119.081 120.200 0.076 0.000 2.335 1021 E HA 0.236 4.585 4.350 -0.001 0.000 0.280 1021 E C -1.478 175.211 176.600 0.149 0.000 0.918 1021 E CA -0.637 55.824 56.400 0.101 0.000 0.765 1021 E CB 2.319 32.074 29.700 0.091 0.000 1.218 1021 E HN -0.030 nan 8.360 nan 0.000 0.425 1022 H N 3.150 122.245 119.070 0.043 0.000 2.640 1022 H HA 0.314 4.870 4.556 -0.001 0.000 0.297 1022 H C -0.962 174.391 175.328 0.042 0.000 1.073 1022 H CA -0.312 55.759 56.048 0.037 0.000 1.305 1022 H CB 0.199 29.974 29.762 0.021 0.000 1.404 1022 H HN 0.291 nan 8.280 nan 0.000 0.459 1023 L N 4.930 126.016 121.223 -0.227 0.000 2.313 1023 L HA 0.181 4.520 4.340 -0.001 0.000 0.282 1023 L C 0.265 176.972 176.870 -0.271 0.000 1.092 1023 L CA -0.630 54.107 54.840 -0.172 0.000 0.831 1023 L CB 0.489 42.503 42.059 -0.074 0.000 1.159 1023 L HN 0.621 nan 8.230 nan 0.000 0.442 1024 D N 2.290 122.597 120.400 -0.155 0.000 2.399 1024 D HA 0.205 4.845 4.640 -0.001 0.000 0.241 1024 D C 1.214 177.468 176.300 -0.078 0.000 1.133 1024 D CA 1.191 55.124 54.000 -0.112 0.000 0.890 1024 D CB 1.230 42.004 40.800 -0.043 0.000 1.201 1024 D HN 0.783 nan 8.370 nan 0.000 0.432 1025 G N 1.900 110.670 108.800 -0.049 0.000 2.196 1025 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.268 1025 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.268 1025 G C 0.734 175.652 174.900 0.030 0.000 0.975 1025 G CA 0.559 45.653 45.100 -0.010 0.000 0.648 1025 G HN 0.639 nan 8.290 nan 0.000 0.538 1026 M N -2.400 117.177 119.600 -0.038 0.000 2.461 1026 M HA -0.188 4.291 4.480 -0.001 0.000 0.203 1026 M C -0.012 176.316 176.300 0.047 0.000 0.428 1026 M CA 0.898 56.172 55.300 -0.044 0.000 0.509 1026 M CB -1.897 30.670 32.600 -0.054 0.000 1.851 1026 M HN 0.233 nan 8.290 nan 0.000 0.834 1027 V N 0.700 120.617 119.914 0.004 0.000 2.384 1027 V HA 0.713 4.833 4.120 -0.001 0.000 0.287 1027 V C 0.603 176.613 176.094 -0.140 0.000 1.020 1027 V CA -0.372 61.919 62.300 -0.015 0.000 0.850 1027 V CB 1.790 33.590 31.823 -0.038 0.000 0.987 1027 V HN 0.395 nan 8.190 nan 0.000 0.436 1028 A N 8.351 131.009 122.820 -0.268 0.000 2.343 1028 A HA 0.671 4.991 4.320 -0.001 0.000 0.305 1028 A C -2.035 175.265 177.584 -0.473 0.000 1.308 1028 A CA -1.358 50.300 52.037 -0.631 0.000 0.949 1028 A CB -0.035 18.311 19.000 -1.090 0.000 1.148 1028 A HN 0.621 nan 8.150 nan 0.000 0.545 1029 P HA 0.142 nan 4.420 nan 0.000 0.272 1029 P C -0.286 176.985 177.300 -0.049 0.000 1.223 1029 P CA -0.102 62.934 63.100 -0.108 0.000 0.784 1029 P CB 0.827 32.517 31.700 -0.017 0.000 0.923 1030 E N 0.082 120.272 120.200 -0.016 0.000 2.392 1030 E HA 0.217 4.566 4.350 -0.001 0.000 0.256 1030 E C 0.316 176.962 176.600 0.077 0.000 1.145 1030 E CA -0.757 55.663 56.400 0.034 0.000 0.929 1030 E CB 0.448 30.152 29.700 0.007 0.000 0.998 1030 E HN 0.326 nan 8.360 nan 0.000 0.442 1031 V N -1.497 118.467 119.914 0.084 0.000 3.109 1031 V HA 0.341 4.460 4.120 -0.001 0.000 0.317 1031 V C 0.206 176.301 176.094 0.001 0.000 1.074 1031 V CA -1.082 61.255 62.300 0.062 0.000 1.033 1031 V CB 1.160 33.022 31.823 0.065 0.000 1.111 1031 V HN 0.744 nan 8.190 nan 0.000 0.458 1032 c N 1.742 120.338 118.600 -0.007 0.000 2.500 1032 c HA 0.474 5.044 4.570 -0.001 0.000 0.367 1032 c C -2.123 171.910 174.090 -0.096 0.000 1.283 1032 c CA -0.411 55.896 56.329 -0.037 0.000 2.456 1032 c CB 0.090 42.597 42.510 -0.006 0.000 