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 2f7q_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 0.000 174.101 174.090 0.018 0.000 1.270 31 c CA 0.000 56.335 56.329 0.010 0.000 1.963 31 c CB 0.000 42.501 42.510 -0.014 0.000 2.134 32 Q N 1.378 121.206 119.800 0.045 0.000 2.421 32 Q HA 0.177 4.517 4.340 -0.001 0.000 0.255 32 Q C -0.206 175.823 176.000 0.047 0.000 1.013 32 Q CA 0.314 56.159 55.803 0.070 0.000 0.895 32 Q CB 0.833 29.651 28.738 0.134 0.000 1.271 32 Q HN 0.682 nan 8.270 nan 0.000 0.460 33 D N 1.140 121.572 120.400 0.053 0.000 2.277 33 D HA 0.096 4.735 4.640 -0.001 0.000 0.249 33 D C 0.313 176.657 176.300 0.073 0.000 1.134 33 D CA -0.307 53.703 54.000 0.017 0.000 0.863 33 D CB 1.431 42.244 40.800 0.023 0.000 1.143 33 D HN 0.358 nan 8.370 nan 0.000 0.458 34 V N 1.987 121.894 119.914 -0.013 0.000 3.542 34 V HA 0.138 4.258 4.120 -0.001 0.000 0.296 34 V C 1.039 177.200 176.094 0.112 0.000 1.364 34 V CA -0.054 62.310 62.300 0.107 0.000 1.118 34 V CB 0.223 31.921 31.823 -0.207 0.000 0.972 34 V HN 0.394 nan 8.190 nan 0.000 0.430 35 V N -0.079 119.815 119.914 -0.033 0.000 3.013 35 V HA 0.086 4.205 4.120 -0.001 0.000 0.238 35 V C 2.309 178.385 176.094 -0.029 0.000 1.161 35 V CA 1.218 63.454 62.300 -0.107 0.000 1.170 35 V CB 0.056 31.771 31.823 -0.180 0.000 0.917 35 V HN 0.471 nan 8.190 nan 0.000 0.478 36 Q N -0.159 119.674 119.800 0.055 0.000 2.408 36 Q HA 0.099 4.439 4.340 -0.001 0.000 0.205 36 Q C -0.416 175.672 176.000 0.148 0.000 0.919 36 Q CA 0.423 56.279 55.803 0.088 0.000 0.932 36 Q CB 0.494 29.255 28.738 0.039 0.000 1.058 36 Q HN 0.513 nan 8.270 nan 0.000 0.517 37 D N 1.029 121.547 120.400 0.196 0.000 2.381 37 D HA 0.183 4.823 4.640 -0.001 0.000 0.235 37 D C -0.724 175.688 176.300 0.187 0.000 1.068 37 D CA -0.300 53.796 54.000 0.160 0.000 0.832 37 D CB 2.263 43.133 40.800 0.117 0.000 1.101 37 D HN -0.181 nan 8.370 nan 0.000 0.515 38 V N 4.563 124.553 119.914 0.127 0.000 2.446 38 V HA 0.112 4.231 4.120 -0.001 0.000 0.276 38 V C -1.825 174.244 176.094 -0.042 0.000 1.030 38 V CA -1.064 61.231 62.300 -0.008 0.000 1.033 38 V CB 0.382 32.208 31.823 0.005 0.000 0.993 38 V HN 0.320 nan 8.190 nan 0.000 0.477 39 P HA 0.056 nan 4.420 nan 0.000 0.266 39 P C -0.428 176.843 177.300 -0.049 0.000 1.195 39 P CA -0.052 63.015 63.100 -0.056 0.000 0.768 39 P CB 0.331 31.979 31.700 -0.087 0.000 0.838 40 N N 2.674 121.362 118.700 -0.021 0.000 2.462 40 N HA 0.335 5.075 4.740 -0.001 0.000 0.242 40 N C -1.055 174.446 175.510 -0.015 0.000 1.010 40 N CA -0.471 52.569 53.050 -0.016 0.000 0.939 40 N CB 0.113 38.599 38.487 -0.001 0.000 1.127 40 N HN 0.106 nan 8.380 nan 0.000 0.509 41 V N 0.412 120.310 119.914 -0.027 0.000 3.001 41 V HA 0.539 4.659 4.120 -0.001 0.000 0.314 41 V C 0.563 176.643 176.094 -0.024 0.000 1.099 41 V CA -0.748 61.539 62.300 -0.021 0.000 0.989 41 V CB 2.019 33.819 31.823 -0.039 0.000 1.040 41 V HN 0.399 nan 8.190 nan 0.000 0.434 42 D N 0.784 121.178 120.400 -0.011 0.000 2.144 42 D HA 0.028 4.668 4.640 -0.001 0.000 0.200 42 D C 0.472 176.741 176.300 -0.050 0.000 0.978 42 D CA 1.582 55.572 54.000 -0.016 0.000 0.833 42 D CB 0.503 41.310 40.800 0.011 0.000 0.961 42 D HN 0.413 nan 8.370 nan 0.000 0.470 43 V N 1.500 121.362 119.914 -0.087 0.000 2.483 43 V HA 0.213 4.332 4.120 -0.001 0.000 0.297 43 V C -0.363 175.634 176.094 -0.163 0.000 1.027 43 V CA -0.745 61.473 62.300 -0.137 0.000 0.855 43 V CB 2.416 34.111 31.823 -0.212 0.000 0.995 43 V HN -0.086 nan 8.190 nan 0.000 0.424 44 Q N 4.571 124.287 119.800 -0.140 0.000 2.341 44 Q HA 0.432 4.772 4.340 -0.001 0.000 0.268 44 Q C 0.451 176.351 176.000 -0.167 0.000 1.013 44 Q CA -0.694 55.018 55.803 -0.151 0.000 0.798 44 Q CB 1.892 30.563 28.738 -0.112 0.000 1.253 44 Q HN 0.676 nan 8.270 nan 0.000 0.457 45 M N 3.031 122.483 119.600 -0.246 0.000 2.202 45 M HA -0.174 4.305 4.480 -0.001 0.000 0.262 45 M C 1.627 177.820 176.300 -0.179 0.000 1.063 45 M CA 1.059 56.199 55.300 -0.268 0.000 1.097 45 M CB -0.819 31.486 32.600 -0.492 0.000 1.382 45 M HN 0.580 nan 8.290 nan 0.000 0.413 46 L N 0.598 121.711 121.223 -0.183 0.000 2.093 46 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 46 L C 2.467 179.331 176.870 -0.010 0.000 1.085 46 L CA 1.763 56.530 54.840 -0.122 0.000 0.755 46 L CB -0.608 41.352 42.059 -0.165 0.000 0.904 46 L HN 0.258 nan 8.230 nan 0.000 0.435 47 E N -0.366 119.813 120.200 -0.036 0.000 2.072 47 E HA -0.216 4.134 4.350 -0.001 0.000 0.191 47 E C 2.180 178.791 176.600 0.020 0.000 0.985 47 E CA 1.288 57.681 56.400 -0.011 0.000 0.801 47 E CB -0.261 29.418 29.700 -0.036 0.000 0.750 47 E HN 0.447 nan 8.360 nan 0.000 0.452 48 L N 0.537 121.771 121.223 0.018 0.000 2.042 48 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 48 L C 2.258 179.196 176.870 0.113 0.000 1.076 48 L CA 1.653 56.512 54.840 0.032 0.000 0.749 48 L CB -0.948 41.120 42.059 0.015 0.000 0.893 48 L HN 0.123 nan 8.230 nan 0.000 0.432 49 Y N -0.147 120.156 120.300 0.006 0.000 2.224 49 Y HA -0.235 4.314 4.550 -0.001 0.000 0.289 49 Y C 2.553 178.553 175.900 0.166 0.000 1.146 49 Y CA 1.635 59.829 58.100 0.157 0.000 1.182 49 Y CB -0.651 37.902 38.460 0.155 0.000 0.983 49 Y HN 0.353 nan 8.280 nan 0.000 0.524 50 D N -0.471 120.042 120.400 0.188 0.000 2.144 50 D HA -0.129 4.510 4.640 -0.001 0.000 0.199 50 D C 1.990 178.332 176.300 0.068 0.000 0.984 50 D CA 1.276 55.340 54.000 0.106 0.000 0.834 50 D CB 0.079 40.915 40.800 0.060 0.000 0.955 50 D HN 0.276 nan 8.370 nan 0.000 0.465 51 R N -1.004 119.519 120.500 0.038 0.000 2.140 51 R HA 0.187 4.526 4.340 -0.001 0.000 0.213 51 R C 0.919 177.197 176.300 -0.037 0.000 1.059 51 R CA 0.016 56.114 56.100 -0.004 0.000 1.000 51 R CB -0.013 30.270 30.300 -0.028 0.000 0.910 51 R HN 0.207 nan 8.270 nan 0.000 0.455 52 M N 1.054 120.598 119.600 -0.094 0.000 2.252 52 M HA -0.054 4.426 4.480 -0.001 0.000 0.333 52 M C 1.379 177.611 176.300 -0.114 0.000 1.111 52 M CA 0.299 55.443 55.300 -0.260 0.000 1.140 52 M CB 1.252 33.422 32.600 -0.717 0.000 1.538 52 M HN 0.082 nan 8.290 nan 0.000 0.448 53 S N 1.425 117.046 115.700 -0.131 0.000 2.503 53 S HA 0.076 4.546 4.470 -0.001 0.000 0.217 53 S C 0.649 175.351 174.600 0.170 0.000 0.999 53 S CA -0.205 58.017 58.200 0.037 0.000 0.914 53 S CB -0.209 62.996 63.200 0.009 0.000 0.782 53 S HN 0.766 nan 8.310 nan 0.000 0.520 54 F N 0.724 120.600 119.950 -0.123 0.000 3.084 54 F HA -0.148 4.378 4.527 -0.001 0.000 0.286 54 F C 0.228 176.039 175.800 0.018 0.000 0.855 54 F CA 0.401 58.334 58.000 -0.111 0.000 1.091 54 F CB -1.863 37.043 39.000 -0.156 0.000 1.177 54 F HN 0.111 nan 8.300 nan 0.000 0.542 55 K N 1.105 121.583 120.400 0.130 0.000 2.350 55 K HA 0.145 4.464 4.320 -0.001 0.000 0.279 55 K C 0.232 176.946 176.600 0.189 0.000 1.027 55 K CA -0.151 56.220 56.287 0.139 0.000 0.969 55 K CB 0.556 33.098 32.500 0.070 0.000 0.954 55 K HN 0.061 nan 8.250 nan 0.000 0.474 56 D N 3.741 124.268 120.400 0.212 0.000 2.524 56 D HA 0.151 4.791 4.640 -0.001 0.000 0.222 56 D C -0.176 176.172 176.300 0.080 0.000 1.142 56 D CA -0.466 53.665 54.000 0.219 0.000 0.973 56 D CB -0.543 40.391 40.800 0.223 0.000 1.025 56 D HN 0.482 nan 8.370 nan 0.000 0.519 57 I N -1.137 119.466 120.570 0.054 0.000 2.577 57 I HA 0.483 4.653 4.170 -0.001 0.000 0.305 57 I C 0.068 176.174 176.117 -0.018 0.000 0.986 57 I CA -0.956 60.353 61.300 0.014 0.000 1.189 57 I CB 1.524 39.532 38.000 0.013 0.000 1.355 57 I HN -0.108 nan 8.210 nan 0.000 0.476 58 D N 3.995 124.382 120.400 -0.022 0.000 2.346 58 D HA 0.146 4.785 4.640 -0.001 0.000 0.260 58 D C 0.928 177.210 176.300 -0.031 0.000 1.252 58 D CA 0.160 54.139 54.000 -0.034 0.000 0.895 58 D CB 1.431 42.220 40.800 -0.019 0.000 1.097 58 D HN 0.837 nan 8.370 nan 0.000 0.489 59 G N 2.421 111.183 108.800 -0.063 0.000 3.141 59 G HA2 0.436 4.395 3.960 -0.001 0.000 0.218 59 G HA3 0.436 4.395 3.960 -0.001 0.000 0.218 59 G C 0.875 175.768 174.900 -0.012 0.000 1.170 59 G CA 0.368 45.434 45.100 -0.056 0.000 0.769 59 G HN 0.902 nan 8.290 nan 0.000 0.546 60 G N -0.590 108.209 108.800 -0.002 0.000 2.445 60 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.212 60 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.212 60 G C 1.165 176.079 174.900 0.024 0.000 1.217 60 G CA 0.617 45.729 45.100 0.020 0.000 1.002 60 G HN 1.066 nan 8.290 nan 0.000 0.574 61 V N -3.667 116.260 119.914 0.023 0.000 2.490 61 V HA 0.089 4.208 4.120 -0.001 0.000 0.250 61 V C 1.418 177.531 176.094 0.031 0.000 1.061 61 V CA 2.386 64.681 62.300 -0.008 0.000 1.064 61 V CB -0.530 31.256 31.823 -0.061 0.000 0.670 61 V HN 1.344 nan 8.190 nan 0.000 0.461 62 W N 2.680 123.882 121.300 -0.163 0.000 2.318 62 W HA 0.444 5.104 4.660 -0.001 0.000 0.362 62 W C 1.107 177.578 176.519 -0.080 0.000 0.978 62 W CA -1.865 55.368 57.345 -0.187 0.000 1.509 62 W CB 0.315 29.632 29.460 -0.239 0.000 1.437 62 W HN 0.054 nan 8.180 nan 0.000 0.361 63 K N 2.686 123.145 120.400 0.099 0.000 2.160 63 K HA -0.205 4.114 4.320 -0.001 0.000 0.206 63 K C 0.879 177.387 176.600 -0.153 0.000 1.047 63 K CA 1.574 57.838 56.287 -0.038 0.000 0.930 63 K CB 0.125 32.601 32.500 -0.040 0.000 0.720 63 K HN 0.570 nan 8.250 nan 0.000 0.450 64 Q N -0.809 118.860 119.800 -0.219 0.000 2.198 64 Q HA 0.146 4.485 4.340 -0.001 0.000 0.209 64 Q C 0.901 176.547 176.000 -0.590 0.000 0.848 64 Q CA -0.274 55.385 55.803 -0.239 0.000 0.974 64 Q CB 1.282 30.027 28.738 0.012 0.000 1.115 64 Q HN 0.245 nan 8.270 nan 0.000 0.494 65 G N 0.667 108.663 108.800 -1.339 0.000 3.387 65 G HA2 0.510 4.470 3.960 -0.001 0.000 0.194 65 G HA3 0.510 4.470 3.960 -0.001 0.000 0.194 65 G C -1.352 173.231 174.900 -0.529 0.000 1.417 65 G CA -0.266 43.745 45.100 -1.815 0.000 0.777 65 G HN 0.358 nan 8.290 nan 0.000 0.721 66 W N -1.492 119.518 121.300 -0.484 0.000 2.959 66 W HA 0.608 5.268 4.660 -0.001 0.000 0.358 66 W C -1.457 175.134 176.519 0.119 0.000 1.228 66 W CA -1.186 56.096 57.345 -0.106 0.000 1.183 66 W CB 0.594 30.015 29.460 -0.064 0.000 1.467 66 W HN 0.178 nan 8.180 nan 0.000 0.578 67 N N 2.202 121.057 118.700 0.259 0.000 2.406 67 N HA 0.203 4.942 4.740 -0.001 0.000 0.265 67 N C -0.188 175.454 175.510 0.221 0.000 1.203 67 N CA 0.107 53.259 53.050 0.170 0.000 0.945 67 N CB 0.328 38.914 38.487 0.165 0.000 1.165 67 N HN 0.405 nan 8.380 nan 0.000 0.485 68 I N 1.951 122.549 120.570 0.046 0.000 2.634 68 I HA 0.057 4.226 4.170 -0.001 0.000 0.284 68 I C 0.806 177.081 176.117 0.263 0.000 1.124 68 I CA 0.211 61.607 61.300 0.160 0.000 1.417 68 I CB 0.561 38.604 38.000 0.070 0.000 1.396 68 I HN 0.140 nan 8.210 nan 0.000 0.571 69 K N 5.492 126.087 120.400 0.323 0.000 2.318 69 K HA 0.602 4.922 4.320 -0.001 0.000 0.249 69 K C -1.435 175.334 176.600 0.283 0.000 0.942 69 K CA -0.682 55.731 56.287 0.209 0.000 0.808 69 K CB 2.416 35.003 32.500 0.145 0.000 1.189 69 K HN 0.478 nan 8.250 nan 0.000 0.428 70 Y N -1.952 118.437 120.300 0.148 0.000 2.615 70 Y HA 0.451 5.001 4.550 -0.001 0.000 0.341 70 Y C -1.121 174.850 175.900 0.120 0.000 1.089 70 Y CA -1.578 56.611 58.100 0.148 0.000 1.049 70 Y CB 1.068 39.635 38.460 0.179 0.000 1.296 70 Y HN 0.387 nan 8.280 nan 0.000 0.470 71 D N 3.511 124.048 120.400 0.228 0.000 2.347 71 D HA 0.287 4.927 4.640 -0.001 0.000 0.235 71 D C -1.661 174.785 176.300 0.244 0.000 1.149 71 D CA -2.765 51.312 54.000 0.130 0.000 0.850 71 D CB 1.515 42.373 40.800 0.096 0.000 1.061 71 D HN 0.431 nan 8.370 nan 0.000 0.487 72 P HA -0.120 nan 4.420 nan 0.000 0.223 72 P C 1.322 178.761 177.300 0.232 0.000 1.144 72 P CA 0.672 63.950 63.100 0.297 0.000 0.783 72 P CB 0.361 32.175 31.700 0.190 0.000 0.771 73 L N -0.675 120.635 121.223 0.145 0.000 2.599 73 L HA 0.083 4.422 4.340 -0.001 0.000 0.230 73 L C 2.637 179.551 176.870 0.074 0.000 1.141 73 L CA 0.386 55.290 54.840 0.106 0.000 0.877 73 L CB -0.610 41.489 42.059 0.067 0.000 1.009 73 L HN -0.022 nan 8.230 nan 0.000 0.447 74 K N 0.344 120.771 120.400 0.046 0.000 2.097 74 K HA -0.143 4.177 4.320 -0.001 0.000 0.206 74 K C -0.086 176.380 176.600 -0.222 0.000 1.049 74 K CA 1.129 57.330 56.287 -0.143 0.000 0.933 74 K CB 0.112 32.450 32.500 -0.271 0.000 0.717 74 K HN 0.051 nan 8.250 nan 0.000 0.442 75 Y N 0.771 121.191 120.300 0.200 0.000 2.361 75 Y HA 0.258 4.808 4.550 -0.000 0.000 0.332 75 Y C -0.017 175.961 175.900 0.129 0.000 1.101 75 Y CA -0.993 57.212 58.100 0.174 0.000 1.137 75 Y CB 1.477 39.990 38.460 0.088 0.000 1.207 75 Y HN 0.282 nan 8.280 nan 0.000 0.463 76 N N -0.692 118.157 118.700 0.249 0.000 3.277 76 N HA 0.493 5.233 4.740 -0.001 0.000 0.278 76 N C 0.051 175.594 175.510 0.054 0.000 1.544 76 N CA -0.390 52.739 53.050 0.131 0.000 0.869 76 N CB 0.328 38.883 38.487 0.113 0.000 1.584 76 N HN 0.461 nan 8.380 nan 0.000 0.564 77 A N -1.134 121.639 122.820 -0.078 0.000 1.986 77 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 77 A C 1.043 178.447 177.584 -0.299 0.000 1.171 77 A CA 1.496 53.393 52.037 -0.234 0.000 0.640 77 A CB -1.100 17.668 19.000 -0.385 0.000 0.811 77 A HN 0.695 nan 8.150 nan 0.000 0.451 78 H N -2.868 116.260 119.070 0.097 0.000 2.539 78 H HA 0.139 4.694 4.556 -0.001 0.000 0.269 78 H C -0.336 175.099 175.328 0.178 0.000 0.980 78 H CA 0.786 56.897 56.048 0.105 0.000 1.152 78 H CB 0.127 29.938 29.762 0.083 0.000 1.407 78 H HN 0.701 nan 8.280 nan 0.000 0.564 79 H N 0.492 119.643 119.070 0.136 0.000 2.699 79 H HA 0.292 4.847 4.556 -0.000 0.000 0.256 79 H C -0.662 174.805 175.328 0.232 0.000 1.376 79 H CA -0.469 55.674 56.048 0.159 0.000 1.549 79 H CB 0.210 30.052 29.762 0.133 0.000 1.686 79 H HN -0.050 nan 8.280 nan 0.000 0.550 80 K N 1.842 122.201 120.400 -0.068 0.000 2.090 80 K HA 0.328 4.648 4.320 -0.001 0.000 0.249 80 K C -0.681 175.752 176.600 -0.279 0.000 0.995 80 K CA -1.261 54.970 56.287 -0.094 0.000 0.914 80 K CB 1.543 33.974 32.500 -0.115 0.000 1.057 80 K HN 0.226 nan 8.250 nan 0.000 0.462 81 L N 2.168 123.092 121.223 -0.499 0.000 2.260 81 L HA 0.191 4.530 4.340 -0.001 0.000 0.289 81 L C -0.973 175.621 176.870 -0.460 0.000 1.057 81 L CA 0.160 54.576 54.840 -0.707 0.000 0.811 81 L CB 0.215 41.634 42.059 -1.066 0.000 1.184 81 L HN 0.363 nan 8.230 nan 0.000 0.429 82 K N 4.407 124.569 120.400 -0.396 0.000 2.248 82 K HA 0.526 4.845 4.320 -0.001 0.000 0.281 82 K C -1.052 175.196 176.600 -0.587 0.000 1.054 82 K CA -0.519 55.484 56.287 -0.473 0.000 0.903 82 K CB 1.538 33.810 32.500 -0.380 0.000 1.077 82 K HN 0.406 nan 8.250 nan 0.000 0.474 83 V N 4.734 124.181 119.914 -0.778 0.000 2.417 83 V HA 0.379 4.499 4.120 -0.001 0.000 0.291 83 V C -0.930 174.588 176.094 -0.959 0.000 1.024 83 V CA -0.788 61.003 62.300 -0.848 0.000 0.861 83 V CB 0.745 31.875 31.823 -1.155 0.000 0.985 83 V HN 0.540 nan 8.190 nan 0.000 0.436 84 F N 3.653 123.347 119.950 -0.426 0.000 2.402 84 F HA 0.511 5.037 4.527 -0.001 0.000 0.355 84 F C 0.152 175.769 175.800 -0.306 0.000 1.123 84 F CA -0.699 57.106 58.000 -0.325 0.000 1.021 84 F CB 1.811 40.695 39.000 -0.193 0.000 1.160 84 F HN 0.169 nan 8.300 nan 0.000 0.451 85 V N 5.130 125.009 119.914 -0.059 0.000 2.385 85 V HA 0.313 4.433 4.120 -0.001 0.000 0.269 85 V C -0.245 175.952 176.094 0.172 0.000 1.043 85 V CA -0.618 61.714 62.300 0.054 0.000 0.906 85 V CB 1.301 33.230 31.823 0.177 0.000 0.995 85 V HN 0.435 nan 8.190 nan 0.000 0.467 86 V N 8.485 128.451 119.914 0.087 0.000 2.293 86 V HA 0.322 4.442 4.120 -0.001 0.000 0.275 86 V C -2.359 173.782 176.094 0.078 0.000 1.021 86 V CA -1.931 60.388 62.300 0.032 0.000 0.815 86 V CB 1.522 33.270 31.823 -0.126 0.000 1.025 86 V HN 0.723 nan 8.190 nan 0.000 0.448 87 P HA 0.344 nan 4.420 nan 0.000 0.271 87 P C -0.890 176.432 177.300 0.035 0.000 1.216 87 P CA 0.241 63.333 63.100 -0.014 0.000 0.776 87 P CB 0.382 31.889 31.700 -0.323 0.000 0.881 88 H N -1.285 117.801 119.070 0.027 0.000 2.981 88 H HA 0.783 5.338 4.556 -0.001 0.000 0.327 88 H C -1.521 173.922 175.328 0.191 0.000 1.342 88 H CA -1.104 54.851 56.048 -0.154 0.000 1.123 88 H CB 0.879 30.502 29.762 -0.231 0.000 1.851 88 H HN 0.198 nan 8.280 nan 0.000 0.531 89 S N 0.619 116.357 115.700 0.063 0.000 2.750 89 S HA 0.203 4.673 4.470 -0.001 0.000 0.276 89 S C -1.825 172.709 174.600 -0.110 0.000 1.165 89 S CA -0.666 57.609 58.200 0.126 0.000 1.047 89 S CB 0.198 63.657 63.200 0.432 0.000 1.056 89 S HN 0.839 nan 8.310 nan 0.000 0.481 90 H N 4.523 123.501 119.070 -0.153 0.000 2.864 90 H HA 0.401 4.957 4.556 -0.001 0.000 0.281 90 H C -0.096 174.827 175.328 -0.676 0.000 1.093 90 H CA 0.360 56.217 56.048 -0.317 0.000 1.453 90 H CB 0.143 29.757 29.762 -0.248 0.000 1.462 90 H HN 0.548 nan 8.280 nan 0.000 0.480 91 N N 5.570 123.612 118.700 -1.095 0.000 2.511 91 N HA 0.063 4.802 4.740 -0.001 0.000 0.249 91 N C -1.141 173.890 175.510 -0.798 0.000 0.971 91 N CA -0.617 51.628 53.050 -1.342 0.000 0.938 91 N CB 1.132 39.147 38.487 -0.785 0.000 1.131 91 N HN 0.650 nan 8.380 nan 0.000 0.505 92 D N 2.676 122.645 120.400 -0.718 0.000 2.343 92 D HA 0.115 4.755 4.640 -0.001 0.000 0.255 92 D C -2.078 174.273 176.300 0.085 0.000 1.187 92 D CA -0.934 52.921 54.000 -0.242 0.000 0.875 92 D CB 1.517 42.442 40.800 0.209 0.000 1.136 92 D HN 0.173 nan 8.370 nan 0.000 0.469 93 P HA 0.185 nan 4.420 nan 0.000 0.226 93 P C -0.097 177.421 177.300 0.363 0.000 1.783 93 P CA 0.093 63.219 63.100 0.042 0.000 0.980 93 P CB 0.182 31.769 31.700 -0.187 0.000 1.967 94 G N 0.241 109.434 108.800 0.655 0.000 3.069 94 G HA2 0.028 3.988 3.960 -0.001 0.000 0.686 94 G HA3 0.028 3.988 3.960 -0.001 0.000 0.686 94 G C -1.127 174.326 174.900 0.922 0.000 1.161 94 G CA -0.688 44.831 45.100 0.698 0.000 0.804 94 G HN 0.337 nan 8.290 nan 0.000 0.608 95 W N 2.475 124.129 121.300 0.590 0.000 4.489 95 W HA 0.304 4.963 4.660 -0.001 0.000 0.161 95 W C 0.798 177.498 176.519 0.301 0.000 3.472 95 W CA 0.865 58.518 57.345 0.515 0.000 1.144 95 W CB -0.805 29.047 29.460 0.653 0.000 2.110 95 W HN 0.535 nan 8.180 nan 0.000 0.358 96 I N 1.928 122.482 120.570 -0.027 0.000 3.030 96 I HA 0.162 4.331 4.170 -0.001 0.000 0.270 96 I C 0.490 176.463 176.117 -0.241 0.000 1.211 96 I CA 1.105 62.194 61.300 -0.353 0.000 1.479 96 I CB -0.987 36.766 38.000 -0.412 0.000 1.105 96 I HN 0.100 nan 8.210 nan 0.000 0.447 97 Q N -0.415 119.092 119.800 -0.488 0.000 2.458 97 Q HA 0.370 4.710 4.340 -0.001 0.000 0.282 97 Q C 0.099 175.853 176.000 -0.411 0.000 1.106 97 Q CA -0.634 54.833 55.803 -0.560 0.000 0.814 97 Q CB 2.255 30.339 28.738 -1.089 0.000 1.425 97 Q HN 0.234 nan 8.270 nan 0.000 0.437 98 T N -2.110 112.318 114.554 -0.210 0.000 2.788 98 T HA 0.130 4.479 4.350 -0.001 0.000 0.287 98 T C 0.815 175.611 174.700 0.161 0.000 1.007 98 T CA -0.467 61.583 62.100 -0.083 0.000 1.005 98 T CB 0.309 69.160 68.868 -0.028 0.000 1.012 98 T HN 0.569 nan 8.240 nan 0.000 0.530 99 F N 1.229 121.249 119.950 0.118 0.000 2.063 99 F HA -0.164 4.363 4.527 -0.001 0.000 0.298 99 F C 2.465 178.447 175.800 0.304 0.000 1.109 99 F CA 2.418 60.563 58.000 0.242 0.000 1.212 99 F CB -0.370 38.662 39.000 0.053 0.000 0.973 99 F HN 0.778 nan 8.300 nan 0.000 0.480 100 E N 0.381 120.814 120.200 0.388 0.000 2.106 100 E HA -0.184 4.166 4.350 -0.001 0.000 0.192 100 E C 2.010 178.661 176.600 0.084 0.000 0.984 100 E CA 1.770 58.327 56.400 0.260 0.000 0.806 100 E CB -0.286 29.559 29.700 0.242 0.000 0.750 100 E HN 0.630 nan 8.360 nan 0.000 0.458 101 E N -1.041 119.147 120.200 -0.021 0.000 2.047 101 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 101 E C 1.866 178.241 176.600 -0.376 0.000 0.987 101 E CA 1.132 57.344 56.400 -0.314 0.000 0.799 101 E CB -0.257 29.329 29.700 -0.190 0.000 0.752 101 E HN 0.349 nan 8.360 nan 0.000 0.449 102 Y N -0.391 119.842 120.300 -0.112 0.000 2.181 102 Y HA -0.265 4.284 4.550 -0.001 0.000 0.288 102 Y C 2.244 178.053 175.900 -0.152 0.000 1.146 102 Y CA 1.317 59.331 58.100 -0.143 0.000 1.164 102 Y CB -0.770 37.696 38.460 0.009 0.000 0.982 102 Y HN 0.180 nan 8.280 nan 0.000 0.515 103 Y N 0.905 121.200 120.300 -0.008 0.000 2.128 103 Y HA -0.292 4.257 4.550 -0.001 0.000 0.284 103 Y C 2.302 178.146 175.900 -0.094 0.000 1.154 103 Y CA 1.896 59.939 58.100 -0.095 0.000 1.149 103 Y CB -0.390 38.013 38.460 -0.095 0.000 0.976 103 Y HN 0.070 nan 8.280 nan 0.000 0.505 104 Q N -0.656 119.028 119.800 -0.194 0.000 2.079 104 Q HA -0.163 4.176 4.340 -0.001 0.000 0.200 104 Q C 2.132 178.090 176.000 -0.070 0.000 0.974 104 Q CA 2.166 57.835 55.803 -0.223 0.000 0.840 104 Q CB -0.571 28.087 28.738 -0.133 0.000 0.898 104 Q HN 0.777 nan 8.270 nan 0.000 0.430 105 H N -0.769 118.311 119.070 0.017 0.000 2.482 105 H HA 0.055 4.610 4.556 -0.001 0.000 0.286 105 H C 0.914 176.329 175.328 0.144 0.000 1.017 105 H CA 0.652 56.748 56.048 0.079 0.000 1.322 105 H CB 0.667 30.441 29.762 0.019 0.000 1.426 105 H HN 0.210 nan 8.280 nan 0.000 0.546 106 D N -1.043 119.449 120.400 0.153 0.000 2.954 106 D HA 0.007 4.646 4.640 -0.001 0.000 0.266 106 D C 1.703 178.040 176.300 0.063 0.000 1.277 106 D CA 0.503 54.584 54.000 0.135 0.000 1.130 106 D CB 0.027 40.814 40.800 -0.022 0.000 1.440 106 D HN 0.067 nan 8.370 nan 0.000 0.427 107 T N 2.525 117.032 114.554 -0.079 0.000 2.788 107 T HA -0.143 4.207 4.350 -0.001 0.000 0.268 107 T C 1.938 176.448 174.700 -0.318 0.000 1.044 107 T CA 1.380 63.398 62.100 -0.137 0.000 1.139 107 T CB -0.072 68.561 68.868 -0.391 0.000 0.867 107 T HN 0.259 nan 8.240 nan 0.000 0.454 108 K N 0.607 120.626 120.400 -0.635 0.000 2.211 108 K HA -0.101 4.219 4.320 -0.001 0.000 0.203 108 K C 1.894 178.218 176.600 -0.460 0.000 1.050 108 K CA 1.239 57.142 56.287 -0.641 0.000 0.945 108 K CB -0.323 31.596 32.500 -0.969 0.000 0.732 108 K HN 0.387 nan 8.250 nan 0.000 0.451 109 H N 1.062 120.048 119.070 -0.140 0.000 2.403 109 H HA 0.076 4.632 4.556 -0.001 0.000 0.298 109 H C 2.248 177.571 175.328 -0.008 0.000 1.059 109 H CA 1.256 57.283 56.048 -0.034 0.000 1.363 109 H CB -0.118 29.650 29.762 0.011 0.000 1.410 109 H HN 0.173 nan 8.280 nan 0.000 0.528 110 I N 0.738 121.375 120.570 0.111 0.000 2.179 110 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 110 I C 2.403 178.520 176.117 0.000 0.000 1.088 110 I CA 1.083 62.497 61.300 0.191 0.000 1.357 110 I CB -0.237 37.952 38.000 0.315 0.000 1.051 110 I HN 0.091 nan 8.210 nan 0.000 0.409 111 L N -0.520 120.473 121.223 -0.383 0.000 2.109 111 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 111 L C 2.721 179.236 176.870 -0.592 0.000 1.086 111 L CA 1.123 55.492 54.840 -0.786 0.000 0.760 111 L CB -0.509 40.436 42.059 -1.857 0.000 0.910 111 L HN 0.227 nan 8.230 nan 0.000 0.437 112 S N 0.225 115.697 115.700 -0.380 0.000 2.368 112 S HA -0.159 4.311 4.470 -0.001 0.000 0.225 112 S C 1.819 176.393 174.600 -0.044 0.000 1.030 112 S CA 1.571 59.806 58.200 0.058 0.000 0.999 112 S CB -0.163 63.135 63.200 0.164 0.000 0.844 112 S HN 0.441 nan 8.310 nan 0.000 0.459 113 N N 1.632 120.291 118.700 -0.067 0.000 2.270 113 N HA 0.106 4.845 4.740 -0.001 0.000 0.181 113 N C 1.845 177.004 175.510 -0.586 0.000 1.016 113 N CA 1.124 54.059 53.050 -0.192 0.000 0.870 113 N CB -0.825 37.661 38.487 -0.002 0.000 0.979 113 N HN 0.497 nan 8.380 nan 0.000 0.431 114 A N 1.261 123.800 122.820 -0.468 0.000 1.902 114 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 114 A C 2.196 179.489 177.584 -0.486 0.000 1.181 114 A CA 1.004 52.588 52.037 -0.755 0.000 0.623 114 A CB -0.743 18.095 19.000 -0.271 0.000 0.818 114 A HN 0.229 nan 8.150 nan 0.000 0.443 115 L N -0.023 121.067 121.223 -0.221 0.000 1.989 115 L HA -0.170 4.170 4.340 -0.001 0.000 0.211 115 L C 2.461 179.265 176.870 -0.110 0.000 1.071 115 L CA 2.510 57.301 54.840 -0.082 0.000 0.749 115 L CB -0.686 41.399 42.059 0.044 0.000 0.890 115 L HN 0.453 nan 8.230 nan 0.000 0.431 116 R N -1.390 119.020 120.500 -0.150 0.000 2.073 116 R HA -0.214 4.125 4.340 -0.001 0.000 0.234 116 R C 2.467 178.678 176.300 -0.149 0.000 1.134 116 R CA 1.833 57.866 56.100 -0.111 0.000 0.952 116 R CB -0.812 29.430 30.300 -0.097 0.000 0.850 116 R HN 0.607 nan 8.270 nan 0.000 0.433 117 H N 0.578 119.359 119.070 -0.482 0.000 2.389 117 H HA -0.040 4.516 4.556 -0.001 0.000 0.299 117 H C 2.177 177.273 175.328 -0.386 0.000 1.081 117 H CA 1.634 57.370 56.048 -0.519 0.000 1.345 117 H CB 0.138 29.316 29.762 -0.973 0.000 1.393 117 H HN 0.190 nan 8.280 nan 0.000 0.520 118 L N -0.449 120.594 121.223 -0.300 0.000 2.072 118 L HA -0.175 4.165 4.340 -0.001 0.000 0.205 118 L C 2.799 179.621 176.870 -0.080 0.000 1.079 118 L CA 1.170 55.914 54.840 -0.159 0.000 0.752 118 L CB -0.801 41.185 42.059 -0.121 0.000 0.906 118 L HN 0.393 nan 8.230 nan 0.000 0.436 119 H N 0.716 119.706 119.070 -0.135 0.000 2.319 119 H HA -0.212 4.343 4.556 -0.001 0.000 0.297 119 H C 1.279 176.548 175.328 -0.098 0.000 1.097 119 H CA 2.092 58.088 56.048 -0.087 0.000 1.285 119 H CB 0.209 29.928 29.762 -0.073 0.000 1.368 119 H HN 0.330 nan 8.280 nan 0.000 0.495 120 D N 0.370 120.665 120.400 -0.174 0.000 2.347 120 D HA -0.011 4.629 4.640 -0.001 0.000 0.215 120 D C -0.023 176.142 176.300 -0.225 0.000 0.976 120 D CA 0.535 54.397 54.000 -0.230 0.000 0.884 120 D CB -0.006 40.689 40.800 -0.174 0.000 0.915 120 D HN 0.348 nan 8.370 nan 0.000 0.526 121 N N 0.561 119.138 118.700 -0.204 0.000 2.716 121 N HA 0.135 4.874 4.740 -0.001 0.000 0.253 121 N C -2.180 173.295 175.510 -0.059 0.000 1.170 121 N CA -1.074 51.901 53.050 -0.126 0.000 0.807 121 N CB 2.356 40.755 38.487 -0.146 0.000 1.183 121 N HN -0.155 nan 8.380 nan 0.000 0.524 122 P HA -0.160 nan 4.420 nan 0.000 0.217 122 P C 0.883 178.204 177.300 0.034 0.000 1.148 122 P CA 1.410 64.498 63.100 -0.021 0.000 0.834 122 P CB 0.484 32.168 31.700 -0.026 0.000 0.783 123 E N -1.925 118.325 120.200 0.084 0.000 2.474 123 E HA 0.066 4.415 4.350 -0.001 0.000 0.194 123 E C 0.824 177.560 176.600 0.227 0.000 1.041 123 E CA 0.037 56.535 56.400 0.163 0.000 0.874 123 E CB -0.407 29.425 29.700 0.221 0.000 0.914 123 E HN 0.266 nan 8.360 nan 0.000 0.498 124 M N 1.777 121.445 119.600 0.114 0.000 2.242 124 M HA 0.114 4.594 4.480 -0.001 0.000 0.344 124 M C -0.324 175.960 176.300 -0.026 0.000 1.140 124 M CA 0.127 55.390 55.300 -0.061 0.000 1.160 124 M CB 0.497 33.068 32.600 -0.049 0.000 1.491 124 M HN -0.340 nan 8.290 nan 0.000 0.459 125 K N 3.209 123.559 120.400 -0.083 0.000 2.395 125 K HA 0.671 4.990 4.320 -0.001 0.000 0.245 125 K C -1.672 174.976 176.600 0.081 0.000 1.017 125 K CA -0.520 55.779 56.287 0.020 0.000 0.852 125 K CB 2.187 34.722 32.500 0.058 0.000 1.311 125 K HN 0.683 nan 8.250 nan 0.000 0.452 126 F N 1.277 121.146 119.950 -0.134 0.000 2.672 126 F HA 0.431 4.958 4.527 -0.001 0.000 0.311 126 F C -1.589 174.104 175.800 -0.178 0.000 1.113 126 F CA -1.214 56.693 58.000 -0.155 0.000 0.996 126 F CB 1.030 40.017 39.000 -0.022 0.000 1.286 126 F HN 0.462 nan 8.300 nan 0.000 0.441 127 I N 1.999 122.225 120.570 -0.573 0.000 2.562 127 I HA 0.568 4.738 4.170 -0.001 0.000 0.301 127 I C -1.681 173.998 176.117 -0.730 0.000 1.003 127 I CA -0.611 60.317 61.300 -0.621 0.000 1.127 127 I CB 2.366 39.934 38.000 -0.720 0.000 1.304 127 I HN 0.711 nan 8.210 nan 0.000 0.446 128 W N 4.895 125.792 121.300 -0.672 0.000 2.839 128 W HA 0.633 5.293 4.660 -0.001 0.000 0.334 128 W C -0.639 175.795 176.519 -0.142 0.000 1.064 128 W CA -0.594 56.487 57.345 -0.440 0.000 1.236 128 W CB 2.632 31.897 29.460 -0.325 0.000 1.405 128 W HN 0.791 nan 8.180 nan 0.000 0.478 129 A N 3.551 125.983 122.820 -0.645 0.000 1.993 129 A HA 0.132 4.451 4.320 -0.001 0.000 0.207 129 A C 0.066 177.587 177.584 -0.105 0.000 1.224 129 A CA 0.506 52.408 52.037 -0.226 0.000 0.749 129 A CB -0.019 18.908 19.000 -0.121 0.000 0.884 129 A HN 0.529 nan 8.150 nan 0.000 0.467 130 E N 1.081 121.088 120.200 -0.321 0.000 1.963 130 E HA 0.282 4.632 4.350 -0.001 0.000 0.274 130 E C 0.485 177.256 176.600 0.285 0.000 1.061 130 E CA -0.273 56.131 56.400 0.007 0.000 0.847 130 E CB 0.638 30.336 29.700 -0.003 0.000 1.083 130 E HN 0.281 nan 8.360 nan 0.000 0.402 131 I N 1.471 122.118 120.570 0.127 0.000 2.546 131 I HA -0.212 3.957 4.170 -0.001 0.000 0.255 131 I C 1.961 177.764 176.117 -0.523 0.000 1.163 131 I CA 0.959 62.265 61.300 0.010 0.000 1.457 131 I CB -1.415 36.637 38.000 0.088 0.000 1.092 131 I HN 0.407 nan 8.210 nan 0.000 0.434 132 S N 1.046 116.134 115.700 -1.021 0.000 2.365 132 S HA -0.268 4.201 4.470 -0.001 0.000 0.225 132 S C 2.147 176.410 174.600 -0.560 0.000 1.039 132 S CA 1.315 58.436 58.200 -1.799 0.000 1.033 132 S CB -1.037 61.214 63.200 -1.581 0.000 0.887 132 S HN 0.354 nan 8.310 nan 0.000 0.447 133 Y N 0.589 120.891 120.300 0.003 0.000 2.220 133 Y HA 0.145 4.694 4.550 -0.001 0.000 0.291 133 Y C 2.212 178.155 175.900 0.071 0.000 1.129 133 Y CA 0.249 58.447 58.100 0.164 0.000 1.161 133 Y CB -0.925 37.735 38.460 0.334 0.000 0.997 133 Y HN 0.318 nan 8.280 nan 0.000 0.522 134 F N -0.083 119.944 119.950 0.129 0.000 2.134 134 F HA -0.171 4.355 4.527 -0.001 0.000 0.299 134 F C 2.336 177.949 175.800 -0.311 0.000 1.097 134 F CA 1.290 59.236 58.000 -0.088 0.000 1.264 134 F CB -0.467 38.468 39.000 -0.109 0.000 1.001 134 F HN -0.017 nan 8.300 nan 0.000 0.479 135 A N 0.054 122.508 122.820 -0.610 0.000 1.898 135 A HA -0.188 4.131 4.320 -0.001 0.000 0.216 135 A C 2.147 179.603 177.584 -0.214 0.000 1.181 135 A CA 1.639 53.128 52.037 -0.913 0.000 0.620 135 A CB -0.720 17.610 19.000 -1.117 0.000 0.819 135 A HN 0.372 nan 8.150 nan 0.000 0.442 136 R N -0.894 119.518 120.500 -0.145 0.000 2.091 136 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 136 R C 1.747 177.997 176.300 -0.083 0.000 1.136 136 R CA 2.146 58.178 56.100 -0.114 0.000 0.959 136 R CB -0.892 29.260 30.300 -0.246 0.000 0.856 136 R HN 0.480 nan 8.270 nan 0.000 0.437 137 F N -0.263 119.594 119.950 -0.154 0.000 2.060 137 F HA -0.128 4.398 4.527 -0.001 0.000 0.295 137 F C 1.991 177.724 175.800 -0.112 0.000 1.120 137 F CA 1.707 59.687 58.000 -0.033 0.000 1.205 137 F CB -0.967 37.940 39.000 -0.154 0.000 0.986 137 F HN 0.123 nan 8.300 nan 0.000 0.470 138 Y N 0.412 120.486 120.300 -0.378 0.000 2.165 138 Y HA -0.302 4.248 4.550 -0.001 0.000 0.286 138 Y C 2.726 178.432 175.900 -0.325 0.000 1.155 138 Y CA 2.366 60.235 58.100 -0.384 0.000 1.164 138 Y CB -0.693 37.691 38.460 -0.126 0.000 0.978 138 Y HN 0.171 nan 8.280 nan 0.000 0.513 139 H N -0.972 118.114 119.070 0.027 0.000 2.524 139 H HA -0.072 4.483 4.556 -0.001 0.000 0.282 139 H C 1.079 176.314 175.328 -0.154 0.000 1.016 139 H CA 1.394 57.415 56.048 -0.046 0.000 1.270 139 H CB -0.040 29.740 29.762 0.031 0.000 1.394 139 H HN 0.450 nan 8.280 nan 0.000 0.568 140 D N 0.116 120.445 120.400 -0.119 0.000 2.348 140 D HA 0.060 4.699 4.640 -0.001 0.000 0.211 140 D C 0.679 176.809 176.300 -0.283 0.000 0.998 140 D CA 0.077 53.985 54.000 -0.154 0.000 0.873 140 D CB 0.289 41.029 40.800 -0.100 0.000 0.925 140 D HN 0.191 nan 8.370 nan 0.000 0.524 141 L N 0.553 121.504 121.223 -0.454 0.000 2.439 141 L HA 0.299 4.639 4.340 -0.001 0.000 0.269 141 L C 1.379 178.059 176.870 -0.317 0.000 1.179 141 L CA -0.504 54.057 54.840 -0.465 0.000 0.828 141 L CB 0.829 42.524 42.059 -0.606 0.000 1.106 141 L HN -0.021 nan 8.230 nan 0.000 0.467 142 G N 0.701 109.362 108.800 -0.231 0.000 2.599 142 G HA2 0.076 4.035 3.960 -0.001 0.000 0.264 142 G HA3 0.076 4.035 3.960 -0.001 0.000 0.264 142 G C 0.618 175.416 174.900 -0.169 0.000 1.200 142 G CA -0.306 44.697 45.100 -0.161 0.000 0.896 142 G HN 0.773 nan 8.290 nan 0.000 0.536 143 E N -0.096 120.035 120.200 -0.115 0.000 2.118 143 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 143 E C 2.141 178.697 176.600 -0.073 0.000 0.992 143 E CA 1.647 57.993 56.400 -0.089 0.000 0.804 143 E CB -0.099 29.576 29.700 -0.043 0.000 0.741 143 E HN 0.587 nan 8.360 nan 0.000 0.458 144 N N -0.065 118.593 118.700 -0.070 0.000 2.142 144 N HA -0.167 4.573 4.740 -0.001 0.000 0.186 144 N C 1.390 176.857 175.510 -0.072 0.000 1.023 144 N CA 1.108 54.123 53.050 -0.058 0.000 0.852 144 N CB 0.052 38.505 38.487 -0.057 0.000 0.998 144 N HN 0.017 nan 8.380 nan 0.000 0.424 145 K N 1.274 121.613 120.400 -0.103 0.000 2.103 145 K HA -0.011 4.308 4.320 -0.001 0.000 0.204 145 K C 1.977 178.530 176.600 -0.077 0.000 1.052 145 K CA 0.637 56.862 56.287 -0.103 0.000 0.945 145 K CB -0.146 32.271 32.500 -0.138 0.000 0.722 145 K HN 0.312 nan 8.250 nan 0.000 0.443 146 K N 0.766 121.075 120.400 -0.152 0.000 2.097 146 K HA -0.045 4.274 4.320 -0.001 0.000 0.206 146 K C 2.234 178.901 176.600 0.111 0.000 1.049 146 K CA 0.928 57.132 56.287 -0.137 0.000 0.933 146 K CB -0.130 32.160 32.500 -0.350 0.000 0.717 146 K HN 0.051 nan 8.250 nan 0.000 0.442 147 L N 0.903 122.157 121.223 0.052 0.000 2.056 147 L HA -0.194 4.145 4.340 -0.001 0.000 0.207 147 L C 2.462 179.386 176.870 0.090 0.000 1.078 147 L CA 1.247 56.137 54.840 0.084 0.000 0.749 147 L CB -0.383 41.702 42.059 0.043 0.000 0.901 147 L HN 0.231 nan 8.230 nan 0.000 0.433 148 Q N -0.797 119.030 119.800 0.045 0.000 2.170 148 Q HA -0.255 4.084 4.340 -0.001 0.000 0.203 148 Q C 2.161 178.234 176.000 0.121 0.000 0.976 148 Q CA 1.604 57.433 55.803 0.043 0.000 0.858 148 Q CB -0.183 28.506 28.738 -0.083 0.000 0.907 148 Q HN 0.364 nan 8.270 nan 0.000 0.433 149 M N 1.029 120.736 119.600 0.178 0.000 2.156 149 M HA -0.114 4.365 4.480 -0.001 0.000 0.264 149 M C 1.545 178.026 176.300 0.303 0.000 1.067 149 M CA 1.720 57.196 55.300 0.292 0.000 1.131 149 M CB 0.109 32.982 32.600 0.455 0.000 1.368 149 M HN -0.123 nan 8.290 nan 0.000 0.416 150 K N -1.013 119.564 120.400 0.295 0.000 2.147 150 K HA -0.109 4.211 4.320 -0.001 0.000 0.205 150 K C 2.242 178.941 176.600 0.165 0.000 1.049 150 K CA 1.481 57.911 56.287 0.240 0.000 0.936 150 K CB -0.349 32.276 32.500 0.208 0.000 0.722 150 K HN 0.417 nan 8.250 nan 0.000 0.446 151 S N 1.556 117.342 115.700 0.144 0.000 2.387 151 S HA -0.074 4.396 4.470 -0.001 0.000 0.226 151 S C 1.925 176.584 174.600 0.100 0.000 1.026 151 S CA 0.876 59.142 58.200 0.110 0.000 0.972 151 S CB -0.210 63.054 63.200 0.108 0.000 0.814 151 S HN 0.390 nan 8.310 nan 0.000 0.477 152 I N -1.052 119.587 120.570 0.114 0.000 2.928 152 I HA 0.085 4.255 4.170 -0.001 0.000 0.266 152 I C 1.816 177.967 176.117 0.057 0.000 1.234 152 I CA 0.583 61.932 61.300 0.081 0.000 1.483 152 I CB -0.309 37.739 38.000 0.080 0.000 1.097 152 I HN 0.096 nan 8.210 nan 0.000 0.455 153 V N 1.574 121.540 119.914 0.087 0.000 2.446 153 V HA -0.164 3.955 4.120 -0.001 0.000 0.244 153 V C 2.691 178.819 176.094 0.056 0.000 1.039 153 V CA 1.831 64.167 62.300 0.059 0.000 1.045 153 V CB -0.584 31.337 31.823 0.164 0.000 0.681 153 V HN 0.427 nan 8.190 nan 0.000 0.459 154 K N 0.861 121.305 120.400 0.073 0.000 2.063 154 K HA -0.217 4.103 4.320 -0.001 0.000 0.208 154 K C 1.558 178.177 176.600 0.032 0.000 1.048 154 K CA 2.224 58.543 56.287 0.052 0.000 0.928 154 K CB -0.204 32.329 32.500 0.055 0.000 0.713 154 K HN 0.583 nan 8.250 nan 0.000 0.442 155 N N -0.751 117.968 118.700 0.032 0.000 2.521 155 N HA 0.053 4.792 4.740 -0.001 0.000 0.188 155 N C 0.653 176.167 175.510 0.008 0.000 1.146 155 N CA 0.660 53.721 53.050 0.019 0.000 0.893 155 N CB 0.685 39.186 38.487 0.023 0.000 0.975 155 N HN 0.430 nan 8.380 nan 0.000 0.451 156 G N 0.406 109.206 108.800 0.000 0.000 2.159 156 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.256 156 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.256 156 G C 0.828 175.714 174.900 -0.023 0.000 0.977 156 G CA 0.273 45.362 45.100 -0.019 0.000 0.652 156 G HN 0.387 nan 8.290 nan 0.000 0.531 157 Q N -1.043 118.750 119.800 -0.010 0.000 2.163 157 Q HA 0.276 4.615 4.340 -0.001 0.000 0.198 157 Q C 1.402 177.394 176.000 -0.014 0.000 0.954 157 Q CA 0.770 56.572 55.803 -0.001 0.000 0.851 157 Q CB 0.396 29.139 28.738 0.008 0.000 0.928 157 Q HN 0.605 nan 8.270 nan 0.000 0.459 158 L N 1.454 122.646 121.223 -0.051 0.000 2.287 158 L HA 0.377 4.717 4.340 -0.001 0.000 0.287 158 L C -1.089 175.594 176.870 -0.311 0.000 1.022 158 L CA -0.327 54.437 54.840 -0.126 0.000 0.814 158 L CB 1.411 43.405 42.059 -0.109 0.000 1.217 158 L HN -0.013 nan 8.230 nan 0.000 0.420 159 E N 4.405 124.388 120.200 -0.363 0.000 2.210 159 E HA 0.356 4.705 4.350 -0.001 0.000 0.266 159 E C -1.587 174.738 176.600 -0.458 0.000 0.883 159 E CA -0.772 55.416 56.400 -0.355 0.000 0.761 159 E CB 1.487 31.068 29.700 -0.199 0.000 1.156 159 E HN 0.470 nan 8.360 nan 0.000 0.412 160 F N 3.021 122.920 119.950 -0.085 0.000 2.412 160 F HA 0.226 4.752 4.527 -0.001 0.000 0.348 160 F C 0.280 176.045 175.800 -0.058 0.000 1.102 160 F CA -0.500 57.462 58.000 -0.063 0.000 1.196 160 F CB 1.285 40.259 39.000 -0.044 0.000 1.144 160 F HN 0.188 nan 8.300 nan 0.000 0.541 161 V N 0.002 119.978 119.914 0.104 0.000 2.495 161 V HA 0.657 4.777 4.120 -0.001 0.000 0.298 161 V C 0.255 176.475 176.094 0.210 0.000 1.031 161 V CA -0.543 61.809 62.300 0.087 0.000 0.871 161 V CB 0.895 32.651 31.823 -0.110 0.000 0.988 161 V HN 0.980 nan 8.190 nan 0.000 0.432 162 T N 3.203 117.960 114.554 0.340 0.000 13.132 162 T HA -0.304 4.046 4.350 -0.001 0.000 0.419 162 T C 1.709 176.636 174.700 0.379 0.000 1.442 162 T CA 2.956 65.302 62.100 0.410 0.000 2.366 162 T CB -1.686 67.320 68.868 0.230 0.000 2.813 162 T HN 2.784 nan 8.240 nan 0.000 0.650 163 G N 1.692 110.653 108.800 0.268 0.000 2.141 163 G HA2 0.128 4.087 3.960 -0.001 0.000 0.242 163 G HA3 0.128 4.087 3.960 -0.001 0.000 0.242 163 G C 0.284 175.324 174.900 0.233 0.000 0.982 163 G CA 0.566 45.801 45.100 0.225 0.000 0.662 163 G HN 1.546 nan 8.290 nan 0.000 0.527 164 G N -1.609 107.327 108.800 0.227 0.000 2.537 164 G HA2 0.390 4.350 3.960 -0.001 0.000 0.273 164 G HA3 0.390 4.350 3.960 -0.001 0.000 0.273 164 G C 0.952 176.033 174.900 0.302 0.000 1.189 164 G CA 0.145 45.391 45.100 0.243 0.000 0.881 164 G HN 0.335 nan 8.290 nan 0.000 0.535 165 W N 0.388 121.731 121.300 0.072 0.000 2.342 165 W HA -0.048 4.612 4.660 -0.001 0.000 0.297 165 W C 0.703 177.253 176.519 0.051 0.000 1.213 165 W CA 1.870 59.243 57.345 0.047 0.000 1.251 165 W CB 0.262 29.733 29.460 0.017 0.000 1.136 165 W HN 0.406 nan 8.180 nan 0.000 0.526 166 V N -2.689 117.354 119.914 0.215 0.000 3.105 166 V HA 0.509 4.629 4.120 -0.001 0.000 0.311 166 V C -0.479 175.706 176.094 0.151 0.000 1.287 166 V CA -1.284 61.086 62.300 0.116 0.000 1.066 166 V CB 1.723 33.632 31.823 0.144 0.000 1.105 166 V HN -0.055 nan 8.190 nan 0.000 0.462 167 M N 3.986 123.705 119.600 0.198 0.000 2.103 167 M HA 0.532 5.012 4.480 -0.001 0.000 0.350 167 M C -2.705 173.753 176.300 0.263 0.000 1.100 167 M CA -1.900 53.521 55.300 0.202 0.000 1.042 167 M CB 1.539 34.275 32.600 0.226 0.000 1.368 167 M HN 0.674 nan 8.290 nan 0.000 0.404 168 P HA 0.121 nan 4.420 nan 0.000 0.274 168 P C -0.955 176.354 177.300 0.015 0.000 1.246 168 P CA -0.163 62.989 63.100 0.088 0.000 0.795 168 P CB 0.575 32.311 31.700 0.060 0.000 1.006 169 D N 0.200 120.569 120.400 -0.052 0.000 2.400 169 D HA -0.049 4.590 4.640 -0.001 0.000 0.238 169 D C 0.627 176.937 176.300 0.016 0.000 1.157 169 D CA 0.556 54.505 54.000 -0.085 0.000 0.889 169 D CB 0.402 41.160 40.800 -0.068 0.000 1.199 169 D HN 0.308 nan 8.370 nan 0.000 0.436 170 E N 1.155 121.414 120.200 0.098 0.000 2.562 170 E HA 0.206 4.555 4.350 -0.001 0.000 0.214 170 E C 0.818 177.595 176.600 0.294 0.000 0.979 170 E CA -0.026 56.497 56.400 0.205 0.000 1.002 170 E CB 0.739 30.580 29.700 0.234 0.000 1.048 170 E HN 0.472 nan 8.360 nan 0.000 0.488 171 A N 1.438 124.376 122.820 0.197 0.000 1.887 171 A HA 0.014 4.334 4.320 -0.001 0.000 0.210 171 A C 1.823 179.290 177.584 -0.196 0.000 1.221 171 A CA 0.612 52.536 52.037 -0.189 0.000 0.635 171 A CB 0.005 18.856 19.000 -0.248 0.000 0.881 171 A HN 0.035 nan 8.150 nan 0.000 0.456 172 N N 0.721 119.396 118.700 -0.043 0.000 2.392 172 N HA 0.005 4.744 4.740 -0.001 0.000 0.177 172 N C 0.481 175.975 175.510 -0.027 0.000 1.066 172 N CA 0.767 53.787 53.050 -0.051 0.000 0.895 172 N CB 0.019 38.522 38.487 0.026 0.000 0.988 172 N HN 0.512 nan 8.380 nan 0.000 0.457 173 S N 0.659 116.354 115.700 -0.009 0.000 2.564 173 S HA 0.043 4.512 4.470 -0.001 0.000 0.278 173 S C 0.021 174.627 174.600 0.010 0.000 1.333 173 S CA -0.576 57.629 58.200 0.008 0.000 1.048 173 S CB 1.214 64.422 63.200 0.013 0.000 0.900 173 S HN 0.205 nan 8.310 nan 0.000 0.505 174 H N 3.088 122.135 119.070 -0.038 0.000 2.582 174 H HA 0.057 4.612 4.556 -0.001 0.000 0.345 174 H C 1.203 176.497 175.328 -0.057 0.000 1.104 174 H CA -0.300 55.711 56.048 -0.062 0.000 1.390 174 H CB 0.560 30.238 29.762 -0.142 0.000 1.461 174 H HN 1.024 nan 8.280 nan 0.000 0.551 175 W N 5.592 126.803 121.300 -0.148 0.000 2.350 175 W HA -0.147 4.512 4.660 -0.001 0.000 0.289 175 W C 1.109 177.703 176.519 0.125 0.000 1.215 175 W CA 0.314 57.648 57.345 -0.017 0.000 1.236 175 W CB -0.477 28.924 29.460 -0.098 0.000 1.130 175 W HN 0.529 nan 8.180 nan 0.000 0.541 176 R N 0.795 120.903 120.500 -0.653 0.000 2.096 176 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 176 R C 2.017 178.148 176.300 -0.281 0.000 1.127 176 R CA 1.864 57.476 56.100 -0.813 0.000 0.968 176 R CB -0.417 29.361 30.300 -0.870 0.000 0.861 176 R HN 0.126 nan 8.270 nan 0.000 0.440 177 N N -0.148 118.472 118.700 -0.133 0.000 2.354 177 N HA -0.063 4.676 4.740 -0.001 0.000 0.179 177 N C 1.712 177.221 175.510 -0.001 0.000 1.021 177 N CA 0.716 53.731 53.050 -0.058 0.000 0.887 177 N CB 0.002 38.476 38.487 -0.022 0.000 0.974 177 N HN 0.004 nan 8.380 nan 0.000 0.437 178 V N 1.330 121.266 119.914 0.037 0.000 2.358 178 V HA -0.158 3.961 4.120 -0.001 0.000 0.246 178 V C 2.314 178.451 176.094 0.072 0.000 1.047 178 V CA 1.016 63.358 62.300 0.070 0.000 1.035 178 V CB -0.476 31.411 31.823 0.105 0.000 0.658 178 V HN 0.191 nan 8.190 nan 0.000 0.452 179 L N -0.207 121.069 121.223 0.089 0.000 2.083 179 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 179 L C 2.160 179.040 176.870 0.016 0.000 1.083 179 L CA 1.813 56.699 54.840 0.077 0.000 0.752 179 L CB -0.635 41.506 42.059 0.138 0.000 0.899 179 L HN 0.298 nan 8.230 nan 0.000 0.433 180 L N -0.097 121.113 121.223 -0.022 0.000 2.046 180 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 180 L C 2.518 179.374 176.870 -0.023 0.000 1.077 180 L CA 2.230 57.046 54.840 -0.041 0.000 0.747 180 L CB -0.738 41.277 42.059 -0.073 0.000 0.896 180 L HN 0.666 nan 8.230 nan 0.000 0.432 181 Q N -0.945 118.864 119.800 0.014 0.000 2.172 181 Q HA -0.171 4.168 4.340 -0.001 0.000 0.200 181 Q C 2.024 178.101 176.000 0.129 0.000 0.964 181 Q CA 1.938 57.781 55.803 0.068 0.000 0.855 181 Q CB -1.153 27.665 28.738 0.132 0.000 0.918 181 Q HN 0.469 nan 8.270 nan 0.000 0.444 182 L N 0.855 122.141 121.223 0.105 0.000 2.046 182 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 182 L C 1.891 178.839 176.870 0.130 0.000 1.077 182 L CA 2.429 57.346 54.840 0.128 0.000 0.747 182 L CB -0.970 41.142 42.059 0.088 0.000 0.896 182 L HN 0.322 nan 8.230 nan 0.000 0.432 183 T N -0.989 113.610 114.554 0.074 0.000 2.777 183 T HA -0.177 4.172 4.350 -0.001 0.000 0.266 183 T C 1.724 176.472 174.700 0.079 0.000 1.040 183 T CA 1.411 63.547 62.100 0.061 0.000 1.141 183 T CB -0.192 68.682 68.868 0.011 0.000 0.868 183 T HN 0.330 nan 8.240 nan 0.000 0.444 184 E N 1.069 121.284 120.200 0.026 0.000 2.051 184 E HA -0.053 4.296 4.350 -0.001 0.000 0.192 184 E C 2.343 179.049 176.600 0.177 0.000 0.991 184 E CA 1.586 57.952 56.400 -0.057 0.000 0.799 184 E CB -0.876 28.596 29.700 -0.379 0.000 0.748 184 E HN 0.453 nan 8.360 nan 0.000 0.449 185 G N -0.187 108.819 108.800 0.343 0.000 2.394 185 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.215 185 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.215 185 G C 1.465 176.581 174.900 0.360 0.000 1.165 185 G CA 0.609 46.011 45.100 0.503 0.000 0.784 185 G HN 0.265 nan 8.290 nan 0.000 0.535 186 Q N -0.137 119.811 119.800 0.247 0.000 2.230 186 Q HA -0.051 4.288 4.340 -0.001 0.000 0.202 186 Q C 2.724 178.819 176.000 0.160 0.000 0.963 186 Q CA 1.365 57.276 55.803 0.179 0.000 0.866 186 Q CB -0.161 28.664 28.738 0.144 0.000 0.931 186 Q HN 0.399 nan 8.270 nan 0.000 0.452 187 T N 0.080 114.741 114.554 0.177 0.000 2.821 187 T HA -0.166 4.184 4.350 -0.001 0.000 0.267 187 T C 1.069 175.873 174.700 0.173 0.000 1.046 187 T CA 0.927 63.108 62.100 0.135 0.000 1.139 187 T CB -0.302 68.641 68.868 0.126 0.000 0.871 187 T HN 0.472 nan 8.240 nan 0.000 0.454 188 W N 1.659 123.057 121.300 0.164 0.000 2.355 188 W HA -0.022 4.637 4.660 -0.001 0.000 0.309 188 W C 1.759 178.397 176.519 0.198 0.000 1.206 188 W CA 0.874 58.401 57.345 0.303 0.000 1.284 188 W CB -0.464 29.240 29.460 0.406 0.000 1.145 188 W HN 0.125 nan 8.180 nan 0.000 0.502 189 L N 0.732 122.177 121.223 0.371 0.000 2.042 189 L HA -0.267 4.072 4.340 -0.001 0.000 0.210 189 L C 2.629 179.426 176.870 -0.122 0.000 1.076 189 L CA 1.924 56.791 54.840 0.046 0.000 0.749 189 L CB -0.960 41.059 42.059 -0.066 0.000 0.893 189 L HN 0.008 nan 8.230 nan 0.000 0.432 190 K N -0.052 120.301 120.400 -0.077 0.000 2.057 190 K HA -0.251 4.068 4.320 -0.001 0.000 0.206 190 K C 2.194 178.657 176.600 -0.228 0.000 1.050 190 K CA 1.513 57.729 56.287 -0.117 0.000 0.935 190 K CB -0.009 32.448 32.500 -0.072 0.000 0.715 190 K HN 0.272 nan 8.250 nan 0.000 0.439 191 Q N -0.787 118.809 119.800 -0.340 0.000 2.046 191 Q HA -0.141 4.199 4.340 -0.001 0.000 0.200 191 Q C 1.440 176.937 176.000 -0.839 0.000 0.975 191 Q CA 1.685 57.125 55.803 -0.604 0.000 0.836 191 Q CB 0.056 28.313 28.738 -0.803 0.000 0.896 191 Q HN 0.298 nan 8.270 nan 0.000 0.428 192 F N -1.419 118.154 119.950 -0.629 0.000 2.582 192 F HA 0.124 4.650 4.527 -0.001 0.000 0.290 192 F C 1.625 177.122 175.800 -0.506 0.000 1.115 192 F CA 0.239 57.819 58.000 -0.701 0.000 1.445 192 F CB 0.428 38.578 39.000 -1.416 0.000 1.126 192 F HN 0.097 nan 8.300 nan 0.000 0.574 193 M N -0.888 118.548 119.600 -0.274 0.000 2.308 193 M HA 0.220 4.700 4.480 -0.001 0.000 0.269 193 M C 0.344 176.619 176.300 -0.041 0.000 1.040 193 M CA 0.178 55.427 55.300 -0.086 0.000 1.024 193 M CB -1.069 31.507 32.600 -0.039 0.000 1.465 193 M HN 0.103 nan 8.290 nan 0.000 0.517 194 N N 2.023 120.662 118.700 -0.101 0.000 2.727 194 N HA -0.137 4.603 4.740 -0.001 0.000 0.249 194 N C -1.022 174.468 175.510 -0.034 0.000 1.048 194 N CA 0.737 53.745 53.050 -0.071 0.000 0.714 194 N CB -0.972 37.487 38.487 -0.046 0.000 0.959 194 N HN 0.362 nan 8.380 nan 0.000 0.544 195 V N -3.864 116.032 119.914 -0.031 0.000 2.971 195 V HA 0.853 4.973 4.120 -0.001 0.000 0.309 195 V C 0.040 176.120 176.094 -0.023 0.000 1.130 195 V CA -0.532 61.767 62.300 -0.002 0.000 0.964 195 V CB 2.283 34.154 31.823 0.079 0.000 1.029 195 V HN 0.054 nan 8.190 nan 0.000 0.427 196 T N 3.998 118.528 114.554 -0.040 0.000 2.930 196 T HA 0.566 4.915 4.350 -0.001 0.000 0.313 196 T C -2.715 171.902 174.700 -0.139 0.000 1.019 196 T CA -0.804 61.252 62.100 -0.073 0.000 1.004 196 T CB 1.397 70.211 68.868 -0.090 0.000 0.987 196 T HN 0.739 nan 8.240 nan 0.000 0.456 197 P HA 0.152 nan 4.420 nan 0.000 0.266 197 P C 0.825 177.739 177.300 -0.643 0.000 1.195 197 P CA -0.082 62.902 63.100 -0.193 0.000 0.768 197 P CB 0.539 32.239 31.700 0.001 0.000 0.838 198 T N -1.534 112.696 114.554 -0.542 0.000 3.043 198 T HA 0.546 4.895 4.350 -0.001 0.000 0.272 198 T C 0.320 174.817 174.700 -0.339 0.000 0.990 198 T CA -0.294 61.347 62.100 -0.765 0.000 0.897 198 T CB 0.178 68.819 68.868 -0.379 0.000 1.111 198 T HN 0.400 nan 8.240 nan 0.000 0.529 199 A N 0.838 123.628 122.820 -0.050 0.000 2.355 