2.457 1032 c HN 0.803 nan 8.230 nan 0.000 0.632 1033 P HA 0.071 nan 4.420 nan 0.000 0.265 1033 P C 0.218 177.356 177.300 -0.269 0.000 1.193 1033 P CA 0.861 63.823 63.100 -0.229 0.000 0.765 1033 P CB 0.192 31.740 31.700 -0.253 0.000 0.823 1034 M N -1.251 118.132 119.600 -0.361 0.000 2.908 1034 M HA -0.213 4.267 4.480 -0.001 0.000 0.191 1034 M C 0.201 176.463 176.300 -0.063 0.000 0.619 1034 M CA 1.160 56.217 55.300 -0.406 0.000 0.709 1034 M CB -2.464 29.580 32.600 -0.926 0.000 2.554 1034 M HN 0.485 nan 8.290 nan 0.000 0.356 1035 E N 0.251 120.416 120.200 -0.057 0.000 2.222 1035 E HA 0.613 4.962 4.350 -0.001 0.000 0.272 1035 E C -0.660 175.980 176.600 0.066 0.000 0.982 1035 E CA -0.244 56.212 56.400 0.093 0.000 0.842 1035 E CB 1.591 31.319 29.700 0.046 0.000 1.144 1035 E HN 0.183 nan 8.360 nan 0.000 0.397 1036 T N 1.627 116.250 114.554 0.114 0.000 2.881 1036 T HA 0.701 5.051 4.350 -0.001 0.000 0.290 1036 T C -1.244 173.458 174.700 0.003 0.000 1.000 1036 T CA -0.544 61.623 62.100 0.113 0.000 0.978 1036 T CB 1.494 70.446 68.868 0.140 0.000 0.997 1036 T HN 0.607 nan 8.240 nan 0.000 0.443 1037 A N 1.925 124.752 122.820 0.012 0.000 2.527 1037 A HA 1.013 5.332 4.320 -0.001 0.000 0.293 1037 A C -1.129 176.356 177.584 -0.165 0.000 1.117 1037 A CA -0.943 51.008 52.037 -0.144 0.000 0.723 1037 A CB 1.545 20.406 19.000 -0.232 0.000 1.313 1037 A HN 1.124 nan 8.150 nan 0.000 0.411 1038 A N 0.089 122.718 122.820 -0.319 0.000 2.386 1038 A HA 0.822 5.142 4.320 -0.001 0.000 0.311 1038 A C -1.551 175.879 177.584 -0.257 0.000 1.068 1038 A CA -0.355 51.626 52.037 -0.092 0.000 0.743 1038 A CB 0.778 19.756 19.000 -0.036 0.000 1.258 1038 A HN 0.871 nan 8.150 nan 0.000 0.429 1039 Y N 0.120 120.636 120.300 0.359 0.000 2.524 1039 Y HA 0.586 5.136 4.550 -0.001 0.000 0.347 1039 Y C -0.284 175.773 175.900 0.263 0.000 1.005 1039 Y CA -0.935 57.318 58.100 0.256 0.000 1.025 1039 Y CB 2.604 41.166 38.460 0.169 0.000 1.275 1039 Y HN 0.422 nan 8.280 nan 0.000 0.460 1040 V N 2.285 122.381 119.914 0.303 0.000 2.531 1040 V HA 0.488 4.607 4.120 -0.001 0.000 0.301 1040 V C -0.744 175.413 176.094 0.105 0.000 1.034 1040 V CA -0.891 61.480 62.300 0.117 0.000 0.865 1040 V CB 1.807 33.637 31.823 0.013 0.000 0.995 1040 V HN 0.818 nan 8.190 nan 0.000 0.424 1041 S N 3.246 119.007 115.700 0.101 0.000 2.475 1041 S HA 0.727 5.196 4.470 -0.001 0.000 0.298 1041 S C -0.284 174.194 174.600 -0.204 0.000 1.119 1041 S CA -0.605 57.571 58.200 -0.041 0.000 1.085 1041 S CB 1.648 64.889 63.200 0.068 0.000 1.028 1041 S HN 0.553 nan 8.310 nan 0.000 0.489 1042 S N 2.681 118.163 115.700 -0.364 0.000 2.475 1042 S HA 0.512 4.981 4.470 -0.001 0.000 0.298 1042 S C -0.822 173.423 174.600 -0.592 0.000 1.119 1042 S CA -0.770 57.246 58.200 -0.307 0.000 1.085 1042 S CB 0.416 63.535 63.200 -0.135 0.000 1.028 1042 S HN 0.778 nan 8.310 nan 0.000 0.489 1043 H N 1.004 120.061 119.070 -0.020 0.000 2.589 1043 H HA 0.418 4.973 4.556 -0.001 0.000 0.351 1043 H C -0.034 175.288 175.328 -0.010 0.000 1.074 1043 H CA -0.597 55.440 56.048 -0.018 0.000 1.203 1043 H CB 1.723 31.476 29.762 -0.016 0.000 1.558 1043 H HN 0.680 nan 8.280 nan 0.000 0.522 1044 S N 0.000 115.746 115.700 0.077 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.229 58.200 0.048 0.000 1.107 1044 S CB 0.000 63.216 63.200 0.027 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517