199 A HA 0.816 5.136 4.320 -0.001 0.000 0.317 199 A C -0.206 177.650 177.584 0.452 0.000 1.094 199 A CA -0.711 51.455 52.037 0.216 0.000 0.764 199 A CB 1.870 21.015 19.000 0.242 0.000 1.230 199 A HN 0.257 nan 8.150 nan 0.000 0.448 200 S N 1.865 117.819 115.700 0.423 0.000 2.537 200 S HA 0.690 5.160 4.470 -0.001 0.000 0.301 200 S C -1.203 173.587 174.600 0.317 0.000 1.092 200 S CA -0.437 57.950 58.200 0.313 0.000 1.048 200 S CB 0.822 64.032 63.200 0.016 0.000 1.053 200 S HN 0.826 nan 8.310 nan 0.000 0.501 201 W N 4.602 125.914 121.300 0.019 0.000 2.543 201 W HA 0.630 5.290 4.660 -0.001 0.000 0.318 201 W C -1.481 174.980 176.519 -0.097 0.000 1.002 201 W CA -0.837 56.472 57.345 -0.061 0.000 1.302 201 W CB 1.123 30.518 29.460 -0.109 0.000 1.299 201 W HN 0.788 nan 8.180 nan 0.000 0.424 202 A N 7.837 130.518 122.820 -0.231 0.000 2.842 202 A HA 0.280 4.599 4.320 -0.001 0.000 0.339 202 A C 0.342 177.670 177.584 -0.428 0.000 1.177 202 A CA -0.492 51.408 52.037 -0.228 0.000 0.797 202 A CB -0.407 18.577 19.000 -0.027 0.000 1.094 202 A HN 0.705 nan 8.150 nan 0.000 0.474 203 I N -2.726 117.388 120.570 -0.760 0.000 3.578 203 I HA 0.255 4.424 4.170 -0.001 0.000 0.295 203 I C 0.756 176.532 176.117 -0.567 0.000 1.280 203 I CA 0.885 61.700 61.300 -0.808 0.000 1.347 203 I CB 0.348 37.569 38.000 -1.297 0.000 1.051 203 I HN 0.325 nan 8.210 nan 0.000 0.460 204 D N 0.207 120.242 120.400 -0.608 0.000 2.480 204 D HA 0.246 4.886 4.640 -0.001 0.000 0.243 204 D C -2.190 173.698 176.300 -0.687 0.000 1.120 204 D CA -0.712 52.932 54.000 -0.594 0.000 0.835 204 D CB 0.164 40.502 40.800 -0.770 0.000 1.204 204 D HN 0.158 nan 8.370 nan 0.000 0.513 205 P HA 0.025 nan 4.420 nan 0.000 0.267 205 P C -0.495 176.384 177.300 -0.701 0.000 1.200 205 P CA 0.128 62.735 63.100 -0.822 0.000 0.772 205 P CB 0.181 31.551 31.700 -0.550 0.000 0.855 206 F N 2.308 122.045 119.950 -0.356 0.000 2.605 206 F HA 0.526 5.053 4.527 -0.001 0.000 0.352 206 F C 1.418 177.180 175.800 -0.063 0.000 1.236 206 F CA -0.577 57.173 58.000 -0.417 0.000 1.267 206 F CB -1.183 37.725 39.000 -0.152 0.000 1.632 206 F HN 0.469 nan 8.300 nan 0.000 0.639 207 G N 1.237 109.826 108.800 -0.352 0.000 2.617 207 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.686 207 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.686 207 G C -1.538 173.017 174.900 -0.574 0.000 1.214 207 G CA -1.183 43.827 45.100 -0.150 0.000 0.796 207 G HN 0.566 nan 8.290 nan 0.000 0.654 208 H N -0.359 118.433 119.070 -0.463 0.000 2.637 208 H HA 0.768 5.324 4.556 -0.001 0.000 0.363 208 H C -0.294 174.921 175.328 -0.189 0.000 1.131 208 H CA 0.032 55.982 56.048 -0.163 0.000 1.183 208 H CB 2.076 31.899 29.762 0.101 0.000 1.637 208 H HN 0.668 nan 8.280 nan 0.000 0.531 209 S N 2.388 118.223 115.700 0.226 0.000 2.501 209 S HA 0.266 4.736 4.470 -0.001 0.000 0.301 209 S C -1.798 172.816 174.600 0.023 0.000 1.096 209 S CA -1.793 56.542 58.200 0.225 0.000 1.063 209 S CB 1.359 64.749 63.200 0.315 0.000 1.042 209 S HN 0.444 nan 8.310 nan 0.000 0.494 210 P HA 0.024 nan 4.420 nan 0.000 0.237 210 P C 1.076 178.097 177.300 -0.465 0.000 1.178 210 P CA 0.713 63.361 63.100 -0.753 0.000 0.766 210 P CB -0.268 31.165 31.700 -0.444 0.000 0.876 211 T N -0.223 114.211 114.554 -0.200 0.000 2.849 211 T HA -0.092 4.257 4.350 -0.001 0.000 0.270 211 T C 1.799 176.456 174.700 -0.071 0.000 1.066 211 T CA 1.158 63.192 62.100 -0.110 0.000 1.130 211 T CB -0.379 68.471 68.868 -0.030 0.000 0.864 211 T HN -0.004 nan 8.240 nan 0.000 0.481 212 M N 0.910 120.420 119.600 -0.151 0.000 2.064 212 M HA 0.020 4.499 4.480 -0.001 0.000 0.260 212 M C -0.581 175.585 176.300 -0.223 0.000 1.073 212 M CA 1.089 56.304 55.300 -0.141 0.000 1.124 212 M CB -2.425 30.120 32.600 -0.091 0.000 1.326 212 M HN 0.123 nan 8.290 nan 0.000 0.410 213 P HA -0.212 nan 4.420 nan 0.000 0.218 213 P C 1.656 178.836 177.300 -0.199 0.000 1.148 213 P CA 1.484 64.396 63.100 -0.312 0.000 0.822 213 P CB -0.411 31.001 31.700 -0.480 0.000 0.784 214 Y N 1.275 121.388 120.300 -0.312 0.000 2.053 214 Y HA -0.216 4.333 4.550 -0.001 0.000 0.277 214 Y C 2.457 178.277 175.900 -0.132 0.000 1.159 214 Y CA 1.751 59.734 58.100 -0.196 0.000 1.125 214 Y CB -1.043 37.319 38.460 -0.164 0.000 0.969 214 Y HN -0.235 nan 8.280 nan 0.000 0.492 215 I N -0.450 120.128 120.570 0.013 0.000 2.252 215 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 215 I C 2.275 178.310 176.117 -0.137 0.000 1.102 215 I CA 1.139 62.405 61.300 -0.057 0.000 1.385 215 I CB -0.420 37.628 38.000 0.079 0.000 1.064 215 I HN 0.272 nan 8.210 nan 0.000 0.414 216 L N 0.125 121.223 121.223 -0.208 0.000 2.046 216 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 216 L C 2.688 179.542 176.870 -0.027 0.000 1.077 216 L CA 1.194 55.849 54.840 -0.308 0.000 0.747 216 L CB -0.717 40.963 42.059 -0.631 0.000 0.896 216 L HN 0.332 nan 8.230 nan 0.000 0.432 217 Q N 1.146 120.896 119.800 -0.084 0.000 2.224 217 Q HA -0.181 4.159 4.340 -0.001 0.000 0.203 217 Q C 1.598 177.557 176.000 -0.068 0.000 0.970 217 Q CA 1.426 57.204 55.803 -0.042 0.000 0.865 217 Q CB 0.140 28.826 28.738 -0.088 0.000 0.922 217 Q HN 0.468 nan 8.270 nan 0.000 0.445 218 K N -0.479 119.834 120.400 -0.144 0.000 2.458 218 K HA 0.125 4.445 4.320 -0.001 0.000 0.194 218 K C 0.555 177.112 176.600 -0.071 0.000 1.024 218 K CA 0.067 56.261 56.287 -0.155 0.000 1.108 218 K CB 0.545 32.871 32.500 -0.289 0.000 0.846 218 K HN -0.084 nan 8.250 nan 0.000 0.518 219 S N -0.171 115.546 115.700 0.028 0.000 2.741 219 S HA 0.202 4.672 4.470 -0.001 0.000 0.247 219 S C 0.750 175.450 174.600 0.167 0.000 1.050 219 S CA 0.097 58.362 58.200 0.108 0.000 1.025 219 S CB 1.283 64.595 63.200 0.186 0.000 0.897 219 S HN 0.531 nan 8.310 nan 0.000 0.508 220 G N 1.215 110.061 108.800 0.077 0.000 2.179 220 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.260 220 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.260 220 G C 0.007 174.876 174.900 -0.053 0.000 0.977 220 G CA -0.299 44.791 45.100 -0.016 0.000 0.641 220 G HN 0.450 nan 8.290 nan 0.000 0.533 221 F N 0.272 120.180 119.950 -0.071 0.000 2.450 221 F HA 0.575 5.101 4.527 -0.001 0.000 0.339 221 F C 1.579 177.318 175.800 -0.102 0.000 1.146 221 F CA 0.095 58.049 58.000 -0.077 0.000 1.267 221 F CB 0.884 39.843 39.000 -0.070 0.000 1.178 221 F HN -0.187 nan 8.300 nan 0.000 0.585 222 K N 0.771 121.183 120.400 0.021 0.000 2.464 222 K HA 0.249 4.568 4.320 -0.001 0.000 0.206 222 K C -0.601 175.930 176.600 -0.115 0.000 1.186 222 K CA 0.060 56.299 56.287 -0.080 0.000 0.990 222 K CB 0.203 32.605 32.500 -0.163 0.000 1.003 222 K HN 0.604 nan 8.250 nan 0.000 0.562 223 N N 0.295 118.913 118.700 -0.137 0.000 2.591 223 N HA 0.493 5.233 4.740 -0.001 0.000 0.263 223 N C -1.129 174.229 175.510 -0.252 0.000 1.308 223 N CA -0.678 52.128 53.050 -0.407 0.000 0.837 223 N CB 2.265 39.940 38.487 -1.354 0.000 1.548 223 N HN -0.103 nan 8.380 nan 0.000 0.493 224 M N -0.257 119.203 119.600 -0.233 0.000 2.520 224 M HA 0.618 5.097 4.480 -0.001 0.000 0.283 224 M C -2.095 174.270 176.300 0.109 0.000 1.237 224 M CA -0.938 54.356 55.300 -0.010 0.000 0.885 224 M CB 2.417 35.005 32.600 -0.019 0.000 1.727 224 M HN 0.499 nan 8.290 nan 0.000 0.468 225 L N 3.808 125.114 121.223 0.139 0.000 2.386 225 L HA 0.879 5.218 4.340 -0.001 0.000 0.271 225 L C -1.453 175.296 176.870 -0.202 0.000 0.993 225 L CA -0.732 54.147 54.840 0.064 0.000 0.819 225 L CB 1.974 44.118 42.059 0.142 0.000 1.294 225 L HN 0.936 nan 8.230 nan 0.000 0.414 226 I N 0.958 121.312 120.570 -0.360 0.000 3.042 226 I HA 0.607 4.776 4.170 -0.001 0.000 0.310 226 I C -0.712 175.084 176.117 -0.535 0.000 1.117 226 I CA -0.590 60.297 61.300 -0.688 0.000 1.003 226 I CB 2.257 39.581 38.000 -1.127 0.000 1.228 226 I HN 0.743 nan 8.210 nan 0.000 0.443 227 Q N 2.271 121.825 119.800 -0.410 0.000 2.563 227 Q HA 0.337 4.677 4.340 -0.001 0.000 0.236 227 Q C 0.025 175.914 176.000 -0.185 0.000 0.792 227 Q CA 0.355 56.001 55.803 -0.261 0.000 0.960 227 Q CB 0.570 29.152 28.738 -0.259 0.000 1.304 227 Q HN 0.655 nan 8.270 nan 0.000 0.566 228 R N 2.064 122.469 120.500 -0.158 0.000 2.429 228 R HA 0.325 4.665 4.340 -0.001 0.000 0.302 228 R C -0.710 175.342 176.300 -0.413 0.000 1.268 228 R CA 0.638 56.404 56.100 -0.555 0.000 1.090 228 R CB 0.182 29.783 30.300 -1.165 0.000 1.102 228 R HN 0.404 nan 8.270 nan 0.000 0.522 229 T N -2.210 112.329 114.554 -0.026 0.000 2.907 229 T HA 0.126 4.476 4.350 -0.001 0.000 0.292 229 T C -0.044 174.912 174.700 0.428 0.000 1.043 229 T CA -0.916 61.295 62.100 0.185 0.000 1.003 229 T CB 1.699 70.504 68.868 -0.104 0.000 1.084 229 T HN 0.445 nan 8.240 nan 0.000 0.483 230 H N 1.988 121.282 119.070 0.373 0.000 3.152 230 H HA -0.078 4.477 4.556 -0.001 0.000 0.319 230 H C 1.042 176.418 175.328 0.081 0.000 0.994 230 H CA 0.762 56.909 56.048 0.165 0.000 1.370 230 H CB 0.331 30.217 29.762 0.206 0.000 1.322 230 H HN 0.929 nan 8.280 nan 0.000 0.590 231 Y N 2.227 122.617 120.300 0.150 0.000 2.256 231 Y HA -0.167 4.383 4.550 -0.001 0.000 0.288 231 Y C 2.264 178.335 175.900 0.284 0.000 1.155 231 Y CA 0.902 59.134 58.100 0.221 0.000 1.203 231 Y CB -0.714 37.817 38.460 0.119 0.000 0.980 231 Y HN 0.299 nan 8.280 nan 0.000 0.530 232 S N 0.406 116.118 115.700 0.020 0.000 2.383 232 S HA -0.135 4.334 4.470 -0.001 0.000 0.227 232 S C 2.090 176.607 174.600 -0.138 0.000 1.026 232 S CA 1.284 59.398 58.200 -0.144 0.000 0.981 232 S CB -0.607 62.256 63.200 -0.562 0.000 0.818 232 S HN 0.378 nan 8.310 nan 0.000 0.472 233 V N 1.798 121.700 119.914 -0.021 0.000 2.358 233 V HA -0.152 3.968 4.120 -0.001 0.000 0.246 233 V C 2.261 178.396 176.094 0.069 0.000 1.047 233 V CA 1.541 63.861 62.300 0.033 0.000 1.035 233 V CB -0.493 31.455 31.823 0.208 0.000 0.658 233 V HN 0.399 nan 8.190 nan 0.000 0.452 234 K N 0.116 120.598 120.400 0.137 0.000 2.032 234 K HA -0.253 4.067 4.320 -0.001 0.000 0.209 234 K C 2.285 179.030 176.600 0.242 0.000 1.048 234 K CA 1.873 58.262 56.287 0.170 0.000 0.927 234 K CB -0.235 32.428 32.500 0.273 0.000 0.712 234 K HN 0.341 nan 8.250 nan 0.000 0.441 235 K N 1.103 121.647 120.400 0.241 0.000 2.002 235 K HA -0.240 4.079 4.320 -0.001 0.000 0.209 235 K C 2.143 178.848 176.600 0.174 0.000 1.048 235 K CA 1.812 58.251 56.287 0.254 0.000 0.930 235 K CB 0.004 32.573 32.500 0.116 0.000 0.714 235 K HN -0.029 nan 8.250 nan 0.000 0.438 236 E N 0.868 121.084 120.200 0.026 0.000 2.038 236 E HA -0.168 4.181 4.350 -0.001 0.000 0.195 236 E C 1.942 178.538 176.600 -0.006 0.000 1.000 236 E CA 1.576 57.949 56.400 -0.045 0.000 0.803 236 E CB -0.220 29.402 29.700 -0.129 0.000 0.750 236 E HN 0.359 nan 8.360 nan 0.000 0.448 237 L N -0.251 120.979 121.223 0.012 0.000 2.093 237 L HA -0.071 4.268 4.340 -0.001 0.000 0.208 237 L C 2.520 179.412 176.870 0.037 0.000 1.085 237 L CA 0.906 55.746 54.840 -0.000 0.000 0.755 237 L CB -0.610 41.434 42.059 -0.026 0.000 0.904 237 L HN 0.196 nan 8.230 nan 0.000 0.435 238 A N -0.062 122.833 122.820 0.126 0.000 1.908 238 A HA -0.266 4.053 4.320 -0.001 0.000 0.218 238 A C 2.232 179.999 177.584 0.304 0.000 1.181 238 A CA 1.657 53.822 52.037 0.213 0.000 0.627 238 A CB -0.516 18.763 19.000 0.466 0.000 0.818 238 A HN 0.483 nan 8.150 nan 0.000 0.445 239 Q N -0.938 119.004 119.800 0.238 0.000 2.226 239 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 239 Q C 1.221 177.215 176.000 -0.011 0.000 0.975 239 Q CA 1.216 57.005 55.803 -0.023 0.000 0.866 239 Q CB -0.029 28.537 28.738 -0.287 0.000 0.915 239 Q HN 0.626 nan 8.270 nan 0.000 0.440 240 Q N -0.167 119.637 119.800 0.006 0.000 2.247 240 Q HA 0.153 4.493 4.340 -0.001 0.000 0.204 240 Q C -0.451 175.564 176.000 0.026 0.000 0.872 240 Q CA -0.068 55.736 55.803 0.000 0.000 0.951 240 Q CB 0.698 29.426 28.738 -0.017 0.000 1.099 240 Q HN 0.276 nan 8.270 nan 0.000 0.501 241 R N 0.882 121.402 120.500 0.033 0.000 3.322 241 R HA -0.211 4.129 4.340 -0.001 0.000 0.253 241 R C -0.149 176.179 176.300 0.047 0.000 0.987 241 R CA 0.476 56.584 56.100 0.013 0.000 0.666 241 R CB -1.872 28.462 30.300 0.057 0.000 1.072 241 R HN 0.384 nan 8.270 nan 0.000 0.447 242 Q N 0.082 119.899 119.800 0.028 0.000 2.206 242 Q HA 0.205 4.545 4.340 -0.001 0.000 0.265 242 Q C 1.187 177.268 176.000 0.135 0.000 0.866 242 Q CA -0.244 55.613 55.803 0.091 0.000 1.073 242 Q CB 0.558 29.314 28.738 0.030 0.000 1.165 242 Q HN 0.440 nan 8.270 nan 0.000 0.465 243 L N -0.023 121.204 121.223 0.006 0.000 2.418 243 L HA 0.053 4.392 4.340 -0.001 0.000 0.218 243 L C 0.321 177.175 176.870 -0.026 0.000 1.125 243 L CA 0.950 55.764 54.840 -0.044 0.000 0.835 243 L CB 0.317 42.150 42.059 -0.378 0.000 0.953 243 L HN 0.198 nan 8.230 nan 0.000 0.454 244 E N 0.095 120.320 120.200 0.042 0.000 2.176 244 E HA 0.517 4.866 4.350 -0.001 0.000 0.267 244 E C -1.242 175.245 176.600 -0.188 0.000 0.893 244 E CA -0.541 55.670 56.400 -0.316 0.000 0.761 244 E CB 1.575 31.212 29.700 -0.104 0.000 1.133 244 E HN -0.004 nan 8.360 nan 0.000 0.409 245 F N -0.138 119.546 119.950 -0.445 0.000 2.686 245 F HA 0.476 5.003 4.527 -0.001 0.000 0.311 245 F C -1.512 174.170 175.800 -0.197 0.000 1.128 245 F CA -1.380 56.505 58.000 -0.192 0.000 0.946 245 F CB 0.785 39.708 39.000 -0.128 0.000 1.336 245 F HN 0.160 nan 8.300 nan 0.000 0.457 246 L N 2.611 123.983 121.223 0.248 0.000 2.282 246 L HA 0.169 4.508 4.340 -0.001 0.000 0.287 246 L C -1.053 176.044 176.870 0.379 0.000 1.075 246 L CA -0.258 54.725 54.840 0.240 0.000 0.839 246 L CB 0.461 42.670 42.059 0.251 0.000 1.219 246 L HN 0.590 nan 8.230 nan 0.000 0.434 247 W N 6.831 128.246 121.300 0.192 0.000 2.437 247 W HA 0.290 4.949 4.660 -0.001 0.000 0.312 247 W C 0.313 176.861 176.519 0.048 0.000 1.242 247 W CA -1.191 56.283 57.345 0.214 0.000 1.340 247 W CB 0.315 29.944 29.460 0.281 0.000 1.327 247 W HN 0.506 nan 8.180 nan 0.000 0.476 248 R N 3.822 124.501 120.500 0.298 0.000 2.856 248 R HA 0.537 4.876 4.340 -0.001 0.000 0.258 248 R C -0.107 176.103 176.300 -0.150 0.000 1.066 248 R CA -0.964 55.138 56.100 0.003 0.000 1.045 248 R CB 1.019 31.302 30.300 -0.028 0.000 1.178 248 R HN 0.227 nan 8.270 nan 0.000 0.499 249 Q N 1.376 120.926 119.800 -0.416 0.000 2.392 249 Q HA 0.052 4.392 4.340 -0.001 0.000 0.262 249 Q C 1.474 177.072 176.000 -0.670 0.000 1.003 249 Q CA 0.122 55.469 55.803 -0.760 0.000 0.888 249 Q CB 0.777 28.583 28.738 -1.553 0.000 1.260 249 Q HN 0.839 nan 8.270 nan 0.000 0.435 250 I N -1.907 118.377 120.570 -0.477 0.000 2.423 250 I HA -0.167 4.002 4.170 -0.001 0.000 0.254 250 I C 1.306 177.347 176.117 -0.127 0.000 1.151 250 I CA 1.350 62.528 61.300 -0.204 0.000 1.421 250 I CB -0.381 37.596 38.000 -0.039 0.000 1.079 250 I HN 0.680 nan 8.210 nan 0.000 0.431 251 W N 1.472 122.829 121.300 0.095 0.000 3.278 251 W HA 0.358 5.018 4.660 -0.001 0.000 0.308 251 W C 0.233 176.828 176.519 0.127 0.000 1.253 251 W CA -0.725 56.739 57.345 0.199 0.000 1.759 251 W CB -0.753 28.914 29.460 0.344 0.000 1.093 251 W HN -0.054 nan 8.180 nan 0.000 0.648 252 D N 1.896 122.038 120.400 -0.431 0.000 2.402 252 D HA -0.026 4.613 4.640 -0.001 0.000 0.235 252 D C 0.959 177.239 176.300 -0.033 0.000 1.226 252 D CA 0.214 54.100 54.000 -0.190 0.000 0.918 252 D CB 0.260 40.846 40.800 -0.358 0.000 1.043 252 D HN 0.141 nan 8.370 nan 0.000 0.506 253 N N 3.589 122.330 118.700 0.069 0.000 2.300 253 N HA -0.112 4.627 4.740 -0.001 0.000 0.179 253 N C 1.459 176.991 175.510 0.038 0.000 1.016 253 N CA 0.975 54.056 53.050 0.051 0.000 0.876 253 N CB 0.167 38.706 38.487 0.085 0.000 0.979 253 N HN 0.304 nan 8.380 nan 0.000 0.432 254 K N -1.161 119.268 120.400 0.048 0.000 2.186 254 K HA 0.076 4.396 4.320 -0.001 0.000 0.202 254 K C 0.614 177.233 176.600 0.030 0.000 1.052 254 K CA 0.955 57.267 56.287 0.041 0.000 0.965 254 K CB 0.067 32.596 32.500 0.049 0.000 0.746 254 K HN 0.273 nan 8.250 nan 0.000 0.457 255 G N 0.992 109.803 108.800 0.018 0.000 2.159 255 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.227 255 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.227 255 G C 0.168 175.078 174.900 0.017 0.000 0.986 255 G CA 0.381 45.490 45.100 0.015 0.000 0.651 255 G HN 0.374 nan 8.290 nan 0.000 0.523 256 D N 0.650 121.062 120.400 0.020 0.000 2.310 256 D HA -0.022 4.617 4.640 -0.001 0.000 0.212 256 D C 2.531 178.830 176.300 -0.001 0.000 0.965 256 D CA 1.687 55.697 54.000 0.016 0.000 0.879 256 D CB -0.235 40.580 40.800 0.025 0.000 0.921 256 D HN 0.675 nan 8.370 nan 0.000 0.510 257 T N -2.031 112.515 114.554 -0.015 0.000 3.129 257 T HA 0.324 4.673 4.350 -0.001 0.000 0.251 257 T C 0.992 175.665 174.700 -0.045 0.000 1.117 257 T CA -0.130 61.945 62.100 -0.042 0.000 1.034 257 T CB 0.017 68.850 68.868 -0.059 0.000 0.968 257 T HN 0.069 nan 8.240 nan 0.000 0.526 258 A N 1.463 124.279 122.820 -0.007 0.000 2.540 258 A HA 0.523 4.842 4.320 -0.001 0.000 0.239 258 A C -0.232 177.379 177.584 0.045 0.000 1.061 258 A CA -0.263 51.800 52.037 0.043 0.000 0.758 258 A CB -0.161 18.888 19.000 0.083 0.000 0.991 258 A HN 0.550 nan 8.150 nan 0.000 0.502 259 L N 2.868 124.139 121.223 0.079 0.000 2.438 259 L HA 0.563 4.902 4.340 -0.001 0.000 0.270 259 L C -0.681 176.253 176.870 0.107 0.000 0.972 259 L CA -0.572 54.308 54.840 0.066 0.000 0.831 259 L CB 1.445 43.508 42.059 0.007 0.000 1.273 259 L HN 0.662 nan 8.230 nan 0.000 0.405 260 F N 3.942 123.856 119.950 -0.060 0.000 2.578 260 F HA 0.449 4.976 4.527 -0.001 0.000 0.376 260 F C 0.007 175.690 175.800 -0.194 0.000 1.085 260 F CA 0.738 58.672 58.000 -0.110 0.000 1.260 260 F CB 0.535 39.491 39.000 -0.074 0.000 1.095 260 F HN 0.576 nan 8.300 nan 0.000 0.573 261 T N 5.279 119.292 114.554 -0.903 0.000 2.861 261 T HA 0.218 4.568 4.350 -0.001 0.000 0.287 261 T C -1.663 172.428 174.700 -1.015 0.000 1.003 261 T CA -0.474 61.169 62.100 -0.763 0.000 0.977 261 T CB 0.955 69.375 68.868 -0.747 0.000 0.996 261 T HN 0.634 nan 8.240 nan 0.000 0.448 262 H N 2.619 121.397 119.070 -0.488 0.000 2.511 262 H HA 0.643 5.198 4.556 -0.001 0.000 0.328 262 H C -0.496 174.641 175.328 -0.319 0.000 1.044 262 H CA -0.767 55.096 56.048 -0.308 0.000 1.212 262 H CB 0.830 30.628 29.762 0.059 0.000 1.428 262 H HN 0.484 nan 8.280 nan 0.000 0.483 263 M N 6.635 125.913 119.600 -0.536 0.000 2.157 263 M HA 0.314 4.793 4.480 -0.001 0.000 0.354 263 M C -0.956 175.099 176.300 -0.408 0.000 1.170 263 M CA -0.651 54.403 55.300 -0.409 0.000 1.060 263 M CB 0.807 33.216 32.600 -0.320 0.000 1.615 263 M HN 0.694 nan 8.290 nan 0.000 0.460 264 M N 6.942 126.393 119.600 -0.248 0.000 2.243 264 M HA 0.189 4.669 4.480 -0.001 0.000 0.341 264 M C -1.514 174.647 176.300 -0.231 0.000 1.130 264 M CA -1.242 53.950 55.300 -0.180 0.000 1.162 264 M CB 0.474 32.989 32.600 -0.143 0.000 1.497 264 M HN 0.483 nan 8.290 nan 0.000 0.456 265 P HA 0.044 nan 4.420 nan 0.000 0.235 265 P C -0.254 176.878 177.300 -0.281 0.000 1.177 265 P CA 1.025 63.823 63.100 -0.502 0.000 0.785 265 P CB 0.312 31.410 31.700 -1.002 0.000 0.885 266 F N -1.676 118.263 119.950 -0.019 0.000 2.450 266 F HA 0.276 4.802 4.527 -0.001 0.000 0.361 266 F C 2.124 178.010 175.800 0.144 0.000 1.092 266 F CA -1.379 56.653 58.000 0.054 0.000 1.105 266 F CB -1.100 37.872 39.000 -0.047 0.000 1.458 266 F HN -0.302 nan 8.300 nan 0.000 0.496 267 Y N -0.085 120.371 120.300 0.259 0.000 2.373 267 Y HA 0.124 4.673 4.550 -0.001 0.000 0.293 267 Y C 0.867 176.682 175.900 -0.143 0.000 1.129 267 Y CA 1.217 59.325 58.100 0.013 0.000 1.226 267 Y CB 0.081 38.458 38.460 -0.137 0.000 1.000 267 Y HN 0.356 nan 8.280 nan 0.000 0.549 268 S N -1.782 113.771 115.700 -0.245 0.000 2.607 268 S HA 0.250 4.719 4.470 -0.001 0.000 0.273 268 S C -0.436 174.073 174.600 -0.151 0.000 1.148 268 S CA -0.410 57.535 58.200 -0.426 0.000 0.833 268 S CB 0.242 63.120 63.200 -0.537 0.000 1.130 268 S HN 0.274 nan 8.310 nan 0.000 0.470 269 Y N 0.796 121.047 120.300 -0.082 0.000 2.466 269 Y HA 0.312 4.861 4.550 -0.001 0.000 0.272 269 Y C 0.483 176.465 175.900 0.136 0.000 1.169 269 Y CA -0.573 57.511 58.100 -0.026 0.000 1.285 269 Y CB -0.986 37.371 38.460 -0.171 0.000 1.078 269 Y HN 0.540 nan 8.280 nan 0.000 0.523 270 D N 0.599 120.995 120.400 -0.006 0.000 2.384 270 D HA -0.021 4.619 4.640 -0.001 0.000 0.244 270 D C 1.246 177.680 176.300 0.223 0.000 1.251 270 D CA -0.419 53.679 54.000 0.164 0.000 0.961 270 D CB 0.765 41.623 40.800 0.098 0.000 1.116 270 D HN 0.237 nan 8.370 nan 0.000 0.484 271 I N -0.365 120.313 120.570 0.181 0.000 2.226 271 I HA -0.141 4.028 4.170 -0.001 0.000 0.245 271 I C -0.757 175.406 176.117 0.078 0.000 1.100 271 I CA 0.823 62.217 61.300 0.156 0.000 1.374 271 I CB -1.113 36.967 38.000 0.134 0.000 1.057 271 I HN 0.334 nan 8.210 nan 0.000 0.413 272 P HA -0.163 nan 4.420 nan 0.000 0.220 272 P C 0.484 177.474 177.300 -0.517 0.000 1.144 272 P CA 1.609 64.526 63.100 -0.305 0.000 0.800 272 P CB -0.116 31.380 31.700 -0.340 0.000 0.772 273 H N -3.130 115.938 119.070 -0.005 0.000 2.512 273 H HA 0.231 4.787 4.556 -0.001 0.000 0.276 273 H C 0.855 176.289 175.328 0.177 0.000 1.126 273 H CA 0.505 56.562 56.048 0.015 0.000 1.060 273 H CB -0.194 29.639 29.762 0.118 0.000 1.646 273 H HN 0.093 nan 8.280 nan 0.000 0.571 274 T N -4.203 110.477 114.554 0.210 0.000 2.986 274 T HA -0.017 4.332 4.350 -0.001 0.000 0.264 274 T C 1.774 176.608 174.700 0.223 0.000 0.964 274 T CA 0.367 62.619 62.100 0.254 0.000 0.895 274 T CB -0.708 68.297 68.868 0.229 0.000 1.163 274 T HN 0.509 nan 8.240 nan 0.000 0.517 275 c N 1.463 120.166 118.600 0.171 0.000 2.533 275 c HA 0.719 5.289 4.570 -0.001 0.000 0.272 275 c C 1.349 175.574 174.090 0.224 0.000 1.371 275 c CA 0.439 56.909 56.329 0.236 0.000 1.758 275 c CB -1.069 41.531 42.510 0.149 0.000 1.972 275 c HN 0.868 nan 8.230 nan 0.000 0.522 276 G N -0.177 108.684 108.800 0.102 0.000 2.317 276 G HA2 0.380 4.339 3.960 -0.001 0.000 0.293 276 G HA3 0.380 4.339 3.960 -0.001 0.000 0.293 276 G C -2.623 171.917 174.900 -0.599 0.000 1.287 276 G CA 0.251 45.371 45.100 0.034 0.000 0.850 276 G HN -0.106 nan 8.290 nan 0.000 0.515 277 P HA 0.054 nan 4.420 nan 0.000 0.225 277 P C -0.120 176.770 177.300 -0.684 0.000 1.148 277 P CA 1.207 63.660 63.100 -1.079 0.000 0.779 277 P CB 0.330 31.725 31.700 -0.508 0.000 0.780 278 D N 0.521 120.624 120.400 -0.494 0.000 2.460 278 D HA 0.149 4.789 4.640 -0.001 0.000 0.232 278 D C -1.458 174.499 176.300 -0.572 0.000 1.079 278 D CA -2.642 51.107 54.000 -0.419 0.000 0.864 278 D CB 1.395 42.039 40.800 -0.260 0.000 1.048 278 D HN -0.009 nan 8.370 nan 0.000 0.523 279 P HA -0.162 nan 4.420 nan 0.000 0.220 279 P C 1.245 177.733 177.300 -1.352 0.000 1.148 279 P CA 0.732 63.048 63.100 -1.306 0.000 0.803 279 P CB 0.547 31.134 31.700 -1.855 0.000 0.782 280 K N 0.219 119.969 120.400 -1.083 0.000 2.147 280 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 280 K C 1.807 178.241 176.600 -0.276 0.000 1.049 280 K CA 1.044 57.022 56.287 -0.514 0.000 0.936 280 K CB -0.157 32.218 32.500 -0.208 0.000 0.722 280 K HN -0.041 nan 8.250 nan 0.000 0.446 281 V N 0.270 120.020 119.914 -0.272 0.000 2.426 281 V HA -0.213 3.907 4.120 -0.001 0.000 0.242 281 V C 2.364 178.444 176.094 -0.023 0.000 1.036 281 V CA 1.218 63.456 62.300 -0.102 0.000 1.044 281 V CB -0.235 31.543 31.823 -0.075 0.000 0.688 281 V HN 0.456 nan 8.190 nan 0.000 0.462 282 c N -0.617 117.894 118.600 -0.149 0.000 2.411 282 c HA -0.212 4.358 4.570 -0.001 0.000 0.279 282 c C 2.982 177.055 174.090 -0.029 0.000 1.288 282 c CA 0.870 57.176 56.329 -0.038 0.000 1.764 282 c CB -1.534 40.871 42.510 -0.176 0.000 1.974 282 c HN 0.762 nan 8.230 nan 0.000 0.498 283 c N 0.828 119.326 118.600 -0.171 0.000 2.410 283 c HA -0.151 4.418 4.570 -0.001 0.000 0.281 283 c C 2.635 176.625 174.090 -0.165 0.000 1.318 283 c CA 1.260 57.536 56.329 -0.088 0.000 1.776 283 c CB -1.432 41.115 42.510 0.062 0.000 1.942 283 c HN 0.644 nan 8.230 nan 0.000 0.508 284 Q N -1.287 118.363 119.800 -0.250 0.000 2.488 284 Q HA -0.030 4.309 4.340 -0.001 0.000 0.211 284 Q C 0.691 176.060 176.000 -1.052 0.000 0.967 284 Q CA 1.041 56.507 55.803 -0.561 0.000 0.926 284 Q CB -0.048 28.336 28.738 -0.590 0.000 0.992 284 Q HN 0.746 nan 8.270 nan 0.000 0.506 285 F N -0.128 119.550 119.950 -0.454 0.000 2.668 285 F HA 0.167 4.694 4.527 -0.001 0.000 0.301 285 F C 0.236 175.777 175.800 -0.432 0.000 1.106 285 F CA -0.555 57.085 58.000 -0.600 0.000 1.289 285 F CB 0.710 39.597 39.000 -0.188 0.000 1.006 285 F HN -0.145 nan 8.300 nan 0.000 0.535 286 D N 0.077 120.265 120.400 -0.353 0.000 2.473 286 D HA 0.130 4.770 4.640 -0.001 0.000 0.226 286 D C 0.538 176.655 176.300 -0.305 0.000 1.089 286 D CA -0.388 53.525 54.000 -0.145 0.000 0.883 286 D CB 0.149 40.911 40.800 -0.063 0.000 1.029 286 D HN 0.087 nan 8.370 nan 0.000 0.517 287 F N 1.842 121.800 119.950 0.014 0.000 2.771 287 F HA 0.060 4.586 4.527 -0.001 0.000 0.299 287 F C 2.333 178.094 175.800 -0.065 0.000 1.177 287 F CA 0.377 58.360 58.000 -0.029 0.000 1.450 287 F CB 0.034 39.035 39.000 0.002 0.000 1.114 287 F HN 0.266 nan 8.300 nan 0.000 0.587 288 K N 0.740 121.089 120.400 -0.085 0.000 2.487 288 K HA 0.049 4.369 4.320 -0.001 0.000 0.192 288 K C 0.976 177.552 176.600 -0.040 0.000 1.027 288 K CA 0.254 56.370 56.287 -0.284 0.000 1.054 288 K CB 0.117 32.296 32.500 -0.536 0.000 0.824 288 K HN 0.181 nan 8.250 nan 0.000 0.510 289 R N 0.187 120.679 120.500 -0.013 0.000 2.702 289 R HA 0.203 4.542 4.340 -0.001 0.000 0.314 289 R C 0.724 177.050 176.300 0.043 0.000 1.152 289 R CA -0.172 55.942 56.100 0.023 0.000 1.097 289 R CB 0.223 30.514 30.300 -0.016 0.000 1.343 289 R HN 0.189 nan 8.270 nan 0.000 0.575 290 M N -0.984 118.678 119.600 0.103 0.000 2.502 290 M HA 0.170 4.649 4.480 -0.001 0.000 0.243 290 M C 1.142 177.477 176.300 0.058 0.000 1.130 290 M CA 0.691 56.031 55.300 0.067 0.000 1.055 290 M CB 0.935 33.585 32.600 0.083 0.000 1.457 290 M HN 0.534 nan 8.290 nan 0.000 0.488 291 G N -0.074 108.777 108.800 0.084 0.000 3.180 291 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.197 291 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.197 291 G C 0.996 175.900 174.900 0.008 0.000 1.149 291 G CA 0.248 45.371 45.100 0.039 0.000 0.847 291 G HN 0.402 nan 8.290 nan 0.000 0.469 292 S N 0.333 116.000 115.700 -0.055 0.000 2.442 292 S HA 0.144 4.613 4.470 -0.001 0.000 0.236 292 S C 1.767 176.184 174.600 -0.305 0.000 1.007 292 S CA 1.660 59.733 58.200 -0.211 0.000 0.965 292 S CB -0.430 62.566 63.200 -0.340 0.000 0.773 292 S HN 0.375 nan 8.310 nan 0.000 0.504 293 F N 1.942 121.888 119.950 -0.007 0.000 2.765 293 F HA 0.422 4.948 4.527 -0.001 0.000 0.302 293 F C 1.927 177.723 175.800 -0.006 0.000 1.111 293 F CA -0.110 57.885 58.000 -0.009 0.000 1.359 293 F CB -0.241 38.751 39.000 -0.014 0.000 1.097 293 F HN 0.372 nan 8.300 nan 0.000 0.577 294 G N 0.948 109.816 108.800 0.113 0.000 2.153 294 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.252 294 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.252 294 G C -0.026 174.924 174.900 0.083 0.000 0.994 294 G CA 0.148 45.292 45.100 0.074 0.000 0.698 294 G HN 0.313 nan 8.290 nan 0.000 0.521 295 L N 0.123 121.410 121.223 0.107 0.000 2.319 295 L HA 0.874 5.214 4.340 -0.001 0.000 0.267 295 L C 0.538 177.439 176.870 0.052 0.000 1.011 295 L CA -0.374 54.511 54.840 0.074 0.000 0.818 295 L CB 2.298 44.400 42.059 0.070 0.000 1.316 295 L HN 0.469 nan 8.230 nan 0.000 0.432 296 S N -0.824 114.893 115.700 0.029 0.000 2.656 296 S HA 0.514 4.984 4.470 -0.001 0.000 0.273 296 S C -1.269 173.339 174.600 0.013 0.000 1.168 296 S CA -0.814 57.394 58.200 0.013 0.000 0.817 296 S CB 1.551 64.750 63.200 -0.002 0.000 1.146 296 S HN 0.526 nan 8.310 nan 0.000 0.475 297 c N 3.104 121.716 118.600 0.019 0.000 2.265 297 c HA 0.543 5.113 4.570 -0.001 0.000 0.332 297 c C -0.998 173.064 174.090 -0.047 0.000 1.248 297 c CA -1.166 55.210 56.329 0.079 0.000 1.727 297 c CB 0.767 43.365 42.510 0.148 0.000 2.348 297 c HN 0.760 nan 8.230 nan 0.000 0.519 298 P HA -0.094 nan 4.420 nan 0.000 0.225 298 P C 1.097 178.084 177.300 -0.521 0.000 1.148 298 P CA 1.242 64.045 63.100 -0.494 0.000 0.779 298 P CB 0.055 31.306 31.700 -0.747 0.000 0.780 299 W N 0.781 122.058 121.300 -0.038 0.000 3.204 299 W HA 0.140 4.800 4.660 -0.001 0.000 0.249 299 W C 0.707 177.199 176.519 -0.045 0.000 1.322 299 W CA 0.158 57.476 57.345 -0.045 0.000 1.593 299 W CB -0.593 28.831 29.460 -0.061 0.000 1.122 299 W HN 0.166 nan 8.180 nan 0.000 0.710 300 K N -1.055 119.375 120.400 0.051 0.000 3.407 300 K HA -0.192 4.127 4.320 -0.001 0.000 0.312 300 K C -0.294 176.325 176.600 0.031 0.000 1.302 300 K CA 0.629 56.929 56.287 0.021 0.000 0.931 300 K CB -2.052 30.451 32.500 0.004 0.000 1.257 300 K HN -0.076 nan 8.250 nan 0.000 0.454 301 V N 1.946 121.893 119.914 0.055 0.000 2.407 301 V HA 0.318 4.437 4.120 -0.001 0.000 0.291 301 V C -1.772 174.310 176.094 -0.020 0.000 1.018 301 V CA -1.494 60.811 62.300 0.008 0.000 0.842 301 V CB 1.548 33.372 31.823 0.001 0.000 0.996 301 V HN -0.018 nan 8.190 nan 0.000 0.426 302 P HA 0.460 nan 4.420 nan 0.000 0.278 302 P C -2.892 174.314 177.300 -0.157 0.000 1.258 302 P CA -2.155 60.899 63.100 -0.077 0.000 0.811 302 P CB 0.901 32.571 31.700 -0.050 0.000 1.063 303 P HA 0.312 nan 4.420 nan 0.000 0.272 303 P C -0.294 176.887 177.300 -0.197 0.000 1.230 303 P CA 0.003 62.877 63.100 -0.377 0.000 0.788 303 P CB 0.637 32.037 31.700 -0.501 0.000 0.949 304 R N 0.140 120.535 120.500 -0.175 0.000 2.686 304 R HA 0.410 4.749 4.340 -0.001 0.000 0.286 304 R C -0.406 175.946 176.300 0.086 0.000 0.969 304 R CA -0.651 55.425 56.100 -0.040 0.000 0.898 304 R CB 1.447 31.704 30.300 -0.072 0.000 1.183 304 R HN 0.366 nan 8.270 nan 0.000 0.456 305 T N 3.910 118.516 114.554 0.086 0.000 2.908 305 T HA 0.045 4.395 4.350 -0.001 0.000 0.301 305 T C 0.751 175.449 174.700 -0.003 0.000 1.019 305 T CA 0.108 62.243 62.100 0.060 0.000 1.152 305 T CB 0.141 69.020 68.868 0.019 0.000 0.966 305 T HN 0.192 nan 8.240 nan 0.000 0.540 306 I N 4.044 124.565 120.570 -0.081 0.000 2.496 306 I HA 0.224 4.393 4.170 -0.001 0.000 0.285 306 I C 1.030 177.097 176.117 -0.085 0.000 1.080 306 I CA 0.134 61.378 61.300 -0.094 0.000 1.404 306 I CB 0.194 38.090 38.000 -0.173 0.000 1.403 306 I HN 0.781 nan 8.210 nan 0.000 0.539 307 S N 3.908 119.569 115.700 -0.065 0.000 2.697 307 S HA 0.449 4.919 4.470 -0.001 0.000 0.289 307 S C 0.328 174.894 174.600 -0.056 0.000 1.149 307 S CA -0.770 57.399 58.200 -0.051 0.000 0.850 307 S CB 2.043 65.221 63.200 -0.037 0.000 1.151 307 S HN 0.498 nan 8.310 nan 0.000 0.491 308 D N 0.538 120.915 120.400 -0.038 0.000 2.218 308 D HA -0.033 4.607 4.640 -0.001 0.000 0.204 308 D C 1.517 177.791 176.300 -0.044 0.000 0.976 308 D CA 1.296 55.274 54.000 -0.036 0.000 0.853 308 D CB -0.223 40.571 40.800 -0.010 0.000 0.939 308 D HN 0.499 nan 8.370 nan 0.000 0.481 309 Q N 0.150 119.928 119.800 -0.037 0.000 2.331 309 Q HA -0.014 4.325 4.340 -0.001 0.000 0.203 309 Q C 1.230 177.205 176.000 -0.042 0.000 0.944 309 Q CA 0.783 56.567 55.803 -0.032 0.000 0.892 309 Q CB -0.043 28.682 28.738 -0.022 0.000 0.983 309 Q HN 0.369 nan 8.270 nan 0.000 0.482 310 N N -1.792 116.875 118.700 -0.055 0.000 2.181 310 N HA -0.008 4.731 4.740 -0.001 0.000 0.207 310 N C 1.089 176.551 175.510 -0.081 0.000 1.182 310 N CA 0.104 53.122 53.050 -0.053 0.000 0.893 310 N CB -0.301 38.162 38.487 -0.040 0.000 1.032 310 N HN 0.030 nan 8.380 nan 0.000 0.513 311 V N 0.556 120.386 119.914 -0.141 0.000 2.469 311 V HA -0.136 3.984 4.120 -0.001 0.000 0.251 311 V C 2.226 178.101 176.094 -0.364 0.000 1.064 311 V CA 2.155 64.312 62.300 -0.238 0.000 1.066 311 V CB -0.855 30.792 31.823 -0.293 0.000 0.667 311 V HN 0.468 nan 8.190 nan 0.000 0.461 312 A N -0.467 122.139 122.820 -0.356 0.000 1.897 312 A HA 0.040 4.360 4.320 -0.001 0.000 0.215 312 A C 2.396 180.030 177.584 0.083 0.000 1.181 312 A CA 1.871 53.839 52.037 -0.116 0.000 0.620 312 A CB -0.873 18.162 19.000 0.058 0.000 0.821 312 A HN 0.757 nan 8.150 nan 0.000 0.443 313 A N -0.444 122.394 122.820 0.030 0.000 1.898 313 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 313 A C 2.233 179.861 177.584 0.073 0.000 1.181 313 A CA 1.248 53.320 52.037 0.059 0.000 0.620 313 A CB -0.400 18.617 19.000 0.028 0.000 0.819 313 A HN 0.390 nan 8.150 nan 0.000 0.442 314 R N 0.084 120.620 120.500 0.059 0.000 2.075 314 R HA -0.045 4.294 4.340 -0.001 0.000 0.232 314 R C 2.427 178.782 176.300 0.093 0.000 1.126 314 R CA 1.539 57.739 56.100 0.165 0.000 0.963 314 R CB -1.007 29.387 30.300 0.157 0.000 0.858 314 R HN 0.524 nan 8.270 nan 0.000 0.435 315 S N 1.369 117.069 115.700 -0.001 0.000 2.368 315 S HA -0.126 4.343 4.470 -0.001 0.000 0.225 315 S C 1.385 175.871 174.600 -0.189 0.000 1.030 315 S CA 1.390 59.489 58.200 -0.168 0.000 0.999 315 S CB -0.226 63.010 63.200 0.060 0.000 0.844 315 S HN 0.260 nan 8.310 nan 0.000 0.459 316 D N 1.411 121.889 120.400 0.130 0.000 2.123 316 D HA -0.051 4.588 4.640 -0.001 0.000 0.196 316 D C 1.891 178.204 176.300 0.022 0.000 0.992 316 D CA 0.743 54.874 54.000 0.218 0.000 0.833 316 D CB -0.355 40.565 40.800 0.200 0.000 0.954 316 D HN 0.289 nan 8.370 nan 0.000 0.455 317 L N -0.055 121.157 121.223 -0.018 0.000 2.017 317 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 317 L C 2.379 179.072 176.870 -0.295 0.000 1.073 317 L CA 0.573 55.376 54.840 -0.062 0.000 0.745 317 L CB -0.240 41.859 42.059 0.067 0.000 0.894 317 L HN 0.097 nan 8.230 nan 0.000 0.432 318 L N -0.867 119.993 121.223 -0.605 0.000 2.072 318 L HA -0.117 4.223 4.340 -0.001 0.000 0.205 318 L C 2.297 178.496 176.870 -1.119 0.000 1.079 318 L CA 1.516 55.663 54.840 -1.155 0.000 0.752 318 L CB -0.311 40.745 42.059 -1.672 0.000 0.906 318 L HN -0.096 nan 8.230 nan 0.000 0.436 319 V N 0.005 119.390 119.914 -0.882 0.000 2.490 319 V HA -0.287 3.832 4.120 -0.001 0.000 0.250 319 V C 2.267 178.200 176.094 -0.269 0.000 1.061 319 V CA 1.892 63.813 62.300 -0.631 0.000 1.064 319 V CB -0.685 30.747 31.823 -0.651 0.000 0.670 319 V HN 0.614 nan 8.190 nan 0.000 0.461 320 D N -0.939 119.362 120.400 -0.165 0.000 2.117 320 D HA -0.193 4.446 4.640 -0.001 0.000 0.198 320 D C 2.213 178.492 176.300 -0.036 0.000 0.982 320 D CA 1.024 55.040 54.000 0.026 0.000 0.828 320 D CB -0.002 40.873 40.800 0.125 0.000 0.967 320 D HN 0.271 nan 8.370 nan 0.000 0.464 321 Q N -0.409 119.305 119.800 -0.144 0.000 2.096 321 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 321 Q C 2.083 178.100 176.000 0.028 0.000 0.982 321 Q CA 1.017 56.761 55.803 -0.099 0.000 0.850 321 Q CB -0.592 28.030 28.738 -0.193 0.000 0.901 321 Q HN 0.551 nan 8.270 nan 0.000 0.422 322 W N 1.409 122.604 121.300 -0.176 0.000 2.358 322 W HA -0.100 4.560 4.660 -0.001 0.000 0.303 322 W C 2.143 178.543 176.519 -0.198 0.000 1.208 322 W CA 0.743 57.982 57.345 -0.177 0.000 1.274 322 W CB -0.685 28.642 29.460 -0.223 0.000 1.138 322 W HN 0.209 nan 8.180 nan 0.000 0.515 323 K N 0.139 120.497 120.400 -0.070 0.000 2.148 323 K HA -0.151 4.169 4.320 -0.001 0.000 0.204 323 K C 1.967 178.395 176.600 -0.288 0.000 1.050 323 K CA 1.323 57.403 56.287 -0.345 0.000 0.942 323 K CB -0.182 31.789 32.500 -0.881 0.000 0.724 323 K HN 0.063 nan 8.250 nan 0.000 0.446 324 K N 0.814 121.133 120.400 -0.134 0.000 2.025 324 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 324 K C 2.090 178.748 176.600 0.097 0.000 1.049 324 K CA 1.196 57.534 56.287 0.085 0.000 0.933 324 K CB -0.015 32.558 32.500 0.122 0.000 0.714 324 K HN 0.007 nan 8.250 nan 0.000 0.438 325 K N 0.844 121.309 120.400 0.108 0.000 2.063 325 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 325 K C 2.090 178.789 176.600 0.165 0.000 1.048 325 K CA 1.337 57.706 56.287 0.136 0.000 0.928 325 K CB -0.138 32.455 32.500 0.154 0.000 0.713 325 K HN 0.152 nan 8.250 nan 0.000 0.442 326 A N 1.306 124.209 122.820 0.139 0.000 2.024 326 A HA -0.175 4.145 4.320 -0.001 0.000 0.220 326 A C 1.738 179.479 177.584 0.262 0.000 1.164 326 A CA 1.540 53.698 52.037 0.200 0.000 0.643 326 A CB -0.383 18.692 19.000 0.124 0.000 0.806 326 A HN 0.329 nan 8.150 nan 0.000 0.451 327 E N -0.076 120.255 120.200 0.218 0.000 2.338 327 E HA -0.083 4.267 4.350 -0.001 0.000 0.197 327 E C 1.626 178.344 176.600 0.198 0.000 1.007 327 E CA 0.605 57.147 56.400 0.237 0.000 0.849 327 E CB -0.235 29.630 29.700 0.275 0.000 0.774 327 E HN 0.735 nan 8.360 nan 0.000 0.506 328 L N -0.566 120.729 121.223 0.120 0.000 2.554 328 L HA 0.031 4.370 4.340 -0.001 0.000 0.226 328 L C 0.329 176.988 176.870 -0.352 0.000 1.137 328 L CA 0.304 55.088 54.840 -0.093 0.000 0.863 328 L CB -0.111 41.779 42.059 -0.280 0.000 0.985 328 L HN -0.001 nan 8.230 nan 0.000 0.451 329 Y N -1.528 118.850 120.300 0.130 0.000 2.630 329 Y HA 0.378 4.927 4.550 -0.001 0.000 0.337 329 Y C 1.218 177.235 175.900 0.195 0.000 1.051 329 Y CA -0.966 57.234 58.100 0.166 0.000 1.121 329 Y CB 1.128 39.697 38.460 0.181 0.000 1.299 329 Y HN -0.282 nan 8.280 nan 0.000 0.498 330 R N -0.585 120.159 120.500 0.406 0.000 2.223 330 R HA 0.077 4.417 4.340 -0.001 0.000 0.198 330 R C 0.403 176.843 176.300 0.234 0.000 0.984 330 R CA 0.839 57.093 56.100 0.257 0.000 1.018 330 R CB 0.190 30.586 30.300 0.160 0.000 0.945 330 R HN 0.766 nan 8.270 nan 0.000 0.479 331 T N -0.668 114.069 114.554 0.304 0.000 2.893 331 T HA 0.100 4.449 4.350 -0.001 0.000 0.279 331 T C 0.651 175.505 174.700 0.257 0.000 0.991 331 T CA -0.899 61.344 62.100 0.239 0.000 0.950 331 T CB 1.121 70.110 68.868 0.202 0.000 1.223 331 T HN 0.087 nan 8.240 nan 0.000 0.585 332 N N -0.051 118.775 118.700 0.210 0.000 2.327 332 N HA 0.148 4.887 4.740 -0.001 0.000 0.231 332 N C -0.779 174.728 175.510 -0.005 0.000 1.130 332 N CA -0.378 52.770 53.050 0.163 0.000 0.845 332 N CB -0.059 38.454 38.487 0.044 0.000 1.073 332 N HN 0.369 nan 8.380 nan 0.000 0.496 333 V N 1.362 121.299 119.914 0.038 0.000 2.409 333 V HA 0.412 4.532 4.120 -0.001 0.000 0.291 333 V C -0.642 175.526 176.094 0.123 0.000 1.020 333 V CA -0.957 61.353 62.300 0.018 0.000 0.848 333 V CB 1.575 33.382 31.823 -0.027 0.000 0.990 333 V HN 0.186 nan 8.190 nan 0.000 0.430 334 L N 5.746 126.976 121.223 0.011 0.000 2.341 334 L HA 0.692 5.032 4.340 -0.001 0.000 0.278 334 L C -0.813 175.926 176.870 -0.219 0.000 1.005 334 L CA -0.455 54.325 54.840 -0.100 0.000 0.818 334 L CB 1.663 43.554 42.059 -0.281 0.000 1.259 334 L HN 0.640 nan 8.230 nan 0.000 0.418 335 L N 6.323 127.212 121.223 -0.556 0.000 2.264 335 L HA 0.560 4.900 4.340 -0.001 0.000 0.289 335 L C -1.051 175.528 176.870 -0.484 0.000 1.044 335 L CA 0.148 54.497 54.840 -0.817 0.000 0.807 335 L CB 0.742 41.798 42.059 -1.670 0.000 1.192 335 L HN 0.442 nan 8.230 nan 0.000 0.425 336 I N 7.300 127.673 120.570 -0.329 0.000 2.537 336 I HA 0.347 4.516 4.170 -0.001 0.000 0.276 336 I C -2.304 173.799 176.117 -0.024 0.000 1.063 336 I CA -1.983 59.217 61.300 -0.165 0.000 1.144 336 I CB 1.053 38.935 38.000 -0.196 0.000 1.252 336 I HN 0.429 nan 8.210 nan 0.000 0.480 337 P HA 0.165 nan 4.420 nan 0.000 0.269 337 P C -0.476 177.014 177.300 0.316 0.000 1.209 337 P CA -0.217 63.027 63.100 0.240 0.000 0.776 337 P CB 0.851 32.735 31.700 0.306 0.000 0.876 338 L N 2.955 124.410 121.223 0.386 0.000 2.454 338 L HA 0.763 5.102 4.340 -0.001 0.000 0.258 338 L C -0.093 176.847 176.870 0.116 0.000 1.025 338 L CA 0.403 55.386 54.840 0.239 0.000 0.901 338 L CB 0.456 42.587 42.059 0.119 0.000 1.210 338 L HN 0.614 nan 8.230 nan 0.000 0.457 339 G N 1.856 110.605 108.800 -0.085 0.000 2.340 339 G HA2 0.444 4.403 3.960 -0.001 0.000 0.299 339 G HA3 0.444 4.403 3.960 -0.001 0.000 0.299 339 G C -2.162 172.631 174.900 -0.179 0.000 1.291 339 G CA -0.200 44.623 45.100 -0.461 0.000 0.841 339 G HN 0.414 nan 8.290 nan 0.000 0.500 340 D N -1.800 118.560 120.400 -0.067 0.000 2.992 340 D HA 0.302 4.941 4.640 -0.001 0.000 0.349 340 D C -1.511 174.936 176.300 0.245 0.000 1.393 340 D CA -0.417 53.728 54.000 0.241 0.000 0.887 340 D CB 1.336 42.220 40.800 0.140 0.000 1.447 340 D HN 0.220 nan 8.370 nan 0.000 0.524 341 D N 0.426 121.020 120.400 0.322 0.000 2.383 341 D HA 0.235 4.875 4.640 -0.001 0.000 0.252 341 D C 0.192 176.650 176.300 0.264 0.000 1.166 341 D CA 0.348 54.516 54.000 0.280 0.000 0.879 341 D CB -0.210 40.856 40.800 0.443 0.000 1.164 341 D HN 0.327 nan 8.370 nan 0.000 0.462 342 F N 0.255 120.265 119.950 0.100 0.000 3.048 342 F HA -0.304 4.223 4.527 -0.001 0.000 0.269 342 F C 1.095 176.934 175.800 0.064 0.000 0.960 342 F CA 0.628 58.666 58.000 0.062 0.000 0.909 342 F CB -0.966 38.060 39.000 0.042 0.000 0.837 342 F HN 0.207 nan 8.300 nan 0.000 0.768 343 R N -0.515 120.072 120.500 0.146 0.000 2.580 343 R HA 0.457 4.797 4.340 -0.001 0.000 0.267 343 R C 0.724 177.049 176.300 0.043 0.000 1.125 343 R CA -0.751 55.318 56.100 -0.053 0.000 1.188 343 R CB -0.086 30.073 30.300 -0.236 0.000 1.155 343 R HN 0.188 nan 8.270 nan 0.000 0.586 344 F N -0.680 119.109 119.950 -0.269 0.000 3.071 344 F HA -0.278 4.249 4.527 -0.001 0.000 0.295 344 F C 1.379 177.137 175.800 -0.070 0.000 0.919 344 F CA 1.073 58.722 58.000 -0.586 0.000 1.050 344 F CB -1.109 37.272 39.000 -1.032 0.000 1.040 344 F HN 0.610 nan 8.300 nan 0.000 0.692 345 K N 0.055 120.516 120.400 0.101 0.000 2.063 345 K HA 0.050 4.370 4.320 -0.001 0.000 0.204 345 K C 0.764 177.513 176.600 0.249 0.000 1.039 345 K CA 0.833 57.250 56.287 0.217 0.000 0.957 345 K CB 0.198 32.795 32.500 0.162 0.000 0.764 345 K HN 0.444 nan 8.250 nan 0.000 0.447 346 Q N 0.565 120.479 119.800 0.191 0.000 2.259 346 Q HA 0.109 4.449 4.340 -0.001 0.000 0.246 346 Q C 0.252 176.447 176.000 0.325 0.000 0.920 346 Q CA -0.303 55.643 55.803 0.237 0.000 0.895 346 Q CB 1.335 30.231 28.738 0.263 0.000 1.220 346 Q HN 0.272 nan 8.270 nan 0.000 0.439 347 N N 0.104 118.966 118.700 0.270 0.000 2.137 347 N HA -0.218 4.522 4.740 -0.001 0.000 0.190 347 N C 1.596 177.277 175.510 0.284 0.000 1.017 347 N CA 1.974 55.188 53.050 0.273 0.000 0.859 347 N CB -0.058 38.538 38.487 0.182 0.000 1.002 347 N HN 0.694 nan 8.380 nan 0.000 0.428 348 T N -1.396 113.318 114.554 0.266 0.000 2.833 348 T HA -0.163 4.187 4.350 -0.001 0.000 0.269 348 T C 1.658 176.563 174.700 0.341 0.000 1.054 348 T CA 1.128 63.406 62.100 0.297 0.000 1.135 348 T CB -0.229 68.808 68.868 0.281 0.000 0.869 348 T HN 0.336 nan 8.240 nan 0.000 0.466 349 E N -0.196 120.155 120.200 0.251 0.000 2.072 349 E HA -0.109 4.241 4.350 -0.001 0.000 0.191 349 E C 1.845 178.365 176.600 -0.133 0.000 0.985 349 E CA 0.816 57.119 56.400 -0.161 0.000 0.801 349 E CB -0.271 29.160 29.700 -0.447 0.000 0.750 349 E HN 0.700 nan 8.360 nan 0.000 0.452 350 W N 1.774 123.005 121.300 -0.115 0.000 2.335 350 W HA -0.188 4.472 4.660 -0.001 0.000 0.311 350 W C 2.156 178.546 176.519 -0.215 0.000 1.213 350 W CA 1.325 58.508 57.345 -0.270 0.000 1.274 350 W CB -0.333 28.616 29.460 -0.852 0.000 1.148 350 W HN 0.187 nan 8.180 nan 0.000 0.498 351 D N -0.480 120.043 120.400 0.205 0.000 2.104 351 D HA -0.187 4.453 4.640 -0.001 0.000 0.194 351 D C 2.276 178.684 176.300 0.180 0.000 0.994 351 D CA 1.576 55.746 54.000 0.283 0.000 0.830 351 D CB -1.024 39.935 40.800 0.266 0.000 0.959 351 D HN 0.024 nan 8.370 nan 0.000 0.452 352 V N 0.882 120.884 119.914 0.146 0.000 2.407 352 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 352 V C 2.237 178.379 176.094 0.080 0.000 1.055 352 V CA 1.573 63.938 62.300 0.110 0.000 1.049 352 V CB -0.072 31.863 31.823 0.186 0.000 0.662 352 V HN 0.163 nan 8.190 nan 0.000 0.455 353 Q N -0.330 119.547 119.800 0.128 0.000 2.020 353 Q HA -0.179 4.161 4.340 -0.001 0.000 0.198 353 Q C 2.341 178.540 176.000 0.333 0.000 0.974 353 Q CA 1.850 57.821 55.803 0.279 0.000 0.829 353 Q CB -0.500 28.385 28.738 0.245 0.000 0.894 353 Q HN 0.620 nan 8.270 nan 0.000 0.433 354 R N 0.593 121.263 120.500 0.284 0.000 2.083 354 R HA -0.122 4.217 4.340 -0.001 0.000 0.237 354 R C 2.251 178.730 176.300 0.298 0.000 1.137 354 R CA 1.502 57.819 56.100 0.363 0.000 0.951 354 R CB -0.155 30.362 30.300 0.363 0.000 0.851 354 R HN 0.061 nan 8.270 nan 0.000 0.434 355 V N 2.010 122.019 119.914 0.159 0.000 2.295 355 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 355 V C 2.073 178.105 176.094 -0.103 0.000 1.049 355 V CA 2.022 64.352 62.300 0.050 0.000 1.024 355 V CB -0.659 31.181 31.823 0.028 0.000 0.648 355 V HN 0.456 nan 8.190 nan 0.000 0.447 356 N N -0.797 117.726 118.700 -0.295 0.000 2.120 356 N HA -0.173 4.566 4.740 -0.001 0.000 0.188 356 N C 1.857 177.024 175.510 -0.572 0.000 1.024 356 N CA 1.689 54.334 53.050 -0.676 0.000 0.852 356 N CB -0.327 37.127 38.487 -1.722 0.000 1.003 356 N HN 0.531 nan 8.380 nan 0.000 0.424 357 Y N 1.893 121.986 120.300 -0.346 0.000 2.242 357 Y HA -0.077 4.473 4.550 -0.001 0.000 0.291 357 Y C 2.384 177.778 175.900 -0.843 0.000 1.137 357 Y CA 1.026 58.809 58.100 -0.529 0.000 1.181 357 Y CB -0.134 38.131 38.460 -0.326 0.000 0.989 357 Y HN 0.130 nan 8.280 nan 0.000 0.527 358 E N -0.252 119.816 120.200 -0.221 0.000 2.118 358 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 358 E C 2.232 178.773 176.600 -0.098 0.000 0.992 358 E CA 1.108 57.453 56.400 -0.091 0.000 0.804 358 E CB -0.123 29.649 29.700 0.120 0.000 0.741 358 E HN 0.452 nan 8.360 nan 0.000 0.458 359 R N 0.311 120.732 120.500 -0.131 0.000 2.081 359 R HA -0.117 4.223 4.340 -0.001 0.000 0.235 359 R C 2.483 178.748 176.300 -0.057 0.000 1.131 359 R CA 0.987 57.041 56.100 -0.078 0.000 0.960 359 R CB -0.324 29.909 30.300 -0.112 0.000 0.856 359 R HN 0.169 nan 8.270 nan 0.000 0.436 360 L N -0.339 120.778 121.223 -0.176 0.000 2.046 360 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 360 L C 2.184 179.101 176.870 0.079 0.000 1.077 360 L CA 1.191 55.967 54.840 -0.107 0.000 0.747 360 L CB -0.419 41.492 42.059 -0.247 0.000 0.896 360 L HN 0.085 nan 8.230 nan 0.000 0.432 361 F N 0.146 120.116 119.950 0.033 0.000 2.146 361 F HA -0.195 4.332 4.527 -0.001 0.000 0.298 361 F C 2.639 178.448 175.800 0.016 0.000 1.096 361 F CA 1.233 59.238 58.000 0.008 0.000 1.275 361 F CB -0.992 37.970 39.000 -0.065 0.000 1.008 361 F HN 0.196 nan 8.300 nan 0.000 0.480 362 E N -0.685 119.651 120.200 0.227 0.000 2.118 362 E HA -0.296 4.053 4.350 -0.001 0.000 0.195 362 E C 2.188 178.881 176.600 0.155 0.000 0.992 362 E CA 1.512 58.006 56.400 0.155 0.000 0.804 362 E CB -0.215 29.557 29.700 0.120 0.000 0.741 362 E HN 0.515 nan 8.360 nan 0.000 0.458 363 H N 0.213 119.335 119.070 0.085 0.000 2.307 363 H HA -0.021 4.534 4.556 -0.001 0.000 0.303 363 H C 2.026 177.445 175.328 0.150 0.000 1.073 363 H CA 2.049 58.160 56.048 0.105 0.000 1.338 363 H CB -0.184 29.634 29.762 0.093 0.000 1.389 363 H HN 0.142 nan 8.280 nan 0.000 0.503 364 I N 0.511 121.145 120.570 0.107 0.000 2.208 364 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 364 I C 1.584 177.727 176.117 0.042 0.000 1.097 364 I CA 1.379 62.694 61.300 0.025 0.000 1.363 364 I CB -0.300 37.652 38.000 -0.081 0.000 1.051 364 I HN 0.354 nan 8.210 nan 0.000 0.413 365 N N 0.271 118.991 118.700 0.033 0.000 2.459 365 N HA -0.098 4.641 4.740 -0.001 0.000 0.181 365 N C 1.758 177.257 175.510 -0.019 0.000 1.046 365 N CA 1.395 54.440 53.050 -0.008 0.000 0.904 365 N CB -0.213 38.260 38.487 -0.023 0.000 0.964 365 N HN 0.399 nan 8.380 nan 0.000 0.444 366 S N -1.032 114.653 115.700 -0.024 0.000 2.540 366 S HA 0.161 4.631 4.470 -0.001 0.000 0.218 366 S C 0.458 175.015 174.600 -0.071 0.000 0.977 366 S CA -0.269 57.910 58.200 -0.036 0.000 0.918 366 S CB 0.296 63.489 63.200 -0.012 0.000 0.806 366 S HN -0.066 nan 8.310 nan 0.000 0.496 367 Q N 1.504 121.237 119.800 -0.112 0.000 2.503 367 Q HA 0.545 4.885 4.340 -0.001 0.000 0.227 367 Q C 0.995 176.869 176.000 -0.210 0.000 1.109 367 Q CA 0.062 55.756 55.803 -0.181 0.000 0.922 367 Q CB 0.948 29.476 28.738 -0.351 0.000 1.249 367 Q HN 0.461 nan 8.270 nan 0.000 0.530 368 A N 2.349 125.107 122.820 -0.102 0.000 1.986 368 A HA -0.265 4.055 4.320 -0.001 0.000 0.220 368 A C 1.576 179.097 177.584 -0.105 0.000 1.171 368 A CA 2.143 54.133 52.037 -0.078 0.000 0.640 368 A CB -0.721 18.260 19.000 -0.031 0.000 0.811 368 A HN 0.876 nan 8.150 nan 0.000 0.451 369 H N -3.648 115.339 119.070 -0.139 0.000 2.543 369 H HA 0.015 4.571 4.556 -0.001 0.000 0.286 369 H C 1.243 176.508 175.328 -0.105 0.000 1.037 369 H CA 1.346 57.305 56.048 -0.148 0.000 1.250 369 H CB -0.517 29.105 29.762 -0.232 0.000 1.373 369 H HN 0.430 nan 8.280 nan 0.000 0.580 370 F N 0.860 120.483 119.950 -0.544 0.000 2.416 370 F HA 0.069 4.595 4.527 -0.001 0.000 0.296 370 F C 0.745 176.476 175.800 -0.115 0.000 1.099 370 F CA 0.304 58.134 58.000 -0.284 0.000 1.427 370 F CB -0.201 38.619 39.000 -0.300 0.000 1.079 370 F HN 0.144 nan 8.300 nan 0.000 0.536 371 N N 0.859 119.597 118.700 0.064 0.000 2.714 371 N HA -0.168 4.571 4.740 -0.001 0.000 0.252 371 N C -0.999 174.492 175.510 -0.032 0.000 1.014 371 N CA 0.456 53.527 53.050 0.035 0.000 0.735 371 N CB -1.402 37.148 38.487 0.104 0.000 0.924 371 N HN 0.026 nan 8.380 nan 0.000 0.540 372 V N 0.611 120.497 119.914 -0.046 0.000 2.735 372 V HA 0.409 4.528 4.120 -0.001 0.000 0.310 372 V C 0.138 176.143 176.094 -0.149 0.000 1.061 372 V CA -0.683 61.536 62.300 -0.136 0.000 0.913 372 V CB 2.467 34.242 31.823 -0.080 0.000 1.005 372 V HN 0.182 nan 8.190 nan 0.000 0.428 373 Q N 3.098 122.752 119.800 -0.244 0.000 2.363 373 Q HA 0.753 5.092 4.340 -0.001 0.000 0.265 373 Q C -0.807 174.928 176.000 -0.441 0.000 1.032 373 Q CA -0.143 55.495 55.803 -0.275 0.000 0.746 373 Q CB 1.540 30.120 28.738 -0.262 0.000 1.237 373 Q HN 0.998 nan 8.270 nan 0.000 0.475 374 A N 4.142 126.687 122.820 -0.459 0.000 2.340 374 A HA 0.920 5.239 4.320 -0.001 0.000 0.331 374 A C -1.064 175.809 177.584 -1.186 0.000 1.140 374 A CA -0.419 51.169 52.037 -0.748 0.000 0.801 374 A CB 1.154 19.887 19.000 -0.446 0.000 1.234 374 A HN 0.827 nan 8.150 nan 0.000 0.469 375 Q N 0.342 119.309 119.800 -1.390 0.000 2.756 375 Q HA 0.507 4.847 4.340 -0.001 0.000 0.295 375 Q C -1.764 173.767 176.000 -0.782 0.000 0.903 375 Q CA -0.810 54.206 55.803 -1.311 0.000 0.768 375 Q CB 0.533 28.906 28.738 -0.609 0.000 1.472 375 Q HN 0.392 nan 8.270 nan 0.000 0.416 376 F N 0.377 120.240 119.950 -0.145 0.000 2.429 376 F HA 0.702 5.229 4.527 -0.001 0.000 0.348 376 F C 1.079 176.933 175.800 0.089 0.000 1.109 376 F CA 1.272 59.321 58.000 0.082 0.000 1.232 376 F CB 1.442 40.545 39.000 0.172 0.000 1.157 376 F HN 0.748 nan 8.300 nan 0.000 0.564 377 G N 0.304 109.298 108.800 0.324 0.000 2.682 377 G HA2 0.598 4.558 3.960 -0.001 0.000 0.290 377 G HA3 0.598 4.558 3.960 -0.001 0.000 0.290 377 G C -1.119 173.782 174.900 0.002 0.000 1.425 377 G CA -0.708 44.516 45.100 0.206 0.000 0.807 377 G HN 0.698 nan 8.290 nan 0.000 0.482 378 T N -1.738 112.732 114.554 -0.140 0.000 2.937 378 T HA 0.467 4.817 4.350 -0.001 0.000 0.283 378 T C 1.312 175.854 174.700 -0.263 0.000 1.012 378 T CA -0.479 61.505 62.100 -0.193 0.000 0.997 378 T CB 1.542 70.309 68.868 -0.168 0.000 1.136 378 T HN 0.574 nan 8.240 nan 0.000 0.551 379 L N 0.500 121.567 121.223 -0.260 0.000 2.046 379 L HA 0.006 4.346 4.340 -0.001 0.000 0.208 379 L C 2.731 179.552 176.870 -0.082 0.000 1.077 379 L CA 1.979 56.693 54.840 -0.210 0.000 0.747 379 L CB -1.097 40.871 42.059 -0.151 0.000 0.896 379 L HN 0.884 nan 8.230 nan 0.000 0.432 380 Q N -0.091 119.685 119.800 -0.039 0.000 2.119 380 Q HA -0.208 4.131 4.340 -0.001 0.000 0.201 380 Q C 2.073 177.998 176.000 -0.124 0.000 0.972 380 Q CA 1.908 57.723 55.803 0.019 0.000 0.847 380 Q CB -0.153 28.570 28.738 -0.025 0.000 0.903 380 Q HN 0.639 nan 8.270 nan 0.000 0.433 381 E N -1.163 118.870 120.200 -0.279 0.000 2.077 381 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 381 E C 1.692 177.849 176.600 -0.737 0.000 0.989 381 E CA 1.179 57.289 56.400 -0.483 0.000 0.800 381 E CB -0.320 28.992 29.700 -0.646 0.000 0.746 381 E HN 0.465 nan 8.360 nan 0.000 0.452 382 Y N 0.674 120.439 120.300 -0.891 0.000 2.097 382 Y HA -0.283 4.266 4.550 -0.001 0.000 0.282 382 Y C 1.895 177.486 175.900 -0.514 0.000 1.152 382 Y CA 1.632 59.242 58.100 -0.817 0.000 1.136 382 Y CB -0.503 37.502 38.460 -0.758 0.000 0.975 382 Y HN -0.055 nan 8.280 nan 0.000 0.498 383 F N 0.958 120.648 119.950 -0.433 0.000 2.171 383 F HA -0.189 4.338 4.527 -0.001 0.000 0.300 383 F C 2.255 177.829 175.800 -0.378 0.000 1.090 383 F CA 1.779 59.505 58.000 -0.456 0.000 1.293 383 F CB -0.876 38.050 39.000 -0.123 0.000 1.013 383 F HN 0.111 nan 8.300 nan 0.000 0.486 384 D N -0.038 120.308 120.400 -0.090 0.000 2.123 384 D HA -0.155 4.484 4.640 -0.001 0.000 0.196 384 D C 2.347 178.569 176.300 -0.131 0.000 0.992 384 D CA 1.477 55.433 54.000 -0.072 0.000 0.833 384 D CB -0.567 40.178 40.800 -0.092 0.000 0.954 384 D HN 0.248 nan 8.370 nan 0.000 0.455 385 A N 0.450 123.131 122.820 -0.231 0.000 1.897 385 A HA -0.087 4.233 4.320 -0.001 0.000 0.215 385 A C 2.526 179.982 177.584 -0.212 0.000 1.181 385 A CA 0.880 52.825 52.037 -0.154 0.000 0.620 385 A CB -0.660 18.317 19.000 -0.039 0.000 0.821 385 A HN 0.127 nan 8.150 nan 0.000 0.443 386 V N 0.041 119.690 119.914 -0.441 0.000 2.287 386 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 386 V C 2.431 178.322 176.094 -0.338 0.000 1.053 386 V CA 2.182 64.213 62.300 -0.448 0.000 1.027 386 V CB -1.021 30.343 31.823 -0.764 0.000 0.646 386 V HN 0.654 nan 8.190 nan 0.000 0.447 387 H N -0.337 118.613 119.070 -0.200 0.000 2.462 387 H HA -0.078 4.477 4.556 -0.001 0.000 0.292 387 H C 2.412 177.705 175.328 -0.058 0.000 1.049 387 H CA 1.355 57.322 56.048 -0.134 0.000 1.334 387 H CB -0.067 29.577 29.762 -0.196 0.000 1.404 387 H HN 0.558 nan 8.280 nan 0.000 0.544 388 Q N 0.345 120.158 119.800 0.022 0.000 2.084 388 Q HA -0.070 4.269 4.340 -0.001 0.000 0.202 388 Q C 2.565 178.582 176.000 0.028 0.000 0.978 388 Q CA 1.310 57.125 55.803 0.020 0.000 0.844 388 Q CB -0.008 28.730 28.738 0.000 0.000 0.898 388 Q HN 0.403 nan 8.270 nan 0.000 0.426 389 A N 1.108 123.939 122.820 0.019 0.000 1.902 389 A HA -0.270 4.049 4.320 -0.001 0.000 0.217 389 A C 1.954 179.568 177.584 0.049 0.000 1.181 389 A CA 1.645 53.708 52.037 0.043 0.000 0.623 389 A CB -0.579 18.452 19.000 0.052 0.000 0.818 389 A HN 0.459 nan 8.150 nan 0.000 0.443 390 E N -0.151 120.093 120.200 0.074 0.000 2.038 390 E HA -0.237 4.113 4.350 -0.001 0.000 0.195 390 E C 2.201 178.837 176.600 0.061 0.000 1.000 390 E CA 1.305 57.756 56.400 0.085 0.000 0.803 390 E CB -0.160 29.692 29.700 0.254 0.000 0.750 390 E HN 0.588 nan 8.360 nan 0.000 0.448 391 R N -0.247 120.294 120.500 0.068 0.000 2.193 391 R HA -0.042 4.298 4.340 -0.001 0.000 0.229 391 R C 2.024 178.341 176.300 0.029 0.000 1.110 391 R CA 0.800 56.927 56.100 0.045 0.000 0.988 391 R CB -0.123 30.199 30.300 0.037 0.000 0.871 391 R HN 0.138 nan 8.270 nan 0.000 0.458 392 A N 0.307 123.145 122.820 0.030 0.000 2.259 392 A HA 0.215 4.534 4.320 -0.001 0.000 0.208 392 A C 1.336 178.930 177.584 0.016 0.000 1.201 392 A CA 0.673 52.725 52.037 0.024 0.000 0.824 392 A CB -0.152 18.868 19.000 0.034 0.000 0.838 392 A HN 0.430 nan 8.150 nan 0.000 0.485 393 G N -0.314 108.491 108.800 0.010 0.000 2.143 393 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.248 393 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.248 393 G C 0.784 175.675 174.900 -0.016 0.000 0.991 393 G CA 0.741 45.838 45.100 -0.006 0.000 0.689 393 G HN 0.953 nan 8.290 nan 0.000 0.522 394 Q N -0.537 119.260 119.800 -0.006 0.000 2.424 394 Q HA 0.637 4.977 4.340 -0.001 0.000 0.204 394 Q C 0.895 176.867 176.000 -0.046 0.000 0.933 394 Q CA 1.311 57.112 55.803 -0.004 0.000 0.929 394 Q CB 0.310 29.082 28.738 0.057 0.000 1.037 394 Q HN 1.634 nan 8.270 nan 0.000 0.511 395 A N 1.141 123.889 122.820 -0.120 0.000 2.604 395 A HA 0.516 4.836 4.320 -0.001 0.000 0.295 395 A C -1.684 175.662 177.584 -0.397 0.000 1.067 395 A CA -0.905 50.971 52.037 -0.270 0.000 0.683 395 A CB 1.300 20.077 19.000 -0.372 0.000 1.281 395 A HN 0.375 nan 8.150 nan 0.000 0.407 396 E N 0.848 120.803 120.200 -0.408 0.000 2.266 396 E HA 0.737 5.087 4.350 -0.001 0.000 0.268 396 E C -1.772 174.601 176.600 -0.378 0.000 0.879 396 E CA -0.541 55.683 56.400 -0.293 0.000 0.762 396 E CB 1.743 31.387 29.700 -0.095 0.000 1.199 396 E HN 0.319 nan 8.360 nan 0.000 0.422 397 F N 1.865 121.920 119.950 0.175 0.000 2.458 397 F HA 0.411 4.938 4.527 -0.000 0.000 0.330 397 F C -1.803 174.095 175.800 0.162 0.000 1.082 397 F CA -2.255 55.870 58.000 0.207 0.000 0.995 397 F CB 1.229 40.429 39.000 0.333 0.000 1.170 397 F HN 0.334 nan 8.300 nan 0.000 0.478 398 P HA 0.198 nan 4.420 nan 0.000 0.274 398 P C -0.754 176.686 177.300 0.232 0.000 1.246 398 P CA -0.352 62.875 63.100 0.212 0.000 0.795 398 P CB 1.087 32.882 31.700 0.158 0.000 1.006 399 T N -0.828 113.815 114.554 0.148 0.000 2.902 399 T HA 0.698 5.047 4.350 -0.001 0.000 0.283 399 T C -0.323 174.409 174.700 0.054 0.000 1.009 399 T CA -0.817 61.364 62.100 0.136 0.000 1.051 399 T CB 1.178 70.103 68.868 0.095 0.000 0.999 399 T HN 0.483 nan 8.240 nan 0.000 0.474 400 L N 1.684 122.939 121.223 0.053 0.000 2.472 400 L HA 0.737 5.077 4.340 -0.001 0.000 0.260 400 L C -0.814 176.044 176.870 -0.019 0.000 0.963 400 L CA -0.410 54.354 54.840 -0.127 0.000 0.829 400 L CB 2.192 43.944 42.059 -0.512 0.000 1.348 400 L HN 1.117 nan 8.230 nan 0.000 0.408 401 S N 2.323 117.967 115.700 -0.093 0.000 2.627 401 S HA 1.060 5.530 4.470 -0.001 0.000 0.283 401 S C -0.347 174.185 174.600 -0.114 0.000 1.127 401 S CA -0.056 58.153 58.200 0.015 0.000 0.863 401 S CB 2.006 65.175 63.200 -0.053 0.000 1.121 401 S HN 1.749 nan 8.310 nan 0.000 0.479 402 G N 0.992 109.782 108.800 -0.016 0.000 2.343 402 G HA2 0.329 4.289 3.960 -0.001 0.000 0.562 402 G HA3 0.329 4.289 3.960 -0.001 0.000 0.562 402 G C -1.754 173.042 174.900 -0.173 0.000 1.269 402 G CA -0.021 44.966 45.100 -0.187 0.000 1.011 402 G HN 1.278 nan 8.290 nan 0.000 0.498 403 D N -1.825 118.338 120.400 -0.395 0.000 2.654 403 D HA 0.758 5.398 4.640 -0.001 0.000 0.255 403 D C -0.558 175.194 176.300 -0.913 0.000 1.101 403 D CA -1.058 52.707 54.000 -0.392 0.000 1.116 403 D CB 0.991 41.748 40.800 -0.072 0.000 1.348 403 D HN 0.373 nan 8.370 nan 0.000 0.609 404 F N -0.544 119.275 119.950 -0.219 0.000 2.679 404 F HA 0.400 4.926 4.527 -0.001 0.000 0.354 404 F C -0.960 174.691 175.800 -0.248 0.000 1.423 404 F CA -0.636 57.243 58.000 -0.201 0.000 1.141 404 F CB 0.161 39.071 39.000 -0.151 0.000 1.168 404 F HN -0.001 nan 8.300 nan 0.000 0.530 405 F N -0.624 119.508 119.950 0.303 0.000 2.546 405 F HA 0.576 5.103 4.527 -0.001 0.000 0.320 405 F C 0.525 176.592 175.800 0.445 0.000 1.076 405 F CA -1.389 56.861 58.000 0.417 0.000 0.928 405 F CB 1.785 41.022 39.000 0.394 0.000 1.189 405 F HN -0.288 nan 8.300 nan 0.000 0.465 406 T N 2.098 117.040 114.554 0.647 0.000 2.795 406 T HA 0.188 4.537 4.350 -0.001 0.000 0.282 406 T C -0.972 174.192 174.700 0.773 0.000 0.980 406 T CA -0.273 62.271 62.100 0.740 0.000 1.012 406 T CB 0.217 69.380 68.868 0.491 0.000 0.936 406 T HN 0.371 nan 8.240 nan 0.000 0.457 407 Y N 3.067 123.693 120.300 0.544 0.000 2.610 407 Y HA 0.382 4.932 4.550 -0.001 0.000 0.332 407 Y C -0.113 175.816 175.900 0.048 0.000 1.201 407 Y CA -0.923 57.320 58.100 0.239 0.000 1.465 407 Y CB 0.100 38.586 38.460 0.043 0.000 1.283 407 Y HN 0.679 nan 8.280 nan 0.000 0.563 408 A N 5.278 127.607 122.820 -0.819 0.000 2.359 408 A HA 0.363 4.682 4.320 -0.001 0.000 0.303 408 A C -0.103 176.842 177.584 -1.065 0.000 1.066 408 A CA -0.272 51.156 52.037 -1.016 0.000 0.730 408 A CB 0.688 18.822 19.000 -1.443 0.000 1.211 408 A HN 0.797 nan 8.150 nan 0.000 0.439 409 D N 1.583 121.502 120.400 -0.802 0.000 2.346 409 D HA 0.063 4.703 4.640 -0.001 0.000 0.206 409 D C 0.520 176.834 176.300 0.023 0.000 1.001 409 D CA 0.519 54.306 54.000 -0.356 0.000 0.871 409 D CB 0.148 40.872 40.800 -0.125 0.000 0.943 409 D HN 0.732 nan 8.370 nan 0.000 0.518 410 R N -2.318 118.133 120.500 -0.082 0.000 2.687 410 R HA 0.392 4.731 4.340 -0.001 0.000 0.265 410 R C -0.048 176.135 176.300 -0.194 0.000 1.048 410 R CA -0.180 55.715 56.100 -0.342 0.000 0.884 410 R CB 0.730 30.911 30.300 -0.199 0.000 1.258 410 R HN -0.137 nan 8.270 nan 0.000 0.469 411 S N 0.406 115.933 115.700 -0.287 0.000 4.106 411 S HA -0.325 4.145 4.470 -0.001 0.000 0.541 411 S C 0.610 175.299 174.600 0.149 0.000 1.846 411 S CA 2.182 60.379 58.200 -0.005 0.000 4.137 411 S CB -0.997 62.181 63.200 -0.037 0.000 0.892 411 S HN 1.078 nan 8.310 nan 0.000 0.535 412 D N 1.361 121.832 120.400 0.119 0.000 2.424 412 D HA 0.194 4.834 4.640 -0.001 0.000 0.220 412 D C -0.035 176.382 176.300 0.195 0.000 1.150 412 D CA -0.141 53.998 54.000 0.231 0.000 0.831 412 D CB -1.431 39.480 40.800 0.185 0.000 0.981 412 D HN 0.534 nan 8.370 nan 0.000 0.500 413 N N 0.922 119.643 118.700 0.034 0.000 2.605 413 N HA 0.059 4.799 4.740 -0.001 0.000 0.258 413 N C -0.972 174.575 175.510 0.062 0.000 1.156 413 N CA -0.285 52.789 53.050 0.039 0.000 1.008 413 N CB 0.176 38.670 38.487 0.011 0.000 1.354 413 N HN 0.127 nan 8.380 nan 0.000 0.509 414 Y N 0.286 120.678 120.300 0.152 0.000 2.308 414 Y HA 0.141 4.690 4.550 -0.001 0.000 0.329 414 Y C 0.050 176.154 175.900 0.341 0.000 1.111 414 Y CA -0.687 57.564 58.100 0.251 0.000 1.179 414 Y CB 0.672 39.223 38.460 0.153 0.000 1.201 414 Y HN 0.410 nan 8.280 nan 0.000 0.483 415 W N 2.477 123.900 121.300 0.205 0.000 1.809 415 W HA 0.229 4.889 4.660 -0.001 0.000 0.399 415 W C 0.771 177.306 176.519 0.027 0.000 0.636 415 W CA -0.613 56.880 57.345 0.246 0.000 2.178 415 W CB -0.479 29.250 29.460 0.448 0.000 1.632 415 W HN 0.538 nan 8.180 nan 0.000 0.470 416 S N -2.109 113.594 115.700 0.005 0.000 2.540 416 S HA 0.141 4.610 4.470 -0.001 0.000 0.218 416 S C 1.918 176.209 174.600 -0.515 0.000 0.977 416 S CA 0.295 58.101 58.200 -0.655 0.000 0.918 416 S CB 0.245 63.404 63.200 -0.068 0.000 0.806 416 S HN 0.337 nan 8.310 nan 0.000 0.496 417 G N 1.947 110.655 108.800 -0.152 0.000 2.408 417 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.217 417 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.217 417 G C 1.225 176.096 174.900 -0.048 0.000 1.150 417 G CA 0.836 45.866 45.100 -0.116 0.000 0.776 417 G HN 0.789 nan 8.290 nan 0.000 0.542 418 Y N -0.676 119.586 120.300 -0.064 0.000 2.632 418 Y HA 0.181 4.731 4.550 -0.001 0.000 0.301 418 Y C 1.724 177.752 175.900 0.213 0.000 1.172 418 Y CA -0.374 57.770 58.100 0.074 0.000 1.328 418 Y CB -0.274 38.307 38.460 0.202 0.000 1.016 418 Y HN 0.159 nan 8.280 nan 0.000 0.529 419 Y N 0.560 120.620 120.300 -0.400 0.000 2.571 419 Y HA 0.009 4.558 4.550 -0.001 0.000 0.294 419 Y C 1.621 177.461 175.900 -0.100 0.000 1.141 419 Y CA 0.506 58.401 58.100 -0.342 0.000 1.308 419 Y CB -0.553 37.752 38.460 -0.258 0.000 1.002 419 Y HN 0.312 nan 8.280 nan 0.000 0.551 420 T N -2.729 111.887 114.554 0.104 0.000 2.980 420 T HA 0.074 4.424 4.350 -0.001 0.000 0.252 420 T C 0.704 175.489 174.700 0.142 0.000 0.962 420 T CA -0.078 62.087 62.100 0.109 0.000 0.932 420 T CB 0.045 68.945 68.868 0.055 0.000 1.188 420 T HN -0.080 nan 8.240 nan 0.000 0.500 421 S N 2.484 118.266 115.700 0.135 0.000 2.573 421 S HA 0.163 4.632 4.470 -0.001 0.000 0.297 421 S C 0.405 175.138 174.600 0.223 0.000 1.280 421 S CA 0.044 58.336 58.200 0.153 0.000 1.061 421 S CB 0.067 63.342 63.200 0.124 0.000 0.812 421 S HN 0.409 nan 8.310 nan 0.000 0.500 422 R N 1.140 121.789 120.500 0.247 0.000 3.146 422 R HA -0.128 4.212 4.340 -0.001 0.000 0.250 422 R C -1.891 174.653 176.300 0.407 0.000 0.912 422 R CA 0.708 57.032 56.100 0.373 0.000 0.633 422 R CB -1.609 28.944 30.300 0.422 0.000 1.180 422 R HN 0.522 nan 8.270 nan 0.000 0.464 423 P HA -0.222 nan 4.420 nan 0.000 0.223 423 P C 1.074 178.573 177.300 0.332 0.000 1.151 423 P CA 0.985 64.297 63.100 0.353 0.000 0.787 423 P CB -0.002 31.950 31.700 0.419 0.000 0.788 424 Y N 1.526 121.906 120.300 0.133 0.000 2.181 424 Y HA -0.238 4.311 4.550 -0.001 0.000 0.288 424 Y C 2.219 178.079 175.900 -0.067 0.000 1.146 424 Y CA 2.031 60.131 58.100 0.001 0.000 1.164 424 Y CB -0.897 37.438 38.460 -0.208 0.000 0.982 424 Y HN 0.060 nan 8.280 nan 0.000 0.515 425 H N -0.918 118.379 119.070 0.378 0.000 2.482 425 H HA 0.049 4.604 4.556 -0.001 0.000 0.286 425 H C 1.999 177.447 175.328 0.200 0.000 1.017 425 H CA 1.118 57.292 56.048 0.210 0.000 1.322 425 H CB -0.043 29.916 29.762 0.328 0.000 1.426 425 H HN 0.242 nan 8.280 nan 0.000 0.546 426 K N 0.409 121.011 120.400 0.336 0.000 2.057 426 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 426 K C 2.222 178.863 176.600 0.068 0.000 1.049 426 K CA 1.137 57.571 56.287 0.245 0.000 0.931 426 K CB 0.090 32.711 32.500 0.202 0.000 0.714 426 K HN 0.027 nan 8.250 nan 0.000 0.440 427 R N 1.509 122.009 120.500 -0.001 0.000 2.092 427 R HA -0.002 4.337 4.340 -0.001 0.000 0.231 427 R C 2.019 178.013 176.300 -0.509 0.000 1.119 427 R CA 1.404 57.424 56.100 -0.132 0.000 0.970 427 R CB -0.449 29.873 30.300 0.036 0.000 0.864 427 R HN 0.161 nan 8.270 nan 0.000 0.440 428 M N 0.263 119.402 119.600 -0.769 0.000 2.202 428 M HA -0.183 4.296 4.480 -0.001 0.000 0.262 428 M C 1.364 177.279 176.300 -0.642 0.000 1.063 428 M CA 2.362 56.956 55.300 -1.176 0.000 1.097 428 M CB -0.281 31.830 32.600 -0.814 0.000 1.382 428 M HN 0.267 nan 8.290 nan 0.000 0.413 429 D N -0.203 120.028 120.400 -0.281 0.000 2.123 429 D HA -0.206 4.434 4.640 -0.001 0.000 0.196 429 D C 1.899 178.112 176.300 -0.145 0.000 0.992 429 D CA 1.389 55.347 54.000 -0.071 0.000 0.833 429 D CB 0.135 41.046 40.800 0.186 0.000 0.954 429 D HN 0.220 nan 8.370 nan 0.000 0.455 430 R N 0.036 120.430 120.500 -0.177 0.000 2.090 430 R HA 0.012 4.352 4.340 -0.001 0.000 0.228 430 R C 2.432 178.622 176.300 -0.185 0.000 1.110 430 R CA 0.406 56.416 56.100 -0.150 0.000 0.973 430 R CB -0.947 29.283 30.300 -0.116 0.000 0.869 430 R HN 0.248 nan 8.270 nan 0.000 0.440 431 V N 1.580 121.285 119.914 -0.348 0.000 2.261 431 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 431 V C 2.363 178.295 176.094 -0.269 0.000 1.047 431 V CA 1.547 63.638 62.300 -0.349 0.000 1.015 431 V CB -0.560 30.774 31.823 -0.814 0.000 0.642 431 V HN 0.140 nan 8.190 nan 0.000 0.446 432 L N -0.362 120.620 121.223 -0.402 0.000 2.141 432 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 432 L C 2.293 179.092 176.870 -0.119 0.000 1.094 432 L CA 1.991 56.660 54.840 -0.284 0.000 0.763 432 L CB -0.666 41.219 42.059 -0.289 0.000 0.908 432 L HN 0.353 nan 8.230 nan 0.000 0.437 433 M N -1.337 118.194 119.600 -0.115 0.000 2.082 433 M HA -0.324 4.156 4.480 -0.001 0.000 0.258 433 M C 2.347 178.606 176.300 -0.069 0.000 1.069 433 M CA 2.403 57.639 55.300 -0.106 0.000 1.102 433 M CB -0.400 32.109 32.600 -0.151 0.000 1.336 433 M HN 0.539 nan 8.290 nan 0.000 0.404 434 H N -0.714 118.320 119.070 -0.062 0.000 2.363 434 H HA -0.131 4.425 4.556 -0.001 0.000 0.301 434 H C 1.437 176.813 175.328 0.081 0.000 1.074 434 H CA 2.231 58.274 56.048 -0.007 0.000 1.354 434 H CB -0.336 29.432 29.762 0.010 0.000 1.397 434 H HN 0.474 nan 8.280 nan 0.000 0.516 435 Y N -0.488 119.641 120.300 -0.284 0.000 2.242 435 Y HA -0.141 4.408 4.550 -0.001 0.000 0.291 435 Y C 2.722 178.487 175.900 -0.226 0.000 1.137 435 Y CA 1.162 59.105 58.100 -0.261 0.000 1.181 435 Y CB -0.562 37.817 38.460 -0.134 0.000 0.989 435 Y HN 0.109 nan 8.280 nan 0.000 0.527 436 V N 0.176 120.075 119.914 -0.025 0.000 2.295 436 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 436 V C 2.536 178.567 176.094 -0.106 0.000 1.049 436 V CA 2.187 64.445 62.300 -0.069 0.000 1.024 436 V CB -0.551 31.223 31.823 -0.082 0.000 0.648 436 V HN 0.319 nan 8.190 nan 0.000 0.447 437 R N 0.419 120.834 120.500 -0.141 0.000 2.081 437 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 437 R C 2.223 178.459 176.300 -0.107 0.000 1.131 437 R CA 1.817 57.845 56.100 -0.120 0.000 0.960 437 R CB -0.463 29.766 30.300 -0.118 0.000 0.856 437 R HN 0.457 nan 8.270 nan 0.000 0.436 438 A N 0.647 123.340 122.820 -0.211 0.000 1.930 438 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 438 A C 2.343 179.879 177.584 -0.080 0.000 1.175 438 A CA 1.500 53.481 52.037 -0.094 0.000 0.627 438 A CB -0.640 18.230 19.000 -0.216 0.000 0.815 438 A HN 0.566 nan 8.150 nan 0.000 0.443 439 A N -0.120 122.641 122.820 -0.098 0.000 1.898 439 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 439 A C 1.927 179.461 177.584 -0.083 0.000 1.181 439 A CA 1.453 53.444 52.037 -0.078 0.000 0.620 439 A CB -0.476 18.487 19.000 -0.061 0.000 0.819 439 A HN 0.597 nan 8.150 nan 0.000 0.442 440 E N -0.918 119.230 120.200 -0.085 0.000 2.106 440 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 440 E C 2.036 178.573 176.600 -0.105 0.000 0.984 440 E CA 1.344 57.686 56.400 -0.097 0.000 0.806 440 E CB -0.247 29.396 29.700 -0.094 0.000 0.750 440 E HN 0.755 nan 8.360 nan 0.000 0.458 441 M N 0.688 120.250 119.600 -0.063 0.000 2.123 441 M HA -0.113 4.367 4.480 -0.001 0.000 0.263 441 M C 2.140 178.438 176.300 -0.002 0.000 1.069 441 M CA 1.231 56.496 55.300 -0.058 0.000 1.133 441 M CB 0.072 32.734 32.600 0.103 0.000 1.356 441 M HN 0.063 nan 8.290 nan 0.000 0.415 442 L N 0.210 121.478 121.223 0.075 0.000 2.079 442 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 442 L C 2.586 179.606 176.870 0.250 0.000 1.081 442 L CA 1.706 56.646 54.840 0.167 0.000 0.752 442 L CB -0.569 41.440 42.059 -0.083 0.000 0.896 442 L HN 0.521 nan 8.230 nan 0.000 0.433 443 S N -1.077 114.688 115.700 0.108 0.000 2.528 443 S HA 0.088 4.557 4.470 -0.001 0.000 0.219 443 S C 1.958 176.718 174.600 0.266 0.000 0.985 443 S CA 0.355 58.685 58.200 0.216 0.000 0.914 443 S CB 0.072 63.200 63.200 -0.121 0.000 0.776 443 S HN 0.290 nan 8.310 nan 0.000 0.526 444 A N 0.879 123.685 122.820 -0.025 0.000 2.067 444 A HA 0.103 4.422 4.320 -0.001 0.000 0.219 444 A C 1.680 179.147 177.584 -0.196 0.000 1.158 444 A CA 0.713 52.636 52.037 -0.190 0.000 0.661 444 A CB -1.127 17.605 19.000 -0.447 0.000 0.801 444 A HN 0.760 nan 8.150 nan 0.000 0.452 445 W N -0.724 120.578 121.300 0.003 0.000 2.425 445 W HA 0.008 4.668 4.660 -0.001 0.000 0.277 445 W C 1.050 177.363 176.519 -0.343 0.000 1.231 445 W CA 0.949 58.196 57.345 -0.164 0.000 1.248 445 W CB -0.149 29.154 29.460 -0.261 0.000 1.117 445 W HN 0.386 nan 8.180 nan 0.000 0.568 446 H N -2.307 116.829 119.070 0.110 0.000 2.797 446 H HA 0.383 4.939 4.556 -0.001 0.000 0.362 446 H C -0.450 174.792 175.328 -0.145 0.000 1.183 446 H CA -0.909 55.046 56.048 -0.155 0.000 1.197 446 H CB 1.727 31.146 29.762 -0.571 0.000 1.835 446 H HN -0.449 nan 8.280 nan 0.000 0.567 447 S N 0.655 116.321 115.700 -0.056 0.000 2.480 447 S HA 0.295 4.764 4.470 -0.001 0.000 0.286 447 S C -1.407 173.107 174.600 -0.142 0.000 1.180 447 S CA -0.669 57.523 58.200 -0.014 0.000 1.075 447 S CB 0.162 63.357 63.200 -0.008 0.000 0.996 447 S HN 0.367 nan 8.310 nan 0.000 0.487 448 W N 2.342 123.642 121.300 0.001 0.000 2.606 448 W HA 0.362 5.021 4.660 -0.001 0.000 0.332 448 W C 0.023 176.501 176.519 -0.069 0.000 1.052 448 W CA -0.835 56.483 57.345 -0.043 0.000 1.223 448 W CB 0.579 29.975 29.460 -0.106 0.000 1.383 448 W HN 0.618 nan 8.180 nan 0.000 0.524 449 D N 0.734 121.209 120.400 0.125 0.000 2.472 449 D HA 0.138 4.778 4.640 -0.001 0.000 0.237 449 D C 1.631 177.934 176.300 0.005 0.000 1.141 449 D CA 1.105 55.146 54.000 0.069 0.000 0.875 449 D CB 1.256 42.127 40.800 0.119 0.000 1.192 449 D HN 0.544 nan 8.370 nan 0.000 0.450 450 G N 2.913 111.725 108.800 0.021 0.000 2.462 450 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.220 450 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.220 450 G C 1.299 176.178 174.900 -0.034 0.000 1.121 450 G CA 0.404 45.502 45.100 -0.002 0.000 0.758 450 G HN 0.476 nan 8.290 nan 0.000 0.559 451 M N 1.072 120.666 119.600 -0.011 0.000 2.460 451 M HA 0.118 4.597 4.480 -0.001 0.000 0.263 451 M C 2.725 178.948 176.300 -0.127 0.000 1.071 451 M CA 0.629 55.949 55.300 0.032 0.000 1.096 451 M CB -0.860 31.868 32.600 0.213 0.000 1.408 451 M HN 0.310 nan 8.290 nan 0.000 0.463 452 A N -0.142 122.350 122.820 -0.546 0.000 2.167 452 A HA -0.027 4.292 4.320 -0.001 0.000 0.214 452 A C 1.231 178.605 177.584 -0.349 0.000 1.151 452 A CA 0.301 51.776 52.037 -0.937 0.000 0.735 452 A CB -0.397 17.938 19.000 -1.109 0.000 0.802 452 A HN 0.578 nan 8.150 nan 0.000 0.467 453 R N -1.593 118.784 120.500 -0.205 0.000 3.627 453 R HA -0.187 4.152 4.340 -0.001 0.000 0.281 453 R C 0.692 176.887 176.300 -0.175 0.000 1.140 453 R CA 0.734 56.757 56.100 -0.128 0.000 0.761 453 R CB -2.016 28.244 30.300 -0.066 0.000 1.181 453 R HN 0.488 nan 8.270 nan 0.000 0.472 454 I N 0.384 120.797 120.570 -0.260 0.000 2.163 454 I HA -0.185 3.984 4.170 -0.001 0.000 0.240 454 I C 2.108 178.102 176.117 -0.205 0.000 1.081 454 I CA 1.637 62.736 61.300 -0.335 0.000 1.353 454 I CB -0.658 37.002 38.000 -0.566 0.000 1.054 454 I HN 0.195 nan 8.210 nan 0.000 0.407 455 E N 0.756 120.874 120.200 -0.137 0.000 2.110 455 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 455 E C 2.074 178.629 176.600 -0.074 0.000 0.988 455 E CA 1.163 57.511 56.400 -0.087 0.000 0.804 455 E CB -0.241 29.432 29.700 -0.045 0.000 0.745 455 E HN 0.466 nan 8.360 nan 0.000 0.458 456 E N 0.412 120.571 120.200 -0.069 0.000 2.038 456 E HA -0.262 4.087 4.350 -0.001 0.000 0.195 456 E C 1.951 178.514 176.600 -0.061 0.000 1.000 456 E CA 1.128 57.497 56.400 -0.052 0.000 0.803 456 E CB 0.084 29.759 29.700 -0.042 0.000 0.750 456 E HN -0.031 nan 8.360 nan 0.000 0.448 457 R N 0.315 120.767 120.500 -0.080 0.000 2.096 457 R HA -0.028 4.311 4.340 -0.001 0.000 0.235 457 R C 2.392 178.644 176.300 -0.081 0.000 1.127 457 R CA 0.949 57.004 56.100 -0.075 0.000 0.968 457 R CB -0.520 29.729 30.300 -0.085 0.000 0.861 457 R HN 0.289 nan 8.270 nan 0.000 0.440 458 L N -0.156 121.007 121.223 -0.099 0.000 2.093 458 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 458 L C 2.377 179.190 176.870 -0.096 0.000 1.085 458 L CA 1.515 56.296 54.840 -0.099 0.000 0.755 458 L CB -0.431 41.562 42.059 -0.109 0.000 0.904 458 L HN 0.304 nan 8.230 nan 0.000 0.435 459 E N 0.192 120.339 120.200 -0.087 0.000 2.077 459 E HA -0.303 4.046 4.350 -0.001 0.000 0.193 459 E C 2.208 178.741 176.600 -0.112 0.000 0.989 459 E CA 1.301 57.642 56.400 -0.098 0.000 0.800 459 E CB -0.011 29.653 29.700 -0.060 0.000 0.746 459 E HN 0.431 nan 8.360 nan 0.000 0.452 460 Q N 0.082 119.835 119.800 -0.078 0.000 2.061 460 Q HA -0.219 4.121 4.340 -0.001 0.000 0.204 460 Q C 2.090 178.042 176.000 -0.080 0.000 0.984 460 Q CA 1.725 57.489 55.803 -0.066 0.000 0.846 460 Q CB -0.256 28.457 28.738 -0.042 0.000 0.902 460 Q HN 0.353 nan 8.270 nan 0.000 0.421 461 A N 1.102 123.874 122.820 -0.079 0.000 1.877 461 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 461 A C 2.104 179.624 177.584 -0.106 0.000 1.186 461 A CA 1.486 53.475 52.037 -0.079 0.000 0.620 461 A CB -0.534 18.426 19.000 -0.067 0.000 0.822 461 A HN 0.391 nan 8.150 nan 0.000 0.443 462 R N -0.719 119.699 120.500 -0.137 0.000 2.091 462 R HA -0.123 4.217 4.340 -0.001 0.000 0.238 462 R C 2.459 178.606 176.300 -0.255 0.000 1.136 462 R CA 1.683 57.676 56.100 -0.177 0.000 0.959 462 R CB -0.322 29.861 30.300 -0.195 0.000 0.856 462 R HN 0.503 nan 8.270 nan 0.000 0.437 463 R N 0.373 120.684 120.500 -0.313 0.000 2.092 463 R HA -0.093 4.246 4.340 -0.001 0.000 0.231 463 R C 2.127 178.364 176.300 -0.104 0.000 1.119 463 R CA 1.082 56.935 56.100 -0.412 0.000 0.970 463 R CB -0.047 30.046 30.300 -0.346 0.000 0.864 463 R HN 0.219 nan 8.270 nan 0.000 0.440 464 E N 0.732 120.904 120.200 -0.047 0.000 2.107 464 E HA -0.158 4.192 4.350 -0.001 0.000 0.191 464 E C 1.978 178.606 176.600 0.045 0.000 0.982 464 E CA 0.704 57.120 56.400 0.025 0.000 0.809 464 E CB -0.214 29.489 29.700 0.004 0.000 0.756 464 E HN 0.158 nan 8.360 nan 0.000 0.459 465 L N 1.219 122.435 121.223 -0.011 0.000 2.093 465 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 465 L C 2.129 179.040 176.870 0.067 0.000 1.085 465 L CA 1.560 56.411 54.840 0.020 0.000 0.755 465 L CB -0.558 41.477 42.059 -0.040 0.000 0.904 465 L HN -0.104 nan 8.230 nan 0.000 0.435 466 S N -0.440 115.266 115.700 0.009 0.000 2.368 466 S HA -0.162 4.307 4.470 -0.001 0.000 0.225 466 S C 1.828 176.572 174.600 0.239 0.000 1.030 466 S CA 1.485 59.723 58.200 0.063 0.000 0.999 466 S CB -0.542 62.586 63.200 -0.119 0.000 0.844 466 S HN 0.472 nan 8.310 nan 0.000 0.459 467 L N 0.707 122.115 121.223 0.308 0.000 2.046 467 L HA 0.010 4.350 4.340 -0.001 0.000 0.208 467 L C 1.848 178.821 176.870 0.170 0.000 1.077 467 L CA 1.621 56.636 54.840 0.292 0.000 0.747 467 L CB -0.620 41.577 42.059 0.230 0.000 0.896 467 L HN 0.283 nan 8.230 nan 0.000 0.432 468 F N -0.188 119.727 119.950 -0.058 0.000 2.546 468 F HA -0.125 4.402 4.527 -0.001 0.000 0.298 468 F C 2.148 177.859 175.800 -0.147 0.000 1.120 468 F CA 0.850 58.700 58.000 -0.250 0.000 1.456 468 F CB -0.229 38.657 39.000 -0.189 0.000 1.088 468 F HN 0.256 nan 8.300 nan 0.000 0.572 469 Q N -0.383 119.374 119.800 -0.072 0.000 2.488 469 Q HA -0.139 4.200 4.340 -0.001 0.000 0.211 469 Q C 0.579 176.511 176.000 -0.114 0.000 0.967 469 Q CA 0.450 56.185 55.803 -0.113 0.000 0.926 469 Q CB -1.300 27.447 28.738 0.014 0.000 0.992 469 Q HN 0.496 nan 8.270 nan 0.000 0.506 470 H N 1.936 120.888 119.070 -0.197 0.000 3.058 470 H HA -0.117 4.438 4.556 -0.001 0.000 0.347 470 H C 1.327 176.497 175.328 -0.263 0.000 1.087 470 H CA 0.773 56.709 56.048 -0.186 0.000 1.375 470 H CB 0.576 30.245 29.762 -0.155 0.000 1.312 470 H HN 0.242 nan 8.280 nan 0.000 0.607 471 H N 1.708 120.342 119.070 -0.727 0.000 2.563 471 H HA 0.003 4.559 4.556 -0.001 0.000 0.272 471 H C -0.317 174.565 175.328 -0.744 0.000 1.005 471 H CA 0.751 56.334 56.048 -0.776 0.000 1.171 471 H CB 0.287 29.596 29.762 -0.755 0.000 1.351 471 H HN 0.599 nan 8.280 nan 0.000 0.602 472 D N 0.317 119.997 120.400 -1.199 0.000 2.513 472 D HA 0.132 4.771 4.640 -0.001 0.000 0.222 472 D C 1.548 177.812 176.300 -0.059 0.000 1.210 472 D CA 0.278 54.120 54.000 -0.263 0.000 0.825 472 D CB 0.889 41.782 40.800 0.154 0.000 1.037 472 D HN 0.516 nan 8.370 nan 0.000 0.506 473 G N 1.284 109.826 108.800 -0.430 0.000 2.618 473 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.222 473 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.222 473 G C 1.337 175.610 174.900 -1.044 0.000 1.520 473 G CA -0.207 44.392 45.100 -0.836 0.000 0.930 473 G HN 0.193 nan 8.290 nan 0.000 0.547 474 I N 2.044 121.690 120.570 -1.541 0.000 2.530 474 I HA -0.189 3.981 4.170 -0.001 0.000 0.257 474 I C 2.885 178.894 176.117 -0.180 0.000 1.179 474 I CA 2.045 62.759 61.300 -0.977 0.000 1.440 474 I CB -0.063 37.549 38.000 -0.647 0.000 1.087 474 I HN 0.387 nan 8.210 nan 0.000 0.440 475 T N -1.702 112.792 114.554 -0.099 0.000 3.007 475 T HA 0.009 4.359 4.350 -0.001 0.000 0.270 475 T C 1.557 176.405 174.700 0.246 0.000 1.107 475 T CA 0.674 62.922 62.100 0.246 0.000 1.118 475 T CB -0.515 68.486 68.868 0.220 0.000 0.889 475 T HN 0.627 nan 8.240 nan 0.000 0.506 476 G N 1.418 110.314 108.800 0.160 0.000 2.176 476 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.252 476 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.252 476 G C 0.588 175.560 174.900 0.120 0.000 1.024 476 G CA 0.665 45.883 45.100 0.196 0.000 0.755 476 G HN 1.115 nan 8.290 nan 0.000 0.507 477 T N -3.158 111.455 114.554 0.099 0.000 3.176 477 T HA 0.730 5.079 4.350 -0.001 0.000 0.263 477 T C 0.950 175.838 174.700 0.314 0.000 1.021 477 T CA 1.040 63.126 62.100 -0.024 0.000 0.905 477 T CB 0.949 69.620 68.868 -0.329 0.000 1.057 477 T HN 1.538 nan 8.240 nan 0.000 0.558 478 A N 1.341 124.368 122.820 0.345 0.000 2.256 478 A HA 0.666 4.986 4.320 -0.001 0.000 0.318 478 A C 0.304 177.984 177.584 0.160 0.000 1.103 478 A CA -0.915 51.359 52.037 0.395 0.000 0.860 478 A CB 0.806 20.079 19.000 0.456 0.000 1.182 478 A HN 0.383 nan 8.150 nan 0.000 0.501 479 K N -0.378 120.038 120.400 0.027 0.000 2.230 479 K HA 0.159 4.478 4.320 -0.001 0.000 0.253 479 K C 1.148 177.749 176.600 0.002 0.000 1.008 479 K CA 0.313 56.599 56.287 -0.002 0.000 0.910 479 K CB 0.296 32.787 32.500 -0.015 0.000 0.994 479 K HN 0.733 nan 8.250 nan 0.000 0.495 480 T N 1.193 115.779 114.554 0.052 0.000 2.665 480 T HA -0.198 4.151 4.350 -0.001 0.000 0.268 480 T C 1.676 176.402 174.700 0.044 0.000 1.035 480 T CA 1.832 63.967 62.100 0.057 0.000 1.151 480 T CB -0.433 68.480 68.868 0.075 0.000 0.862 480 T HN 0.681 nan 8.240 nan 0.000 0.438 481 H N 0.616 119.674 119.070 -0.019 0.000 2.521 481 H HA 0.104 4.660 4.556 -0.001 0.000 0.286 481 H C 2.001 177.295 175.328 -0.057 0.000 1.034 481 H CA 0.787 56.817 56.048 -0.031 0.000 1.278 481 H CB -0.765 28.974 29.762 -0.037 0.000 1.386 481 H HN 0.269 nan 8.280 nan 0.000 0.567 482 V N 1.110 120.657 119.914 -0.613 0.000 2.407 482 V HA -0.166 3.953 4.120 -0.001 0.000 0.245 482 V C 3.008 178.896 176.094 -0.343 0.000 1.041 482 V CA 1.075 63.037 62.300 -0.564 0.000 1.040 482 V CB -0.414 31.132 31.823 -0.462 0.000 0.671 482 V HN 0.235 nan 8.190 nan 0.000 0.455 483 V N 0.029 119.881 119.914 -0.103 0.000 2.332 483 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 483 V C 2.467 178.529 176.094 -0.053 0.000 1.055 483 V CA 2.006 64.308 62.300 0.003 0.000 1.038 483 V CB -0.548 31.234 31.823 -0.068 0.000 0.651 483 V HN 0.415 nan 8.190 nan 0.000 0.450 484 V N 0.426 120.318 119.914 -0.037 0.000 2.343 484 V HA -0.308 3.811 4.120 -0.001 0.000 0.247 484 V C 2.310 178.414 176.094 0.017 0.000 1.051 484 V CA 2.449 64.761 62.300 0.020 0.000 1.036 484 V CB -0.694 31.153 31.823 0.039 0.000 0.654 484 V HN 0.655 nan 8.190 nan 0.000 0.451 485 D N -1.038 119.325 120.400 -0.061 0.000 2.117 485 D HA -0.196 4.444 4.640 -0.001 0.000 0.197 485 D C 1.985 178.292 176.300 0.011 0.000 0.987 485 D CA 1.466 55.429 54.000 -0.062 0.000 0.829 485 D CB -0.165 40.536 40.800 -0.165 0.000 0.961 485 D HN 0.502 nan 8.370 nan 0.000 0.460 486 Y N 0.960 121.290 120.300 0.050 0.000 2.224 486 Y HA -0.031 4.518 4.550 -0.001 0.000 0.289 486 Y C 2.430 178.293 175.900 -0.062 0.000 1.146 486 Y CA 1.176 59.299 58.100 0.039 0.000 1.182 486 Y CB -0.696 37.850 38.460 0.143 0.000 0.983 486 Y HN 0.136 nan 8.280 nan 0.000 0.524 487 E N 0.184 120.478 120.200 0.157 0.000 2.051 487 E HA -0.259 4.090 4.350 -0.001 0.000 0.192 487 E C 1.982 178.652 176.600 0.116 0.000 0.991 487 E CA 1.447 57.954 56.400 0.178 0.000 0.799 487 E CB -0.034 29.855 29.700 0.314 0.000 0.748 487 E HN 0.577 nan 8.360 nan 0.000 0.449 488 Q N -0.024 119.833 119.800 0.095 0.000 2.084 488 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 488 Q C 2.336 178.367 176.000 0.051 0.000 0.978 488 Q CA 1.448 57.291 55.803 0.068 0.000 0.844 488 Q CB -0.126 28.645 28.738 0.055 0.000 0.898 488 Q HN 0.198 nan 8.270 nan 0.000 0.426 489 R N 0.155 120.690 120.500 0.059 0.000 2.083 489 R HA -0.087 4.253 4.340 -0.001 0.000 0.237 489 R C 2.307 178.614 176.300 0.012 0.000 1.137 489 R CA 1.564 57.691 56.100 0.046 0.000 0.951 489 R CB -0.223 30.130 30.300 0.088 0.000 0.851 489 R HN 0.308 nan 8.270 nan 0.000 0.434 490 M N 0.050 119.642 119.600 -0.014 0.000 2.175 490 M HA -0.176 4.303 4.480 -0.001 0.000 0.264 490 M C 2.356 178.620 176.300 -0.060 0.000 1.063 490 M CA 1.405 56.657 55.300 -0.082 0.000 1.119 490 M CB -0.185 32.301 32.600 -0.190 0.000 1.377 490 M HN 0.056 nan 8.290 nan 0.000 0.415 491 Q N 0.980 120.780 119.800 -0.001 0.000 2.084 491 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 491 Q C 1.742 177.743 176.000 0.002 0.000 0.978 491 Q CA 1.628 57.443 55.803 0.021 0.000 0.844 491 Q CB -0.075 28.700 28.738 0.063 0.000 0.898 491 Q HN 0.328 nan 8.270 nan 0.000 0.426 492 E N -0.241 119.962 120.200 0.004 0.000 2.106 492 E HA -0.110 4.239 4.350 -0.001 0.000 0.192 492 E C 1.806 178.397 176.600 -0.015 0.000 0.984 492 E CA 1.099 57.499 56.400 0.000 0.000 0.806 492 E CB -0.390 29.313 29.700 0.005 0.000 0.750 492 E HN 0.477 nan 8.360 nan 0.000 0.458 493 A N 1.079 123.880 122.820 -0.032 0.000 1.898 493 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 493 A C 2.385 179.939 177.584 -0.049 0.000 1.181 493 A CA 0.911 52.920 52.037 -0.047 0.000 0.620 493 A CB -0.657 18.303 19.000 -0.067 0.000 0.819 493 A HN 0.174 nan 8.150 nan 0.000 0.442 494 L N -0.555 120.618 121.223 -0.083 0.000 2.012 494 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 494 L C 2.604 179.484 176.870 0.016 0.000 1.073 494 L CA 1.834 56.611 54.840 -0.105 0.000 0.748 494 L CB -0.452 41.479 42.059 -0.214 0.000 0.891 494 L HN 0.363 nan 8.230 nan 0.000 0.431 495 K N -0.071 120.336 120.400 0.013 0.000 2.057 495 K HA -0.166 4.154 4.320 -0.001 0.000 0.207 495 K C 2.227 178.845 176.600 0.030 0.000 1.049 495 K CA 1.373 57.679 56.287 0.032 0.000 0.931 495 K CB -0.295 32.215 32.500 0.017 0.000 0.714 495 K HN 0.302 nan 8.250 nan 0.000 0.440 496 A N 1.183 124.008 122.820 0.009 0.000 1.902 496 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 496 A C 2.448 180.035 177.584 0.005 0.000 1.181 496 A CA 1.542 53.575 52.037 -0.005 0.000 0.623 496 A CB -1.019 17.966 19.000 -0.026 0.000 0.818 496 A HN 0.415 nan 8.150 nan 0.000 0.443 497 C N -0.974 118.347 119.300 0.035 0.000 2.429 497 C HA -0.136 4.324 4.460 -0.001 0.000 0.277 497 C C 2.888 177.931 174.990 0.089 0.000 1.262 497 C CA 1.316 60.373 59.018 0.063 0.000 1.733 497 C CB -1.286 26.548 27.740 0.157 0.000 2.010 497 C HN 0.803 nan 8.230 nan 0.000 0.483 498 Q N 0.274 120.156 119.800 0.137 0.000 2.050 498 Q HA -0.278 4.061 4.340 -0.001 0.000 0.202 498 Q C 2.173 178.244 176.000 0.119 0.000 0.980 498 Q CA 2.087 57.973 55.803 0.138 0.000 0.840 498 Q CB -0.310 28.514 28.738 0.142 0.000 0.898 498 Q HN 0.577 nan 8.270 nan 0.000 0.424 499 M N 0.055 119.697 119.600 0.070 0.000 2.082 499 M HA -0.158 4.321 4.480 -0.001 0.000 0.258 499 M C 1.878 178.197 176.300 0.031 0.000 1.069 499 M CA 1.666 56.997 55.300 0.051 0.000 1.102 499 M CB -0.570 32.039 32.600 0.016 0.000 1.336 499 M HN 0.151 nan 8.290 nan 0.000 0.404 500 V N 0.199 120.094 119.914 -0.032 0.000 2.343 500 V HA -0.305 3.814 4.120 -0.001 0.000 0.247 500 V C 2.438 178.491 176.094 -0.068 0.000 1.051 500 V CA 2.237 64.460 62.300 -0.128 0.000 1.036 500 V CB -0.687 31.037 31.823 -0.166 0.000 0.654 500 V HN 0.575 nan 8.190 nan 0.000 0.451 501 M N 0.174 119.792 119.600 0.029 0.000 2.086 501 M HA -0.245 4.235 4.480 -0.001 0.000 0.261 501 M C 2.375 178.733 176.300 0.096 0.000 1.067 501 M CA 2.316 57.672 55.300 0.093 0.000 1.116 501 M CB -0.470 32.274 32.600 0.240 0.000 1.348 501 M HN 0.536 nan 8.290 nan 0.000 0.407 502 Q N -0.161 119.779 119.800 0.233 0.000 2.172 502 Q HA -0.127 4.213 4.340 -0.001 0.000 0.200 502 Q C 1.806 177.982 176.000 0.294 0.000 0.964 502 Q CA 1.164 57.116 55.803 0.247 0.000 0.855 502 Q CB -0.585 28.415 28.738 0.438 0.000 0.918 502 Q HN 0.417 nan 8.270 nan 0.000 0.444 503 Q N 0.524 120.485 119.800 0.269 0.000 2.119 503 Q HA -0.043 4.296 4.340 -0.001 0.000 0.201 503 Q C 2.253 178.497 176.000 0.407 0.000 0.972 503 Q CA 1.645 57.685 55.803 0.396 0.000 0.847 503 Q CB -0.147 28.733 28.738 0.237 0.000 0.903 503 Q HN 0.509 nan 8.270 nan 0.000 0.433 504 S N 0.389 116.208 115.700 0.199 0.000 2.368 504 S HA -0.087 4.383 4.470 -0.001 0.000 0.224 504 S C 2.216 176.861 174.600 0.074 0.000 1.029 504 S CA 0.985 59.355 58.200 0.283 0.000 0.988 504 S CB -0.207 63.090 63.200 0.162 0.000 0.838 504 S HN 0.123 nan 8.310 nan 0.000 0.462 505 V N 0.796 120.617 119.914 -0.154 0.000 2.295 505 V HA -0.200 3.919 4.120 -0.001 0.000 0.246 505 V C 2.009 178.074 176.094 -0.049 0.000 1.049 505 V CA 1.889 63.967 62.300 -0.370 0.000 1.024 505 V CB -0.764 30.404 31.823 -1.091 0.000 0.648 505 V HN 0.546 nan 8.190 nan 0.000 0.447 506 Y N 1.174 121.522 120.300 0.079 0.000 2.207 506 Y HA -0.256 4.293 4.550 -0.001 0.000 0.287 506 Y C 2.719 178.682 175.900 0.105 0.000 1.156 506 Y CA 2.243 60.489 58.100 0.243 0.000 1.182 506 Y CB -0.278 38.250 38.460 0.114 0.000 0.979 506 Y HN 0.111 nan 8.280 nan 0.000 0.521 507 R N -0.330 120.063 120.500 -0.178 0.000 2.119 507 R HA -0.041 4.298 4.340 -0.001 0.000 0.222 507 R C 2.022 178.003 176.300 -0.531 0.000 1.088 507 R CA 1.219 56.849 56.100 -0.783 0.000 0.984 507 R CB -0.266 29.587 30.300 -0.745 0.000 0.884 507 R HN 0.434 nan 8.270 nan 0.000 0.447 508 L N 0.339 121.402 121.223 -0.267 0.000 2.291 508 L HA -0.027 4.312 4.340 -0.001 0.000 0.214 508 L C 1.380 178.130 176.870 -0.200 0.000 1.120 508 L CA 0.726 55.376 54.840 -0.318 0.000 0.799 508 L CB 0.152 41.869 42.059 -0.569 0.000 0.925 508 L HN 0.217 nan 8.230 nan 0.000 0.446 509 L N -1.172 120.026 121.223 -0.042 0.000 2.910 509 L HA 0.221 4.560 4.340 -0.001 0.000 0.252 509 L C -0.201 176.701 176.870 0.053 0.000 1.195 509 L CA -0.074 54.820 54.840 0.090 0.000 1.003 509 L CB 0.390 42.669 42.059 0.367 0.000 1.328 509 L HN -0.001 nan 8.230 nan 0.000 0.540 510 T N 0.166 114.670 114.554 -0.082 0.000 2.824 510 T HA 0.178 4.527 4.350 -0.001 0.000 0.282 510 T C -0.144 174.462 174.700 -0.156 0.000 0.993 510 T CA -0.565 61.469 62.100 -0.110 0.000 0.967 510 T CB 2.381 71.132 68.868 -0.195 0.000 0.960 510 T HN 0.026 nan 8.240 nan 0.000 0.441 511 K N 4.093 124.418 120.400 -0.126 0.000 2.504 511 K HA -0.023 4.297 4.320 -0.001 0.000 0.278 511 K C -1.663 174.898 176.600 -0.064 0.000 1.025 511 K CA -1.005 55.227 56.287 -0.093 0.000 1.093 511 K CB 0.456 32.910 32.500 -0.077 0.000 0.873 511 K HN 0.171 nan 8.250 nan 0.000 0.483 512 P HA -0.208 nan 4.420 nan 0.000 0.216 512 P C 0.817 178.133 177.300 0.026 0.000 1.153 512 P CA 1.525 64.601 63.100 -0.040 0.000 0.858 512 P CB 0.102 31.770 31.700 -0.053 0.000 0.789 513 S N -2.193 113.511 115.700 0.006 0.000 2.607 513 S HA 0.043 4.513 4.470 -0.001 0.000 0.224 513 S C 1.662 176.274 174.600 0.020 0.000 0.969 513 S CA 0.511 58.719 58.200 0.013 0.000 0.927 513 S CB -1.144 62.055 63.200 -0.002 0.000 0.772 513 S HN 0.108 nan 8.310 nan 0.000 0.533 514 I N -0.760 119.830 120.570 0.033 0.000 3.790 514 I HA 0.220 4.389 4.170 -0.001 0.000 0.305 514 I C 0.462 176.630 176.117 0.085 0.000 1.253 514 I CA -0.421 60.904 61.300 0.042 0.000 1.355 514 I CB 0.049 38.066 38.000 0.029 0.000 1.137 514 I HN 0.267 nan 8.210 nan 0.000 0.435 515 Y N 2.687 122.942 120.300 -0.074 0.000 2.804 515 Y HA -0.022 4.527 4.550 -0.001 0.000 0.338 515 Y C 0.430 176.315 175.900 -0.026 0.000 1.252 515 Y CA 0.001 58.031 58.100 -0.117 0.000 1.576 515 Y CB 0.404 38.737 38.460 -0.213 0.000 1.223 515 Y HN -0.129 nan 8.280 nan 0.000 0.536 516 S N 9.034 124.554 115.700 -0.301 0.000 2.216 516 S HA 0.358 4.827 4.470 -0.001 0.000 0.156 516 S C -2.797 171.601 174.600 -0.337 0.000 1.665 516 S CA -1.246 56.769 58.200 -0.308 0.000 1.262 516 S CB -0.102 63.038 63.200 -0.101 0.000 1.207 516 S HN 0.675 nan 8.310 nan 0.000 0.427 517 P HA 0.315 nan 4.420 nan 0.000 0.275 517 P C -1.171 175.862 177.300 -0.445 0.000 1.227 517 P CA -0.167 62.677 63.100 -0.427 0.000 0.781 517 P CB 0.879 32.261 31.700 -0.529 0.000 0.906 518 D N 2.386 122.721 120.400 -0.109 0.000 2.414 518 D HA 0.154 4.794 4.640 -0.001 0.000 0.232 518 D C 0.239 176.570 176.300 0.051 0.000 1.070 518 D CA -0.725 53.199 54.000 -0.127 0.000 0.839 518 D CB 0.229 40.998 40.800 -0.052 0.000 1.079 518 D HN 0.039 nan 8.370 nan 0.000 0.521 519 F N 1.704 121.767 119.950 0.188 0.000 2.722 519 F HA -0.041 4.485 4.527 -0.001 0.000 0.298 519 F C 2.342 178.219 175.800 0.128 0.000 1.175 519 F CA 0.559 58.671 58.000 0.188 0.000 1.462 519 F CB -0.422 38.670 39.000 0.153 0.000 1.111 519 F HN 0.371 nan 8.300 nan 0.000 0.592 520 S N -2.030 113.814 115.700 0.241 0.000 2.539 520 S HA 0.143 4.613 4.470 -0.001 0.000 0.221 520 S C 0.287 174.923 174.600 0.059 0.000 0.987 520 S CA -0.430 57.851 58.200 0.134 0.000 0.929 520 S CB -0.620 62.639 63.200 0.099 0.000 0.832 520 S HN 0.070 nan 8.310 nan 0.000 0.492 521 F N 2.937 122.827 119.950 -0.101 0.000 2.389 521 F HA 0.583 5.109 4.527 -0.001 0.000 0.337 521 F C 0.123 175.697 175.800 -0.376 0.000 1.112 521 F CA -0.581 57.227 58.000 -0.321 0.000 1.192 521 F CB 1.475 40.125 39.000 -0.583 0.000 1.185 521 F HN -0.036 nan 8.300 nan 0.000 0.552 522 S N 5.848 120.730 115.700 -1.362 0.000 2.464 522 S HA 0.157 4.626 4.470 -0.001 0.000 0.313 522 S C 0.375 174.365 174.600 -1.017 0.000 1.078 522 S CA -0.345 57.347 58.200 -0.846 0.000 1.096 522 S CB -0.186 62.657 63.200 -0.595 0.000 1.032 522 S HN 0.641 nan 8.310 nan 0.000 0.498 523 Y N 1.792 121.867 120.300 -0.376 0.000 2.314 523 Y HA 0.170 4.719 4.550 -0.001 0.000 0.293 523 Y C 0.361 175.716 175.900 -0.909 0.000 1.129 523 Y CA 0.796 58.554 58.100 -0.569 0.000 1.201 523 Y CB 0.138 38.328 38.460 -0.451 0.000 0.999 523 Y HN 0.499 nan 8.280 nan 0.000 0.541 524 F N -1.535 118.362 119.950 -0.088 0.000 2.613 524 F HA 0.466 4.993 4.527 -0.001 0.000 0.314 524 F C -0.097 175.735 175.800 0.054 0.000 1.075 524 F CA -1.486 56.524 58.000 0.018 0.000 0.945 524 F CB 1.633 40.784 39.000 0.251 0.000 1.310 524 F HN -0.401 nan 8.300 nan 0.000 0.467 525 T N -0.005 114.716 114.554 0.279 0.000 2.856 525 T HA 0.737 5.086 4.350 -0.001 0.000 0.283 525 T C -0.664 174.152 174.700 0.194 0.000 1.008 525 T CA -0.814 61.390 62.100 0.173 0.000 0.997 525 T CB 1.272 70.184 68.868 0.073 0.000 0.992 525 T HN 0.513 nan 8.240 nan 0.000 0.454 526 L N 1.852 123.118 121.223 0.072 0.000 2.417 526 L HA 0.463 4.802 4.340 -0.001 0.000 0.268 526 L C 0.096 176.957 176.870 -0.014 0.000 1.158 526 L CA -0.318 54.459 54.840 -0.106 0.000 0.819 526 L CB 0.712 42.669 42.059 -0.169 0.000 1.112 526 L HN 0.814 nan 8.230 nan 0.000 0.458 527 D N 1.063 121.432 120.400 -0.052 0.000 2.481 527 D HA 0.204 4.843 4.640 -0.001 0.000 0.246 527 D C -1.318 174.909 176.300 -0.122 0.000 1.109 527 D CA -0.405 53.565 54.000 -0.050 0.000 0.845 527 D CB 1.130 41.929 40.800 -0.003 0.000 1.160 527 D HN 0.279 nan 8.370 nan 0.000 0.534 528 D N 2.466 122.820 120.400 -0.076 0.000 2.481 528 D HA 0.190 4.829 4.640 -0.001 0.000 0.246 528 D C 0.145 176.392 176.300 -0.088 0.000 1.109 528 D CA -0.440 53.539 54.000 -0.035 0.000 0.845 528 D CB 1.864 42.752 40.800 0.146 0.000 1.160 528 D HN 0.267 nan 8.370 nan 0.000 0.534 529 S N 2.708 118.329 115.700 -0.133 0.000 2.489 529 S HA 0.006 4.476 4.470 -0.001 0.000 0.228 529 S C 1.391 175.954 174.600 -0.063 0.000 0.995 529 S CA 0.572 58.689 58.200 -0.138 0.000 0.934 529 S CB 0.361 63.472 63.200 -0.149 0.000 0.771 529 S HN 0.493 nan 8.310 nan 0.000 0.522 530 R N -0.559 119.937 120.500 -0.006 0.000 2.508 530 R HA 0.228 4.567 4.340 -0.001 0.000 0.300 530 R C -0.634 175.744 176.300 0.129 0.000 0.970 530 R CA -0.104 56.018 56.100 0.037 0.000 1.102 530 R CB 0.708 31.031 30.300 0.038 0.000 1.246 530 R HN 0.340 nan 8.270 nan 0.000 0.539 531 W N 1.209 122.464 121.300 -0.075 0.000 3.405 531 W HA 0.277 4.937 4.660 -0.001 0.000 0.329 531 W C -2.905 173.570 176.519 -0.073 0.000 1.142 531 W CA -1.975 55.311 57.345 -0.099 0.000 1.235 531 W CB 1.810 31.192 29.460 -0.130 0.000 1.341 531 W HN -0.180 nan 8.180 nan 0.000 0.481 532 P HA 0.088 nan 4.420 nan 0.000 0.226 532 P C 0.353 177.262 177.300 -0.651 0.000 1.153 532 P CA 1.685 63.938 63.100 -1.412 0.000 0.777 532 P CB 0.308 31.449 31.700 -0.931 0.000 0.794 533 G N -0.988 107.621 108.800 -0.319 0.000 2.674 533 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.686 533 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.686 533 G C -0.435 174.402 174.900 -0.105 0.000 1.195 533 G CA -0.488 44.517 45.100 -0.158 0.000 0.776 533 G HN 0.115 nan 8.290 nan 0.000 0.654 534 S N 0.190 115.872 115.700 -0.031 0.000 2.549 534 S HA 0.529 4.998 4.470 -0.001 0.000 0.286 534 S C 1.875 176.477 174.600 0.003 0.000 1.314 534 S CA 1.991 60.207 58.200 0.027 0.000 1.062 534 S CB 0.421 63.679 63.200 0.096 0.000 0.865 534 S HN 2.717 nan 8.310 nan 0.000 0.498 535 G N 2.712 111.517 108.800 0.008 0.000 2.205 535 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.261 535 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.261 535 G C 0.625 175.499 174.900 -0.043 0.000 0.980 535 G CA 0.410 45.504 45.100 -0.010 0.000 0.632 535 G HN 0.894 nan 8.290 nan 0.000 0.533 536 V N -0.232 119.637 119.914 -0.076 0.000 2.690 536 V HA 0.443 4.562 4.120 -0.001 0.000 0.240 536 V C 0.749 176.777 176.094 -0.111 0.000 1.078 536 V CA 1.805 64.040 62.300 -0.109 0.000 1.102 536 V CB 0.971 32.687 31.823 -0.178 0.000 0.800 536 V HN 0.579 nan 8.190 nan 0.000 0.479 537 E N 0.165 120.295 120.200 -0.116 0.000 2.347 537 E HA 0.166 4.515 4.350 -0.001 0.000 0.285 537 E C -1.864 174.705 176.600 -0.052 0.000 0.925 537 E CA -0.549 55.796 56.400 -0.092 0.000 0.779 537 E CB 1.808 31.427 29.700 -0.136 0.000 1.233 537 E HN 0.132 nan 8.360 nan 0.000 0.414 538 D N 2.775 123.167 120.400 -0.013 0.000 2.422 538 D HA 0.115 4.755 4.640 -0.001 0.000 0.227 538 D C 0.268 176.575 176.300 0.012 0.000 1.190 538 D CA 0.240 54.255 54.000 0.025 0.000 0.905 538 D CB 0.737 41.562 40.800 0.041 0.000 1.034 538 D HN 0.404 nan 8.370 nan 0.000 0.507 539 S N 2.717 118.414 115.700 -0.004 0.000 2.604 539 S HA 0.199 4.669 4.470 -0.001 0.000 0.235 539 S C 0.830 175.427 174.600 -0.005 0.000 1.043 539 S CA -0.502 57.691 58.200 -0.012 0.000 0.997 539 S CB 0.487 63.662 63.200 -0.040 0.000 0.956 539 S HN 0.233 nan 8.310 nan 0.000 0.535 540 R N 2.794 123.284 120.500 -0.016 0.000 2.491 540 R HA 0.366 4.705 4.340 -0.001 0.000 0.283 540 R C 0.320 176.640 176.300 0.034 0.000 1.072 540 R CA 0.409 56.472 56.100 -0.060 0.000 1.048 540 R CB 0.742 30.874 30.300 -0.280 0.000 0.983 540 R HN 0.497 nan 8.270 nan 0.000 0.450 541 T N -0.384 114.198 114.554 0.047 0.000 2.913 541 T HA 0.201 4.551 4.350 -0.001 0.000 0.287 541 T C 0.227 175.028 174.700 0.170 0.000 1.008 541 T CA -0.624 61.536 62.100 0.100 0.000 1.067 541 T CB 1.477 70.393 68.868 0.081 0.000 0.996 541 T HN 0.356 nan 8.240 nan 0.000 0.513 542 T N 3.592 118.262 114.554 0.193 0.000 2.845 542 T HA 0.416 4.766 4.350 -0.001 0.000 0.288 542 T C 0.357 175.170 174.700 0.187 0.000 0.980 542 T CA -0.492 61.752 62.100 0.239 0.000 1.071 542 T CB 0.246 69.220 68.868 0.176 0.000 0.941 542 T HN 0.577 nan 8.240 nan 0.000 0.487 543 I N 4.029 124.727 120.570 0.215 0.000 2.436 543 I HA 0.214 4.383 4.170 -0.001 0.000 0.289 543 I C 0.154 176.362 176.117 0.153 0.000 1.083 543 I CA -0.051 61.354 61.300 0.174 0.000 1.372 543 I CB 0.304 38.410 38.000 0.178 0.000 1.408 543 I HN 0.442 nan 8.210 nan 0.000 0.516 544 I N 8.133 128.778 120.570 0.124 0.000 2.297 544 I HA 0.308 4.477 4.170 -0.001 0.000 0.291 544 I C -0.189 175.993 176.117 0.107 0.000 1.033 544 I CA -0.220 61.145 61.300 0.109 0.000 1.253 544 I CB 0.523 38.575 38.000 0.086 0.000 1.396 544 I HN 0.387 nan 8.210 nan 0.000 0.476 545 L N 5.791 127.082 121.223 0.113 0.000 2.333 545 L HA 0.940 5.279 4.340 -0.001 0.000 0.269 545 L C 0.175 177.105 176.870 0.100 0.000 1.010 545 L CA -0.659 54.247 54.840 0.109 0.000 0.818 545 L CB 2.165 44.295 42.059 0.118 0.000 1.306 545 L HN 0.668 nan 8.230 nan 0.000 0.430 546 G N -0.103 108.751 108.800 0.090 0.000 2.596 546 G HA2 0.122 4.081 3.960 -0.001 0.000 0.296 546 G HA3 0.122 4.081 3.960 -0.001 0.000 0.296 546 G C -0.212 174.731 174.900 0.071 0.000 1.513 546 G CA -0.449 44.701 45.100 0.083 0.000 0.851 546 G HN 0.664 nan 8.290 nan 0.000 0.548 547 E N -0.156 120.083 120.200 0.065 0.000 2.160 547 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 547 E C 0.670 177.298 176.600 0.047 0.000 0.991 547 E CA 1.324 57.756 56.400 0.053 0.000 0.810 547 E CB 0.170 29.896 29.700 0.044 0.000 0.742 547 E HN 0.467 nan 8.360 nan 0.000 0.466 548 D N -0.288 120.140 120.400 0.047 0.000 2.358 548 D HA 0.094 4.734 4.640 -0.001 0.000 0.224 548 D C 1.209 177.536 176.300 0.044 0.000 1.123 548 D CA 0.160 54.184 54.000 0.041 0.000 0.833 548 D CB 0.839 41.660 40.800 0.036 0.000 0.946 548 D HN 0.321 nan 8.370 nan 0.000 0.505 549 I N -0.804 119.797 120.570 0.052 0.000 4.676 549 I HA 0.110 4.279 4.170 -0.001 0.000 0.306 549 I C -1.384 174.771 176.117 0.064 0.000 1.178 549 I CA 0.088 61.421 61.300 0.054 0.000 1.335 549 I CB 1.259 39.292 38.000 0.055 0.000 1.541 549 I HN -0.169 nan 8.210 nan 0.000 0.469 550 L N 2.136 123.403 121.223 0.072 0.000 2.795 550 L HA 0.464 4.803 4.340 -0.001 0.000 0.260 550 L C -2.582 174.342 176.870 0.089 0.000 0.935 550 L CA -0.753 54.138 54.840 0.085 0.000 0.985 550 L CB 1.742 43.859 42.059 0.097 0.000 1.433 550 L HN -0.188 nan 8.230 nan 0.000 0.447 551 P HA 0.109 nan 4.420 nan 0.000 0.230 551 P C -0.212 177.142 177.300 0.090 0.000 1.168 551 P CA 0.724 63.873 63.100 0.082 0.000 0.793 551 P CB 0.469 32.210 31.700 0.067 0.000 0.851 552 S N -2.004 113.761 115.700 0.108 0.000 2.625 552 S HA 0.736 5.205 4.470 -0.001 0.000 0.271 552 S C -1.324 173.375 174.600 0.166 0.000 1.161 552 S CA -0.694 57.574 58.200 0.112 0.000 0.820 552 S CB 2.431 65.683 63.200 0.087 0.000 1.137 552 S HN -0.112 nan 8.310 nan 0.000 0.470 553 K N 0.416 120.917 120.400 0.169 0.000 2.550 553 K HA 0.574 4.894 4.320 -0.001 0.000 0.252 553 K C -2.106 174.649 176.600 0.259 0.000 0.943 553 K CA -0.214 56.224 56.287 0.251 0.000 0.806 553 K CB 0.993 33.604 32.500 0.185 0.000 1.289 553 K HN 0.853 nan 8.250 nan 0.000 0.435 554 H N 0.711 119.939 119.070 0.263 0.000 2.525 554 H HA 0.533 5.089 4.556 -0.001 0.000 0.339 554 H C -0.275 175.291 175.328 0.397 0.000 1.109 554 H CA -0.128 56.120 56.048 0.333 0.000 1.352 554 H CB 1.193 31.244 29.762 0.482 0.000 1.461 554 H HN 0.399 nan 8.280 nan 0.000 0.533 555 V N 0.722 120.906 119.914 0.450 0.000 2.962 555 V HA 0.793 4.912 4.120 -0.001 0.000 0.313 555 V C -0.787 175.654 176.094 0.578 0.000 1.099 555 V CA -0.856 61.700 62.300 0.428 0.000 0.971 555 V CB 2.053 33.878 31.823 0.003 0.000 1.028 555 V HN 0.477 nan 8.190 nan 0.000 0.430 556 V N 3.639 123.916 119.914 0.604 0.000 2.760 556 V HA 0.644 4.763 4.120 -0.001 0.000 0.309 556 V C -0.579 175.866 176.094 0.585 0.000 1.077 556 V CA -0.380 62.236 62.300 0.526 0.000 0.910 556 V CB 1.989 33.974 31.823 0.269 0.000 1.008 556 V HN 0.948 nan 8.190 nan 0.000 0.424 557 M N 4.069 123.984 119.600 0.525 0.000 2.364 557 M HA 0.496 4.975 4.480 -0.001 0.000 0.334 557 M C -0.528 176.030 176.300 0.431 0.000 1.107 557 M CA -0.250 55.329 55.300 0.465 0.000 0.988 557 M CB 1.229 34.048 32.600 0.365 0.000 1.673 557 M HN 0.765 nan 8.290 nan 0.000 0.441 558 H N 1.966 121.239 119.070 0.339 0.000 2.492 558 H HA 0.506 5.062 4.556 -0.001 0.000 0.345 558 H C -1.357 174.082 175.328 0.185 0.000 1.136 558 H CA -0.610 55.600 56.048 0.270 0.000 1.202 558 H CB 1.230 31.212 29.762 0.367 0.000 1.524 558 H HN 0.662 nan 8.280 nan 0.000 0.506 559 N N 3.027 121.478 118.700 -0.415 0.000 2.524 559 N HA 0.039 4.779 4.740 -0.001 0.000 0.261 559 N C 0.286 175.447 175.510 -0.583 0.000 0.998 559 N CA -0.322 52.499 53.050 -0.380 0.000 0.915 559 N CB 1.647 40.020 38.487 -0.191 0.000 1.187 559 N HN 0.640 nan 8.380 nan 0.000 0.507 560 T N 2.929 117.198 114.554 -0.475 0.000 3.035 560 T HA 0.158 4.507 4.350 -0.001 0.000 0.268 560 T C 0.688 175.354 174.700 -0.057 0.000 1.109 560 T CA 0.487 62.479 62.100 -0.181 0.000 1.119 560 T CB -0.248 68.670 68.868 0.084 0.000 0.900 560 T HN 0.427 nan 8.240 nan 0.000 0.503 561 L N 2.901 124.038 121.223 -0.143 0.000 2.397 561 L HA 0.297 4.636 4.340 -0.001 0.000 0.271 561 L C -1.561 175.179 176.870 -0.217 0.000 1.148 561 L CA -1.850 52.875 54.840 -0.191 0.000 0.825 561 L CB 0.587 42.398 42.059 -0.414 0.000 1.117 561 L HN -0.027 nan 8.230 nan 0.000 0.456 562 P HA 0.025 nan 4.420 nan 0.000 0.254 562 P C -0.929 176.408 177.300 0.062 0.000 1.631 562 P CA 0.397 63.501 63.100 0.008 0.000 0.861 562 P CB -0.374 31.385 31.700 0.099 0.000 1.663 563 H N -3.335 115.753 119.070 0.029 0.000 3.012 563 H HA 0.212 4.767 4.556 -0.001 0.000 0.367 563 H C -0.947 174.407 175.328 0.043 0.000 1.211 563 H CA -1.076 55.012 56.048 0.066 0.000 1.139 563 H CB -0.131 29.705 29.762 0.123 0.000 1.838 563 H HN -0.123 nan 8.280 nan 0.000 0.550 564 W N 1.882 123.296 121.300 0.189 0.000 2.391 564 W HA 0.141 4.800 4.660 -0.001 0.000 0.339 564 W C 0.965 177.589 176.519 0.175 0.000 1.252 564 W CA 0.607 58.027 57.345 0.125 0.000 1.304 564 W CB 0.401 29.920 29.460 0.097 0.000 1.179 564 W HN 0.561 nan 8.180 nan 0.000 0.567 565 R N 2.253 122.958 120.500 0.342 0.000 2.604 565 R HA 0.319 4.658 4.340 -0.001 0.000 0.281 565 R C -1.145 175.288 176.300 0.222 0.000 1.020 565 R CA -0.683 55.573 56.100 0.259 0.000 0.899 565 R CB 1.471 31.842 30.300 0.118 0.000 1.205 565 R HN 0.514 nan 8.270 nan 0.000 0.450 566 E N 2.236 122.544 120.200 0.181 0.000 2.207 566 E HA 0.296 4.646 4.350 -0.001 0.000 0.270 566 E C -1.323 175.324 176.600 0.079 0.000 0.927 566 E CA -0.853 55.630 56.400 0.138 0.000 0.799 566 E CB 2.432 32.206 29.700 0.124 0.000 1.172 566 E HN 0.425 nan 8.360 nan 0.000 0.404 567 Q N 2.569 122.392 119.800 0.038 0.000 2.438 567 Q HA 0.233 4.573 4.340 -0.001 0.000 0.272 567 Q C -1.628 174.331 176.000 -0.068 0.000 0.994 567 Q CA -0.556 55.241 55.803 -0.009 0.000 0.887 567 Q CB 1.353 30.076 28.738 -0.025 0.000 1.432 567 Q HN 0.545 nan 8.270 nan 0.000 0.392 568 L N 3.201 124.379 121.223 -0.075 0.000 2.416 568 L HA 0.385 4.724 4.340 -0.001 0.000 0.272 568 L C 0.204 176.937 176.870 -0.227 0.000 1.161 568 L CA -0.392 54.366 54.840 -0.138 0.000 0.845 568 L CB 0.715 42.730 42.059 -0.073 0.000 1.119 568 L HN 0.483 nan 8.230 nan 0.000 0.464 569 V N -0.472 119.198 119.914 -0.407 0.000 2.769 569 V HA 0.678 4.797 4.120 -0.001 0.000 0.312 569 V C -0.843 174.972 176.094 -0.464 0.000 1.061 569 V CA -0.856 61.164 62.300 -0.468 0.000 0.931 569 V CB 2.090 33.584 31.823 -0.548 0.000 1.010 569 V HN 0.790 nan 8.190 nan 0.000 0.433 570 D N 1.867 121.996 120.400 -0.452 0.000 2.527 570 D HA 0.654 5.293 4.640 -0.001 0.000 0.233 570 D C -1.324 174.679 176.300 -0.494 0.000 1.063 570 D CA -0.438 53.406 54.000 -0.260 0.000 0.880 570 D CB 2.477 43.230 40.800 -0.079 0.000 1.457 570 D HN 0.442 nan 8.370 nan 0.000 0.475 571 F N -0.368 119.644 119.950 0.104 0.000 2.613 571 F HA 0.345 4.872 4.527 -0.001 0.000 0.314 571 F C -0.597 175.362 175.800 0.265 0.000 1.075 571 F CA -1.040 57.028 58.000 0.113 0.000 0.945 571 F CB 1.498 40.608 39.000 0.184 0.000 1.310 571 F HN 0.153 nan 8.300 nan 0.000 0.467 572 Y N 1.868 122.329 120.300 0.269 0.000 2.304 572 Y HA 0.592 5.142 4.550 -0.001 0.000 0.328 572 Y C 0.182 176.209 175.900 0.212 0.000 1.123 572 Y CA -1.503 56.706 58.100 0.182 0.000 1.218 572 Y CB 1.052 39.572 38.460 0.100 0.000 1.207 572 Y HN 0.350 nan 8.280 nan 0.000 0.495 573 V N -0.597 119.526 119.914 0.349 0.000 3.078 573 V HA 0.551 4.671 4.120 -0.001 0.000 0.311 573 V C 0.308 176.545 176.094 0.239 0.000 1.138 573 V CA -0.781 61.684 62.300 0.275 0.000 1.007 573 V CB 1.669 33.652 31.823 0.266 0.000 1.045 573 V HN 0.671 nan 8.190 nan 0.000 0.432 574 S N 0.129 115.949 115.700 0.200 0.000 2.631 574 S HA 0.289 4.759 4.470 -0.001 0.000 0.217 574 S C 0.615 175.359 174.600 0.240 0.000 0.958 574 S CA 0.466 58.773 58.200 0.179 0.000 0.920 574 S CB -0.361 62.914 63.200 0.125 0.000 0.776 574 S HN 1.613 nan 8.310 nan 0.000 0.517 575 S N 1.122 116.969 115.700 0.246 0.000 2.537 575 S HA 0.550 5.019 4.470 -0.001 0.000 0.270 575 S C -2.692 171.851 174.600 -0.094 0.000 1.142 575 S CA -1.203 57.039 58.200 0.071 0.000 0.870 575 S CB 1.950 65.200 63.200 0.083 0.000 1.112 575 S HN 0.016 nan 8.310 nan 0.000 0.466 576 P HA 0.207 nan 4.420 nan 0.000 0.240 576 P C -0.202 176.983 177.300 -0.192 0.000 1.190 576 P CA 0.258 63.014 63.100 -0.573 0.000 0.781 576 P CB -0.149 30.869 31.700 -1.136 0.000 0.931 577 F N 0.977 120.940 119.950 0.022 0.000 2.467 577 F HA 0.270 4.796 4.527 -0.001 0.000 0.349 577 F C 0.487 176.331 175.800 0.074 0.000 1.182 577 F CA -1.008 57.035 58.000 0.071 0.000 1.279 577 F CB -0.001 39.005 39.000 0.009 0.000 1.626 577 F HN -0.328 nan 8.300 nan 0.000 0.596 578 V N 1.117 121.174 119.914 0.238 0.000 2.709 578 V HA 0.675 4.794 4.120 -0.001 0.000 0.308 578 V C -0.323 175.841 176.094 0.116 0.000 1.062 578 V CA -0.836 61.558 62.300 0.158 0.000 0.901 578 V CB 2.337 34.247 31.823 0.146 0.000 1.003 578 V HN 0.522 nan 8.190 nan 0.000 0.425 579 S N 3.000 118.748 115.700 0.080 0.000 2.599 579 S HA 0.907 5.376 4.470 -0.001 0.000 0.294 579 S C -1.003 173.584 174.600 -0.022 0.000 1.094 579 S CA -0.804 57.425 58.200 0.047 0.000 0.931 579 S CB 2.115 65.359 63.200 0.074 0.000 1.093 579 S HN 0.456 nan 8.310 nan 0.000 0.488 580 V N 1.691 121.554 119.914 -0.085 0.000 2.628 580 V HA 0.836 4.955 4.120 -0.001 0.000 0.306 580 V C 0.007 176.009 176.094 -0.154 0.000 1.045 580 V CA -0.453 61.718 62.300 -0.215 0.000 0.905 580 V CB 1.682 33.175 31.823 -0.549 0.000 0.997 580 V HN 1.225 nan 8.190 nan 0.000 0.436 581 T N -0.656 113.827 114.554 -0.119 0.000 2.896 581 T HA 0.662 5.011 4.350 -0.001 0.000 0.297 581 T C -0.896 173.778 174.700 -0.044 0.000 1.108 581 T CA -0.892 61.160 62.100 -0.081 0.000 1.004 581 T CB 2.136 70.951 68.868 -0.089 0.000 1.159 581 T HN 0.719 nan 8.240 nan 0.000 0.499 582 D N 0.667 121.017 120.400 -0.083 0.000 2.511 582 D HA 0.263 4.902 4.640 -0.001 0.000 0.276 582 D C 0.968 177.132 176.300 -0.227 0.000 1.220 582 D CA -1.183 52.661 54.000 -0.260 0.000 1.077 582 D CB 0.239 40.889 40.800 -0.251 0.000 1.126 582 D HN 0.324 nan 8.370 nan 0.000 0.583 583 L N -0.643 120.431 121.223 -0.249 0.000 2.552 583 L HA 0.250 4.590 4.340 -0.001 0.000 0.227 583 L C 1.826 178.621 176.870 -0.125 0.000 1.146 583 L CA 0.793 55.531 54.840 -0.171 0.000 0.858 583 L CB -0.891 41.077 42.059 -0.151 0.000 0.969 583 L HN 0.626 nan 8.230 nan 0.000 0.451 584 A N -1.062 121.688 122.820 -0.115 0.000 2.337 584 A HA 0.102 4.421 4.320 -0.001 0.000 0.227 584 A C 1.189 178.726 177.584 -0.078 0.000 1.259 584 A CA 0.399 52.385 52.037 -0.085 0.000 0.870 584 A CB -0.562 18.394 19.000 -0.074 0.000 0.927 584 A HN 0.490 nan 8.150 nan 0.000 0.497 585 N N -0.049 118.597 118.700 -0.090 0.000 2.741 585 N HA -0.142 4.598 4.740 -0.001 0.000 0.251 585 N C -0.975 174.489 175.510 -0.076 0.000 1.112 585 N CA 0.856 53.859 53.050 -0.078 0.000 0.750 585 N CB -1.903 36.548 38.487 -0.060 0.000 1.119 585 N HN 0.572 nan 8.380 nan 0.000 0.561 586 N N 1.364 120.015 118.700 -0.081 0.000 2.520 586 N HA 0.231 4.971 4.740 -0.001 0.000 0.273 586 N C -2.417 173.024 175.510 -0.116 0.000 1.155 586 N CA -0.685 52.313 53.050 -0.087 0.000 0.967 586 N CB 0.559 39.005 38.487 -0.069 0.000 1.092 586 N HN 0.273 nan 8.380 nan 0.000 0.457 587 P HA 0.075 nan 4.420 nan 0.000 0.271 587 P C -0.473 176.680 177.300 -0.245 0.000 1.218 587 P CA -0.120 62.796 63.100 -0.307 0.000 0.780 587 P CB 0.867 32.125 31.700 -0.737 0.000 0.901 588 V N 2.402 122.216 119.914 -0.168 0.000 2.487 588 V HA 0.208 4.327 4.120 -0.001 0.000 0.298 588 V C 0.559 176.635 176.094 -0.031 0.000 1.028 588 V CA -0.812 61.447 62.300 -0.069 0.000 0.860 588 V CB 1.460 33.249 31.823 -0.056 0.000 0.991 588 V HN 0.554 nan 8.190 nan 0.000 0.427 589 E N 2.720 122.943 120.200 0.039 0.000 2.415 589 E HA 0.445 4.794 4.350 -0.001 0.000 0.263 589 E C -0.212 176.457 176.600 0.114 0.000 0.995 589 E CA 0.085 56.544 56.400 0.099 0.000 0.915 589 E CB 0.906 30.670 29.700 0.107 0.000 0.951 589 E HN 0.871 nan 8.360 nan 0.000 0.449 590 A N 4.334 127.212 122.820 0.097 0.000 2.515 590 A HA 0.434 4.754 4.320 -0.001 0.000 0.296 590 A C -1.234 176.373 177.584 0.038 0.000 1.094 590 A CA -0.692 51.414 52.037 0.115 0.000 0.718 590 A CB 1.954 21.014 19.000 0.100 0.000 1.307 590 A HN 0.650 nan 8.150 nan 0.000 0.408 591 Q N 0.851 120.682 119.800 0.051 0.000 2.347 591 Q HA 0.654 4.994 4.340 -0.001 0.000 0.271 591 Q C -2.055 173.945 176.000 -0.000 0.000 1.064 591 Q CA -0.542 55.248 55.803 -0.021 0.000 0.800 591 Q CB 2.210 30.972 28.738 0.041 0.000 1.304 591 Q HN 0.572 nan 8.270 nan 0.000 0.438 592 V N 2.564 122.413 119.914 -0.108 0.000 2.513 592 V HA 0.598 4.718 4.120 -0.001 0.000 0.299 592 V C -0.553 175.720 176.094 0.297 0.000 1.035 592 V CA -0.293 62.053 62.300 0.076 0.000 0.889 592 V CB 1.904 33.723 31.823 -0.006 0.000 0.988 592 V HN 0.863 nan 8.190 nan 0.000 0.440 593 S N 4.943 120.862 115.700 0.366 0.000 2.632 593 S HA 0.697 5.166 4.470 -0.001 0.000 0.289 593 S C -2.766 171.940 174.600 0.176 0.000 1.115 593 S CA -1.136 57.271 58.200 0.345 0.000 0.889 593 S CB 2.493 65.832 63.200 0.231 0.000 1.116 593 S HN 0.526 nan 8.310 nan 0.000 0.486 594 P HA 0.316 nan 4.420 nan 0.000 0.277 594 P C -1.231 175.742 177.300 -0.545 0.000 1.271 594 P CA -0.538 62.184 63.100 -0.630 0.000 0.795 594 P CB 0.424 31.322 31.700 -1.337 0.000 1.101 595 V N 1.363 120.870 119.914 -0.678 0.000 2.333 595 V HA 0.228 4.348 4.120 -0.001 0.000 0.274 595 V C -0.705 175.085 176.094 -0.508 0.000 1.028 595 V CA -0.226 61.773 62.300 -0.502 0.000 0.851 595 V CB -0.176 31.259 31.823 -0.646 0.000 1.000 595 V HN 0.517 nan 8.190 nan 0.000 0.456 596 W N 2.927 124.135 121.300 -0.153 0.000 2.433 596 W HA 0.617 5.277 4.660 -0.001 0.000 0.315 596 W C 0.324 176.759 176.519 -0.140 0.000 1.087 596 W CA -0.362 56.873 57.345 -0.183 0.000 1.205 596 W CB 1.716 31.066 29.460 -0.184 0.000 1.288 596 W HN 0.402 nan 8.180 nan 0.000 0.504 597 S N 1.962 117.696 115.700 0.057 0.000 2.482 597 S HA 0.421 4.891 4.470 -0.001 0.000 0.303 597 S C -1.345 173.054 174.600 -0.335 0.000 1.091 597 S CA -0.762 57.410 58.200 -0.048 0.000 1.057 597 S CB 0.873 64.099 63.200 0.043 0.000 1.031 597 S HN 0.335 nan 8.310 nan 0.000 0.485 598 W N 2.521 123.577 121.300 -0.407 0.000 2.417 598 W HA 0.472 5.132 4.660 -0.001 0.000 0.317 598 W C 0.380 176.410 176.519 -0.815 0.000 1.121 598 W CA -0.278 56.787 57.345 -0.466 0.000 1.208 598 W CB 0.658 29.978 29.460 -0.234 0.000 1.253 598 W HN 0.552 nan 8.180 nan 0.000 0.533 599 H N 1.370 120.455 119.070 0.024 0.000 2.589 599 H HA 0.113 4.668 4.556 -0.001 0.000 0.351 599 H C -1.046 174.281 175.328 -0.001 0.000 1.074 599 H CA -1.054 54.971 56.048 -0.039 0.000 1.203 599 H CB 1.668 31.312 29.762 -0.196 0.000 1.558 599 H HN 0.431 nan 8.280 nan 0.000 0.522 600 H N 2.309 121.456 119.070 0.128 0.000 2.911 600 H HA 0.050 4.605 4.556 -0.001 0.000 0.273 600 H C -0.424 174.989 175.328 0.142 0.000 1.157 600 H CA -0.313 55.809 56.048 0.124 0.000 1.402 600 H CB 0.215 30.025 29.762 0.081 0.000 1.463 600 H HN 0.409 nan 8.280 nan 0.000 0.475 601 D N 3.739 123.950 120.400 -0.315 0.000 2.344 601 D HA -0.047 4.592 4.640 -0.001 0.000 0.253 601 D C 0.978 177.126 176.300 -0.255 0.000 1.255 601 D CA 0.190 54.124 54.000 -0.111 0.000 0.894 601 D CB 0.719 41.622 40.800 0.172 0.000 1.067 601 D HN 0.787 nan 8.370 nan 0.000 0.492 602 T N 1.462 115.971 114.554 -0.075 0.000 3.072 602 T HA -0.076 4.273 4.350 -0.001 0.000 0.266 602 T C 1.790 176.502 174.700 0.020 0.000 1.127 602 T CA 0.095 62.213 62.100 0.031 0.000 1.107 602 T CB 0.213 69.146 68.868 0.108 0.000 0.910 602 T HN 0.250 nan 8.240 nan 0.000 0.513 603 L N 2.286 123.508 121.223 -0.002 0.000 2.071 603 L HA 0.098 4.437 4.340 -0.001 0.000 0.201 603 L C 2.994 179.857 176.870 -0.011 0.000 1.076 603 L CA 2.205 57.045 54.840 -0.000 0.000 0.755 603 L CB -1.788 40.269 42.059 -0.002 0.000 0.915 603 L HN 0.532 nan 8.230 nan 0.000 0.445 604 T N -3.704 110.832 114.554 -0.030 0.000 3.113 604 T HA -0.019 4.330 4.350 -0.001 0.000 0.256 604 T C 0.750 175.431 174.700 -0.031 0.000 1.131 604 T CA -0.153 61.922 62.100 -0.043 0.000 1.074 604 T CB 0.021 68.836 68.868 -0.089 0.000 0.944 604 T HN 0.121 nan 8.240 nan 0.000 0.516 605 K N 2.074 122.451 120.400 -0.038 0.000 3.150 605 K HA -0.124 4.196 4.320 -0.001 0.000 0.267 605 K C 0.048 176.654 176.600 0.010 0.000 1.028 605 K CA 1.245 57.533 56.287 0.001 0.000 0.753 605 K CB -2.778 29.758 32.500 0.059 0.000 1.288 605 K HN 0.885 nan 8.250 nan 0.000 0.473 606 T N -2.798 111.729 114.554 -0.046 0.000 2.896 606 T HA 0.801 5.150 4.350 -0.001 0.000 0.297 606 T C 0.237 175.014 174.700 0.128 0.000 1.108 606 T CA -1.047 61.089 62.100 0.060 0.000 1.004 606 T CB 2.288 71.174 68.868 0.030 0.000 1.159 606 T HN 0.142 nan 8.240 nan 0.000 0.499 607 I N 2.899 123.614 120.570 0.243 0.000 2.355 607 I HA 0.536 4.705 4.170 -0.001 0.000 0.288 607 I C -0.260 176.138 176.117 0.469 0.000 0.999 607 I CA -0.691 60.799 61.300 0.317 0.000 1.163 607 I CB 0.766 38.935 38.000 0.283 0.000 1.316 607 I HN 0.953 nan 8.210 nan 0.000 0.454 608 H N 5.975 125.179 119.070 0.224 0.000 3.016 608 H HA 0.659 5.214 4.556 -0.001 0.000 0.362 608 H C -3.179 171.928 175.328 -0.368 0.000 1.233 608 H CA -2.210 53.828 56.048 -0.017 0.000 1.124 608 H CB 2.023 31.768 29.762 -0.027 0.000 1.850 608 H HN 0.165 nan 8.280 nan 0.000 0.549 609 P HA 0.207 nan 4.420 nan 0.000 0.290 609 P C -1.106 176.052 177.300 -0.237 0.000 1.275 609 P CA -0.683 61.851 63.100 -0.943 0.000 0.841 609 P CB 2.042 32.797 31.700 -1.575 0.000 1.042 610 Q N 0.884 120.676 119.800 -0.014 0.000 2.337 610 Q HA 0.548 4.888 4.340 -0.001 0.000 0.266 610 Q C 0.177 176.250 176.000 0.122 0.000 1.023 610 Q CA -0.567 55.320 55.803 0.141 0.000 0.829 610 Q CB 2.740 31.549 28.738 0.118 0.000 1.306 610 Q HN 0.597 nan 8.270 nan 0.000 0.449 611 G N 0.719 109.479 108.800 -0.066 0.000 2.367 611 G HA2 0.319 4.278 3.960 -0.001 0.000 0.314 611 G HA3 0.319 4.278 3.960 -0.001 0.000 0.314 611 G C -0.304 174.342 174.900 -0.425 0.000 1.130 611 G CA -0.323 44.412 45.100 -0.608 0.000 0.864 611 G HN 0.429 nan 8.290 nan 0.000 0.486 612 S N -0.342 115.049 115.700 -0.515 0.000 2.564 612 S HA 0.301 4.770 4.470 -0.001 0.000 0.278 612 S C 1.536 175.874 174.600 -0.437 0.000 1.333 612 S CA 0.247 58.188 58.200 -0.433 0.000 1.048 612 S CB 0.741 63.626 63.200 -0.526 0.000 0.900 612 S HN 0.877 nan 8.310 nan 0.000 0.505 613 T N 0.163 114.549 114.554 -0.280 0.000 3.069 613 T HA 0.152 4.502 4.350 -0.001 0.000 0.252 613 T C 1.128 175.759 174.700 -0.115 0.000 1.053 613 T CA 0.442 62.448 62.100 -0.157 0.000 0.964 613 T CB -0.210 68.618 68.868 -0.066 0.000 1.005 613 T HN 0.707 nan 8.240 nan 0.000 0.532 614 T N -1.655 112.739 114.554 -0.267 0.000 2.969 614 T HA 0.369 4.718 4.350 -0.001 0.000 0.258 614 T C 0.264 174.776 174.700 -0.313 0.000 0.962 614 T CA -0.511 61.485 62.100 -0.172 0.000 0.903 614 T CB 0.261 69.069 68.868 -0.100 0.000 1.177 614 T HN 0.339 nan 8.240 nan 0.000 0.511 615 K N 0.516 120.512 120.400 -0.673 0.000 2.375 615 K HA 0.690 5.009 4.320 -0.001 0.000 0.249 615 K C -1.848 174.083 176.600 -1.115 0.000 0.942 615 K CA -0.890 55.040 56.287 -0.595 0.000 0.806 615 K CB 2.165 34.373 32.500 -0.486 0.000 1.227 615 K HN 0.120 nan 8.250 nan 0.000 0.430 616 Y N -0.126 120.094 120.300 -0.133 0.000 2.609 616 Y HA 0.424 4.974 4.550 -0.001 0.000 0.342 616 Y C -0.302 175.610 175.900 0.020 0.000 1.058 616 Y CA -1.172 56.880 58.100 -0.079 0.000 1.055 616 Y CB 1.941 40.429 38.460 0.046 0.000 1.292 616 Y HN 0.257 nan 8.280 nan 0.000 0.476 617 R N 1.637 122.274 120.500 0.229 0.000 2.294 617 R HA 0.589 4.928 4.340 -0.001 0.000 0.319 617 R C -1.304 175.174 176.300 0.297 0.000 0.984 617 R CA -0.684 55.595 56.100 0.299 0.000 0.861 617 R CB 1.753 32.207 30.300 0.256 0.000 1.104 617 R HN 0.641 nan 8.270 nan 0.000 0.451 618 I N 4.148 124.916 120.570 0.329 0.000 2.412 618 I HA 0.440 4.609 4.170 -0.001 0.000 0.296 618 I C -1.036 175.269 176.117 0.313 0.000 0.987 618 I CA -0.696 60.786 61.300 0.305 0.000 1.180 618 I CB 1.039 39.234 38.000 0.326 0.000 1.340 618 I HN 0.540 nan 8.210 nan 0.000 0.455 619 I N 8.068 128.790 120.570 0.254 0.000 2.545 619 I HA 0.532 4.701 4.170 -0.001 0.000 0.292 619 I C -1.018 175.252 176.117 0.255 0.000 1.040 619 I CA -0.575 60.825 61.300 0.165 0.000 1.068 619 I CB 1.686 39.744 38.000 0.097 0.000 1.251 619 I HN 0.537 nan 8.210 nan 0.000 0.424 620 F N 2.623 122.598 119.950 0.042 0.000 2.713 620 F HA 0.564 5.091 4.527 -0.001 0.000 0.311 620 F C -1.041 174.739 175.800 -0.032 0.000 1.141 620 F CA -1.324 56.677 58.000 0.002 0.000 0.939 620 F CB 1.305 40.292 39.000 -0.021 0.000 1.325 620 F HN 0.224 nan 8.300 nan 0.000 0.453 621 K N 1.940 122.446 120.400 0.177 0.000 2.285 621 K HA 0.733 5.052 4.320 -0.001 0.000 0.286 621 K C -0.660 175.988 176.600 0.081 0.000 1.072 621 K CA -0.309 56.011 56.287 0.055 0.000 0.913 621 K CB 0.809 33.370 32.500 0.102 0.000 1.067 621 K HN 0.940 nan 8.250 nan 0.000 0.479 622 A N 4.584 127.358 122.820 -0.076 0.000 2.303 622 A HA 0.451 4.770 4.320 -0.001 0.000 0.317 622 A C -0.706 177.006 177.584 0.212 0.000 1.149 622 A CA -0.724 51.330 52.037 0.028 0.000 0.822 622 A CB 0.757 19.737 19.000 -0.034 0.000 1.131 622 A HN 0.879 nan 8.150 nan 0.000 0.493 623 R N 1.798 122.534 120.500 0.393 0.000 2.439 623 R HA 0.609 4.949 4.340 -0.001 0.000 0.310 623 R C -1.941 174.617 176.300 0.430 0.000 0.955 623 R CA -0.249 56.073 56.100 0.370 0.000 0.853 623 R CB 1.415 31.915 30.300 0.334 0.000 1.171 623 R HN 0.504 nan 8.270 nan 0.000 0.449 624 V N 5.950 126.069 119.914 0.343 0.000 2.656 624 V HA 0.476 4.595 4.120 -0.001 0.000 0.307 624 V C -2.282 173.701 176.094 -0.185 0.000 1.051 624 V CA -2.360 60.034 62.300 0.157 0.000 0.893 624 V CB 1.940 33.824 31.823 0.102 0.000 0.999 624 V HN 0.786 nan 8.190 nan 0.000 0.426 625 P HA 0.225 nan 4.420 nan 0.000 0.271 625 P C -2.738 174.057 177.300 -0.842 0.000 1.233 625 P CA -1.328 60.832 63.100 -1.566 0.000 0.789 625 P CB -0.242 30.742 31.700 -1.193 0.000 0.951 626 P HA 0.065 nan 4.420 nan 0.000 0.265 626 P C 0.169 177.409 177.300 -0.100 0.000 1.193 626 P CA 0.550 63.446 63.100 -0.339 0.000 0.765 626 P CB -0.199 31.379 31.700 -0.204 0.000 0.823 627 M N 0.106 119.702 119.600 -0.006 0.000 2.210 627 M HA -0.222 4.258 4.480 -0.001 0.000 0.198 627 M C 0.583 177.069 176.300 0.311 0.000 0.319 627 M CA 0.976 56.417 55.300 0.235 0.000 0.399 627 M CB -2.045 30.783 32.600 0.380 0.000 1.227 627 M HN 0.608 nan 8.290 nan 0.000 0.931 628 G N -0.221 108.610 108.800 0.052 0.000 3.086 628 G HA2 0.934 4.893 3.960 -0.001 0.000 0.282 628 G HA3 0.934 4.893 3.960 -0.001 0.000 0.282 628 G C -1.337 173.672 174.900 0.183 0.000 1.343 628 G CA -0.968 44.118 45.100 -0.022 0.000 0.895 628 G HN 0.195 nan 8.290 nan 0.000 0.557 629 L N -0.611 120.697 121.223 0.142 0.000 2.393 629 L HA 0.815 5.155 4.340 -0.001 0.000 0.260 629 L C -0.312 176.643 176.870 0.142 0.000 1.002 629 L CA -1.074 53.895 54.840 0.215 0.000 0.818 629 L CB 2.492 44.695 42.059 0.240 0.000 1.369 629 L HN 0.786 nan 8.230 nan 0.000 0.412 630 A N 0.596 123.543 122.820 0.212 0.000 2.427 630 A HA 0.777 5.096 4.320 -0.001 0.000 0.298 630 A C -0.820 176.894 177.584 0.217 0.000 1.036 630 A CA -0.437 51.703 52.037 0.171 0.000 0.701 630 A CB 1.733 20.888 19.000 0.259 0.000 1.250 630 A HN 0.550 nan 8.150 nan 0.000 0.412 631 T N 2.200 116.781 114.554 0.045 0.000 2.829 631 T HA 0.643 4.993 4.350 -0.001 0.000 0.282 631 T C -1.008 173.575 174.700 -0.196 0.000 0.990 631 T CA 0.298 62.469 62.100 0.118 0.000 1.028 631 T CB 0.302 69.250 68.868 0.133 0.000 0.951 631 T HN 0.432 nan 8.240 nan 0.000 0.460 632 Y N 0.332 120.729 120.300 0.163 0.000 2.602 632 Y HA 0.672 5.221 4.550 -0.001 0.000 0.342 632 Y C -0.316 175.519 175.900 -0.108 0.000 1.029 632 Y CA -1.173 56.933 58.100 0.011 0.000 1.080 632 Y CB 1.689 40.163 38.460 0.023 0.000 1.284 632 Y HN 0.299 nan 8.280 nan 0.000 0.485 633 V N 3.143 123.014 119.914 -0.073 0.000 2.588 633 V HA 0.443 4.563 4.120 -0.001 0.000 0.304 633 V C -0.810 175.223 176.094 -0.100 0.000 1.042 633 V CA -0.945 61.247 62.300 -0.180 0.000 0.877 633 V CB 1.755 33.397 31.823 -0.301 0.000 0.996 633 V HN 0.496 nan 8.190 nan 0.000 0.425 634 L N 3.925 125.116 121.223 -0.053 0.000 2.296 634 L HA 0.718 5.057 4.340 -0.001 0.000 0.286 634 L C -0.090 176.793 176.870 0.022 0.000 1.023 634 L CA -0.162 54.664 54.840 -0.023 0.000 0.812 634 L CB 1.851 43.914 42.059 0.007 0.000 1.223 634 L HN 0.588 nan 8.230 nan 0.000 0.421 635 T N 3.513 118.085 114.554 0.030 0.000 2.861 635 T HA 0.475 4.824 4.350 -0.001 0.000 0.287 635 T C -0.326 174.420 174.700 0.077 0.000 1.003 635 T CA -0.392 61.738 62.100 0.050 0.000 0.977 635 T CB 2.431 71.317 68.868 0.030 0.000 0.996 635 T HN 0.403 nan 8.240 nan 0.000 0.448 636 I N 2.866 123.491 120.570 0.091 0.000 2.612 636 I HA 0.582 4.752 4.170 -0.001 0.000 0.295 636 I C 0.125 176.302 176.117 0.099 0.000 1.011 636 I CA 0.084 61.454 61.300 0.117 0.000 1.326 636 I CB 0.809 38.883 38.000 0.123 0.000 1.427 636 I HN 0.822 nan 8.210 nan 0.000 0.537 637 S N 3.481 119.252 115.700 0.118 0.000 2.697 637 S HA 0.332 4.802 4.470 -0.001 0.000 0.289 637 S C -0.008 174.603 174.600 0.017 0.000 1.149 637 S CA -0.593 57.637 58.200 0.050 0.000 0.850 637 S CB 1.498 64.709 63.200 0.019 0.000 1.151 637 S HN 0.725 nan 8.310 nan 0.000 0.491 638 D N -0.121 120.237 120.400 -0.070 0.000 2.349 638 D HA 0.096 4.735 4.640 -0.001 0.000 0.215 638 D C 0.708 176.740 176.300 -0.446 0.000 1.016 638 D CA 0.499 54.421 54.000 -0.130 0.000 0.870 638 D CB -0.070 40.681 40.800 -0.082 0.000 0.917 638 D HN 0.588 nan 8.370 nan 0.000 0.524 639 S N -1.220 114.119 115.700 -0.602 0.000 2.752 639 S HA 0.348 4.817 4.470 -0.001 0.000 0.284 639 S C -0.777 173.367 174.600 -0.760 0.000 1.189 639 S CA -1.148 56.421 58.200 -1.050 0.000 0.835 639 S CB 1.495 64.376 63.200 -0.532 0.000 1.192 639 S HN -0.053 nan 8.310 nan 0.000 0.506 640 K N 2.299 122.378 120.400 -0.534 0.000 2.437 640 K HA 0.198 4.518 4.320 -0.001 0.000 0.277 640 K C -2.264 174.359 176.600 0.039 0.000 1.073 640 K CA -0.665 55.627 56.287 0.007 0.000 1.105 640 K CB -0.526 32.043 32.500 0.115 0.000 0.881 640 K HN 0.428 nan 8.250 nan 0.000 0.475 641 P HA -0.007 nan 4.420 nan 0.000 0.274 641 P C 0.446 177.764 177.300 0.030 0.000 1.231 641 P CA -0.200 62.943 63.100 0.072 0.000 0.790 641 P CB 0.858 32.624 31.700 0.110 0.000 0.951 642 E N 1.236 121.411 120.200 -0.042 0.000 2.118 642 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 642 E C 0.620 177.034 176.600 -0.310 0.000 0.992 642 E CA 1.141 57.423 56.400 -0.196 0.000 0.804 642 E CB -0.080 29.433 29.700 -0.311 0.000 0.741 642 E HN 0.472 nan 8.360 nan 0.000 0.458 643 H N -0.565 118.513 119.070 0.014 0.000 2.505 643 H HA 0.218 4.774 4.556 -0.001 0.000 0.289 643 H C -0.419 174.901 175.328 -0.012 0.000 1.052 643 H CA 0.198 56.248 56.048 0.004 0.000 1.156 643 H CB 0.652 30.415 29.762 0.001 0.000 1.507 643 H HN -0.036 nan 8.280 nan 0.000 0.548 644 T N 1.534 116.108 114.554 0.032 0.000 2.792 644 T HA 0.311 4.661 4.350 -0.001 0.000 0.280 644 T C 0.324 174.903 174.700 -0.201 0.000 0.990 644 T CA -0.695 61.357 62.100 -0.079 0.000 0.960 644 T CB 2.065 70.882 68.868 -0.085 0.000 0.939 644 T HN 0.270 nan 8.240 nan 0.000 0.439 645 S N 2.338 117.879 115.700 -0.266 0.000 2.718 645 S HA 0.771 5.241 4.470 -0.001 0.000 0.300 645 S C -1.373 172.886 174.600 -0.569 0.000 1.117 645 S CA -0.824 57.235 58.200 -0.235 0.000 1.002 645 S CB 0.856 64.025 63.200 -0.051 0.000 1.092 645 S HN 0.567 nan 8.310 nan 0.000 0.542 646 Y N 0.089 120.387 120.300 -0.003 0.000 2.376 646 Y HA 0.646 5.196 4.550 -0.001 0.000 0.340 646 Y C 0.607 176.555 175.900 0.080 0.000 0.965 646 Y CA -0.736 57.340 58.100 -0.040 0.000 1.078 646 Y CB 1.649 39.946 38.460 -0.272 0.000 1.193 646 Y HN 1.038 nan 8.280 nan 0.000 0.452 647 A N 2.052 125.062 122.820 0.318 0.000 2.386 647 A HA 0.509 4.829 4.320 -0.001 0.000 0.248 647 A C 0.223 178.010 177.584 0.340 0.000 1.082 647 A CA -0.316 51.897 52.037 0.293 0.000 0.789 647 A CB -0.050 19.124 19.000 0.290 0.000 1.025 647 A HN 0.759 nan 8.150 nan 0.000 0.490 648 S N 1.858 117.692 115.700 0.223 0.000 2.646 648 S HA 0.564 5.033 4.470 -0.001 0.000 0.276 648 S C -0.368 174.333 174.600 0.168 0.000 1.222 648 S CA -0.931 57.387 58.200 0.197 0.000 1.014 648 S CB 0.846 64.117 63.200 0.117 0.000 0.991 648 S HN 0.696 nan 8.310 nan 0.000 0.533 649 N N 0.402 119.180 118.700 0.130 0.000 2.249 649 N HA 0.521 5.261 4.740 -0.001 0.000 0.296 649 N C -1.943 173.512 175.510 -0.092 0.000 1.051 649 N CA -0.555 52.525 53.050 0.050 0.000 0.815 649 N CB 2.096 40.697 38.487 0.190 0.000 1.487 649 N HN 0.588 nan 8.380 nan 0.000 0.475 650 L N 2.408 123.529 121.223 -0.170 0.000 2.404 650 L HA 0.461 4.800 4.340 -0.001 0.000 0.272 650 L C -1.529 175.173 176.870 -0.279 0.000 0.980 650 L CA -0.529 54.176 54.840 -0.225 0.000 0.836 650 L CB 1.453 43.439 42.059 -0.122 0.000 1.238 650 L HN 0.431 nan 8.230 nan 0.000 0.408 651 L N 6.618 127.612 121.223 -0.381 0.000 2.257 651 L HA 0.461 4.801 4.340 -0.001 0.000 0.290 651 L C -1.214 175.617 176.870 -0.065 0.000 1.044 651 L CA -0.358 54.327 54.840 -0.259 0.000 0.810 651 L CB 1.127 43.023 42.059 -0.271 0.000 1.193 651 L HN 0.695 nan 8.230 nan 0.000 0.425 652 L N 6.967 128.175 121.223 -0.025 0.000 2.276 652 L HA 0.565 4.904 4.340 -0.001 0.000 0.286 652 L C -0.313 176.594 176.870 0.060 0.000 1.024 652 L CA -0.548 54.311 54.840 0.030 0.000 0.826 652 L CB 1.178 43.248 42.059 0.018 0.000 1.211 652 L HN 0.673 nan 8.230 nan 0.000 0.422 653 R N 2.021 122.569 120.500 0.081 0.000 2.753 653 R HA 0.459 4.799 4.340 -0.001 0.000 0.272 653 R C -1.731 174.604 176.300 0.058 0.000 1.034 653 R CA -1.063 55.078 56.100 0.068 0.000 0.869 653 R CB 1.136 31.477 30.300 0.069 0.000 1.264 653 R HN 0.134 nan 8.270 nan 0.000 0.481 654 K N 1.314 121.736 120.400 0.036 0.000 2.126 654 K HA 0.209 4.529 4.320 -0.001 0.000 0.257 654 K C -0.292 176.305 176.600 -0.004 0.000 1.007 654 K CA -0.684 55.614 56.287 0.019 0.000 0.928 654 K CB 0.543 33.052 32.500 0.015 0.000 1.013 654 K HN 0.820 nan 8.250 nan 0.000 0.473 655 N N 0.845 119.531 118.700 -0.023 0.000 2.746 655 N HA -0.104 4.635 4.740 -0.001 0.000 0.250 655 N C -2.649 172.810 175.510 -0.086 0.000 1.055 655 N CA 0.139 53.156 53.050 -0.055 0.000 0.699 655 N CB -0.761 37.695 38.487 -0.051 0.000 0.919 655 N HN 0.424 nan 8.380 nan 0.000 0.548 656 P HA 0.373 nan 4.420 nan 0.000 0.279 656 P C -0.327 176.790 177.300 -0.305 0.000 1.252 656 P CA -0.210 62.783 63.100 -0.178 0.000 0.811 656 P CB 1.198 32.784 31.700 -0.190 0.000 1.035 657 T N -2.884 111.485 114.554 -0.309 0.000 2.916 657 T HA 0.486 4.836 4.350 -0.001 0.000 0.292 657 T C 0.261 174.752 174.700 -0.348 0.000 1.064 657 T CA -0.749 61.181 62.100 -0.282 0.000 1.011 657 T CB 0.574 69.356 68.868 -0.145 0.000 1.152 657 T HN 0.467 nan 8.240 nan 0.000 0.510 658 S N 0.671 116.231 115.700 -0.233 0.000 2.566 658 S HA 0.364 4.833 4.470 -0.001 0.000 0.280 658 S C -0.135 174.549 174.600 0.140 0.000 1.343 658 S CA -0.744 57.417 58.200 -0.065 0.000 1.036 658 S CB -0.370 62.816 63.200 -0.022 0.000 0.866 658 S HN 0.684 nan 8.310 nan 0.000 0.526 659 L N 2.725 124.138 121.223 0.316 0.000 2.480 659 L HA 0.377 4.717 4.340 -0.001 0.000 0.253 659 L C -2.252 174.727 176.870 0.180 0.000 1.324 659 L CA -1.592 53.417 54.840 0.281 0.000 0.916 659 L CB 1.540 43.858 42.059 0.432 0.000 1.160 659 L HN 0.604 nan 8.230 nan 0.000 0.503 660 P HA 0.185 nan 4.420 nan 0.000 0.274 660 P C -0.166 177.133 177.300 -0.002 0.000 1.231 660 P CA -0.210 62.927 63.100 0.062 0.000 0.790 660 P CB 1.842 33.568 31.700 0.043 0.000 0.951 661 L N 1.016 122.245 121.223 0.010 0.000 3.291 661 L HA 0.287 4.627 4.340 -0.001 0.000 0.307 661 L C 1.392 178.330 176.870 0.113 0.000 1.303 661 L CA -0.219 54.603 54.840 -0.030 0.000 0.949 661 L CB 0.090 42.096 42.059 -0.089 0.000 1.375 661 L HN 0.727 nan 8.230 nan 0.000 0.596 662 G N 1.386 110.232 108.800 0.077 0.000 2.622 662 G HA2 -0.405 3.555 3.960 -0.001 0.000 0.307 662 G HA3 -0.405 3.555 3.960 -0.001 0.000 0.307 662 G C 0.487 175.438 174.900 0.084 0.000 1.226 662 G CA 0.758 45.921 45.100 0.106 0.000 0.997 662 G HN 0.519 nan 8.290 nan 0.000 0.551 663 Q N -0.373 119.449 119.800 0.037 0.000 2.415 663 Q HA 0.290 4.630 4.340 -0.001 0.000 0.206 663 Q C 0.682 176.485 176.000 -0.327 0.000 0.946 663 Q CA 0.093 55.810 55.803 -0.142 0.000 0.951 663 Q CB 0.295 28.891 28.738 -0.238 0.000 1.026 663 Q HN 0.514 nan 8.270 nan 0.000 0.510 664 Y N 4.061 124.152 120.300 -0.348 0.000 2.805 664 Y HA -0.049 4.500 4.550 -0.001 0.000 0.331 664 Y C -1.253 174.474 175.900 -0.287 0.000 1.241 664 Y CA -1.488 56.380 58.100 -0.387 0.000 1.546 664 Y CB 0.813 39.227 38.460 -0.076 0.000 1.248 664 Y HN 0.074 nan 8.280 nan 0.000 0.559 665 P HA -0.085 nan 4.420 nan 0.000 0.233 665 P C -0.421 176.725 177.300 -0.256 0.000 1.167 665 P CA 0.944 63.755 63.100 -0.482 0.000 0.770 665 P CB 0.507 31.777 31.700 -0.715 0.000 0.837 666 E N 0.692 120.795 120.200 -0.161 0.000 2.176 666 E HA 0.264 4.613 4.350 -0.001 0.000 0.267 666 E C -0.717 176.025 176.600 0.236 0.000 0.893 666 E CA -0.677 55.769 56.400 0.078 0.000 0.761 666 E CB 0.551 30.342 29.700 0.151 0.000 1.133 666 E HN -0.099 nan 8.360 nan 0.000 0.409 667 D N 1.750 122.237 120.400 0.146 0.000 2.389 667 D HA 0.085 4.725 4.640 -0.001 0.000 0.247 667 D C -0.084 176.289 176.300 0.121 0.000 1.128 667 D CA -0.165 53.921 54.000 0.143 0.000 0.884 667 D CB 1.065 41.933 40.800 0.113 0.000 1.194 667 D HN 0.119 nan 8.370 nan 0.000 0.441 668 V N 2.794 122.767 119.914 0.100 0.000 2.655 668 V HA -0.007 4.112 4.120 -0.001 0.000 0.300 668 V C 0.694 176.655 176.094 -0.221 0.000 1.044 668 V CA 0.229 62.499 62.300 -0.050 0.000 1.095 668 V CB 0.711 32.497 31.823 -0.061 0.000 0.952 668 V HN 0.365 nan 8.190 nan 0.000 0.485 669 K N 3.131 123.322 120.400 -0.348 0.000 2.156 669 K HA 0.730 5.050 4.320 -0.001 0.000 0.250 669 K C -1.036 175.156 176.600 -0.680 0.000 0.955 669 K CA -0.168 55.935 56.287 -0.307 0.000 0.855 669 K CB 1.362 33.799 32.500 -0.104 0.000 1.101 669 K HN 0.413 nan 8.250 nan 0.000 0.434 670 F N -0.527 119.434 119.950 0.018 0.000 2.611 670 F HA 0.816 5.343 4.527 -0.001 0.000 0.324 670 F C 0.558 176.361 175.800 0.005 0.000 1.061 670 F CA -0.606 57.397 58.000 0.004 0.000 0.954 670 F CB 2.616 41.617 39.000 0.002 0.000 1.301 670 F HN 0.530 nan 8.300 nan 0.000 0.482 671 G N 0.123 109.031 108.800 0.180 0.000 2.466 671 G HA2 0.377 4.337 3.960 -0.001 0.000 0.291 671 G HA3 0.377 4.337 3.960 -0.001 0.000 0.291 671 G C -2.279 172.673 174.900 0.086 0.000 1.460 671 G CA -0.877 44.286 45.100 0.105 0.000 0.791 671 G HN 0.363 nan 8.290 nan 0.000 0.505 672 D N 0.730 121.169 120.400 0.064 0.000 2.339 672 D HA 0.440 5.080 4.640 -0.001 0.000 0.245 672 D C -1.971 174.358 176.300 0.048 0.000 1.115 672 D CA -0.739 53.293 54.000 0.052 0.000 0.917 672 D CB 1.118 41.943 40.800 0.042 0.000 1.192 672 D HN 0.013 nan 8.370 nan 0.000 0.428 673 P HA 0.074 nan 4.420 nan 0.000 0.265 673 P C -0.463 176.865 177.300 0.047 0.000 1.187 673 P CA 0.439 63.568 63.100 0.049 0.000 0.766 673 P CB 0.437 32.169 31.700 0.053 0.000 0.820 674 R N 0.082 120.612 120.500 0.050 0.000 2.728 674 R HA 0.372 4.712 4.340 -0.001 0.000 0.274 674 R C -1.218 175.121 176.300 0.066 0.000 1.032 674 R CA -1.016 55.114 56.100 0.051 0.000 0.866 674 R CB 0.911 31.236 30.300 0.042 0.000 1.263 674 R HN 0.230 nan 8.270 nan 0.000 0.475 675 E N 1.614 121.855 120.200 0.067 0.000 2.398 675 E HA 0.263 4.613 4.350 -0.001 0.000 0.263 675 E C 0.029 176.689 176.600 0.099 0.000 1.046 675 E CA 0.078 56.533 56.400 0.092 0.000 0.908 675 E CB 0.820 30.559 29.700 0.064 0.000 0.963 675 E HN 0.435 nan 8.360 nan 0.000 0.431 676 I N -2.257 118.407 120.570 0.156 0.000 3.095 676 I HA 0.545 4.714 4.170 -0.001 0.000 0.310 676 I C -0.703 175.561 176.117 0.245 0.000 1.196 676 I CA -0.911 60.480 61.300 0.153 0.000 0.985 676 I CB 2.469 40.532 38.000 0.105 0.000 1.250 676 I HN 0.114 nan 8.210 nan 0.000 0.446 677 S N 3.397 119.214 115.700 0.196 0.000 2.538 677 S HA 0.806 5.275 4.470 -0.001 0.000 0.288 677 S C -0.790 173.932 174.600 0.203 0.000 1.108 677 S CA -0.595 57.733 58.200 0.213 0.000 0.971 677 S CB 1.666 64.946 63.200 0.133 0.000 1.041 677 S HN 0.491 nan 8.310 nan 0.000 0.483 678 L N 2.321 123.696 121.223 0.252 0.000 2.371 678 L HA 0.707 5.046 4.340 -0.001 0.000 0.262 678 L C -0.337 176.630 176.870 0.163 0.000 1.006 678 L CA -0.767 54.190 54.840 0.194 0.000 0.818 678 L CB 2.230 44.416 42.059 0.212 0.000 1.354 678 L HN 0.486 nan 8.230 nan 0.000 0.415 679 R N 1.465 122.037 120.500 0.120 0.000 2.510 679 R HA 0.632 4.971 4.340 -0.001 0.000 0.287 679 R C -2.037 174.313 176.300 0.082 0.000 1.084 679 R CA -0.453 55.705 56.100 0.096 0.000 0.934 679 R CB 2.228 32.576 30.300 0.081 0.000 1.201 679 R HN 0.419 nan 8.270 nan 0.000 0.431 680 V N 4.518 124.479 119.914 0.078 0.000 2.483 680 V HA 0.547 4.667 4.120 -0.001 0.000 0.295 680 V C 1.168 177.295 176.094 0.056 0.000 1.035 680 V CA 0.644 62.985 62.300 0.068 0.000 0.896 680 V CB 1.191 33.057 31.823 0.071 0.000 0.986 680 V HN 1.106 nan 8.190 nan 0.000 0.447 681 G N 4.908 113.739 108.800 0.051 0.000 2.634 681 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.309 681 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.309 681 G C 0.528 175.451 174.900 0.037 0.000 1.265 681 G CA 0.713 45.839 45.100 0.043 0.000 0.998 681 G HN 0.691 nan 8.290 nan 0.000 0.551 682 N N 2.354 121.073 118.700 0.031 0.000 2.235 682 N HA 0.264 5.003 4.740 -0.001 0.000 0.209 682 N C 1.251 176.773 175.510 0.020 0.000 1.122 682 N CA 0.950 54.014 53.050 0.023 0.000 0.845 682 N CB 0.325 38.823 38.487 0.018 0.000 1.004 682 N HN 0.804 nan 8.380 nan 0.000 0.499 683 G N 1.817 110.633 108.800 0.027 0.000 2.486 683 G HA2 0.151 4.111 3.960 -0.001 0.000 0.272 683 G HA3 0.151 4.111 3.960 -0.001 0.000 0.272 683 G C -2.249 172.662 174.900 0.018 0.000 1.426 683 G CA -0.496 44.618 45.100 0.024 0.000 1.058 683 G HN 0.029 nan 8.290 nan 0.000 0.531 684 P HA 0.240 nan 4.420 nan 0.000 0.276 684 P C -0.636 176.678 177.300 0.023 0.000 1.261 684 P CA -0.043 63.056 63.100 -0.001 0.000 0.800 684 P CB 1.019 32.712 31.700 -0.011 0.000 1.066 685 T N 1.601 116.163 114.554 0.013 0.000 2.779 685 T HA 0.507 4.856 4.350 -0.001 0.000 0.280 685 T C -0.079 174.651 174.700 0.050 0.000 0.987 685 T CA -0.410 61.727 62.100 0.062 0.000 0.966 685 T CB 0.241 69.164 68.868 0.092 0.000 0.933 685 T HN 0.175 nan 8.240 nan 0.000 0.442 686 L N 2.447 123.709 121.223 0.065 0.000 2.329 686 L HA 0.824 5.163 4.340 -0.001 0.000 0.279 686 L C 0.084 176.904 176.870 -0.084 0.000 1.014 686 L CA -1.230 53.569 54.840 -0.067 0.000 0.814 686 L CB 1.648 43.632 42.059 -0.124 0.000 1.257 686 L HN 0.652 nan 8.230 nan 0.000 0.424 687 A N 2.779 125.466 122.820 -0.222 0.000 2.337 687 A HA 0.878 5.197 4.320 -0.001 0.000 0.329 687 A C -1.226 176.147 177.584 -0.351 0.000 1.146 687 A CA -0.308 51.661 52.037 -0.113 0.000 0.800 687 A CB 0.869 19.854 19.000 -0.025 0.000 1.220 687 A HN 0.497 nan 8.150 nan 0.000 0.472 688 F N 0.727 120.729 119.950 0.086 0.000 2.561 688 F HA 0.570 5.096 4.527 -0.001 0.000 0.321 688 F C 1.047 176.898 175.800 0.085 0.000 1.065 688 F CA -0.341 57.725 58.000 0.110 0.000 0.934 688 F CB 2.174 41.242 39.000 0.112 0.000 1.215 688 F HN 0.655 nan 8.300 nan 0.000 0.471 689 S N -0.121 115.752 115.700 0.287 0.000 2.624 689 S HA 0.147 4.617 4.470 -0.001 0.000 0.263 689 S C 0.923 175.630 174.600 0.179 0.000 1.287 689 S CA -0.200 58.107 58.200 0.177 0.000 0.990 689 S CB 0.855 64.150 63.200 0.158 0.000 0.950 689 S HN 0.843 nan 8.310 nan 0.000 0.561 690 E N -0.079 120.193 120.200 0.119 0.000 2.463 690 E HA -0.188 4.161 4.350 -0.001 0.000 0.201 690 E C 1.135 177.800 176.600 0.108 0.000 1.045 690 E CA 0.934 57.394 56.400 0.100 0.000 0.872 690 E CB -0.397 29.346 29.700 0.071 0.000 0.797 690 E HN 0.759 nan 8.360 nan 0.000 0.538 691 Q N -0.082 119.799 119.800 0.136 0.000 2.280 691 Q HA 0.214 4.554 4.340 -0.001 0.000 0.201 691 Q C 0.784 176.880 176.000 0.160 0.000 0.890 691 Q CA 0.439 56.322 55.803 0.133 0.000 0.947 691 Q CB 1.074 29.895 28.738 0.139 0.000 1.081 691 Q HN 0.482 nan 8.270 nan 0.000 0.502 692 G N 0.381 109.295 108.800 0.190 0.000 2.136 692 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.242 692 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.242 692 G C -0.284 174.843 174.900 0.378 0.000 0.989 692 G CA -0.156 45.058 45.100 0.190 0.000 0.682 692 G HN 0.261 nan 8.290 nan 0.000 0.522 693 L N -0.144 121.349 121.223 0.450 0.000 2.334 693 L HA 0.694 5.034 4.340 -0.001 0.000 0.276 693 L C 0.792 177.987 176.870 0.543 0.000 1.014 693 L CA -1.393 53.766 54.840 0.531 0.000 0.815 693 L CB 1.592 43.868 42.059 0.361 0.000 1.268 693 L HN 0.135 nan 8.230 nan 0.000 0.428 694 L N 3.224 124.744 121.223 0.496 0.000 2.559 694 L HA -0.044 4.295 4.340 -0.001 0.000 0.282 694 L C 1.020 177.977 176.870 0.146 0.000 1.232 694 L CA 0.960 55.833 54.840 0.055 0.000 0.885 694 L CB 0.161 42.293 42.059 0.122 0.000 1.131 694 L HN 0.821 nan 8.230 nan 0.000 0.498 695 K N 1.284 121.664 120.400 -0.034 0.000 2.511 695 K HA 0.319 4.639 4.320 -0.001 0.000 0.209 695 K C -0.135 176.419 176.600 -0.076 0.000 1.301 695 K CA 0.310 56.599 56.287 0.003 0.000 0.967 695 K CB 0.449 32.921 32.500 -0.047 0.000 1.109 695 K HN 0.610 nan 8.250 nan 0.000 0.561 696 S N 0.322 115.952 115.700 -0.118 0.000 2.567 696 S HA 0.592 5.062 4.470 -0.001 0.000 0.270 696 S C -1.193 173.353 174.600 -0.090 0.000 1.152 696 S CA -0.985 57.167 58.200 -0.081 0.000 0.835 696 S CB 1.338 64.542 63.200 0.007 0.000 1.115 696 S HN 0.179 nan 8.310 nan 0.000 0.459 697 I N 1.339 121.861 120.570 -0.081 0.000 2.499 697 I HA 0.451 4.621 4.170 -0.001 0.000 0.288 697 I C -0.693 175.349 176.117 -0.124 0.000 1.048 697 I CA -0.372 60.873 61.300 -0.091 0.000 1.062 697 I CB 2.207 40.149 38.000 -0.098 0.000 1.238 697 I HN 0.735 nan 8.210 nan 0.000 0.426 698 Q N 5.956 125.658 119.800 -0.163 0.000 2.357 698 Q HA 0.422 4.762 4.340 -0.001 0.000 0.266 698 Q C 0.101 176.005 176.000 -0.160 0.000 1.021 698 Q CA -0.509 55.122 55.803 -0.287 0.000 0.784 698 Q CB 1.675 30.057 28.738 -0.594 0.000 1.243 698 Q HN 0.771 nan 8.270 nan 0.000 0.465 699 L N 1.876 123.023 121.223 -0.128 0.000 2.056 699 L HA -0.037 4.302 4.340 -0.001 0.000 0.207 699 L C 1.163 177.994 176.870 -0.064 0.000 1.078 699 L CA 1.293 56.084 54.840 -0.080 0.000 0.749 699 L CB -0.348 41.669 42.059 -0.070 0.000 0.901 699 L HN 0.653 nan 8.230 nan 0.000 0.433 700 T N -6.466 108.044 114.554 -0.073 0.000 2.865 700 T HA 0.224 4.574 4.350 -0.001 0.000 0.294 700 T C 0.532 175.200 174.700 -0.052 0.000 1.119 700 T CA -0.856 61.215 62.100 -0.047 0.000 1.007 700 T CB 1.947 70.793 68.868 -0.036 0.000 1.225 700 T HN -0.161 nan 8.240 nan 0.000 0.515 701 Q N 1.237 121.023 119.800 -0.024 0.000 2.103 701 Q HA -0.231 4.109 4.340 -0.001 0.000 0.213 701 Q C 1.873 177.864 176.000 -0.015 0.000 1.008 701 Q CA 2.793 58.590 55.803 -0.009 0.000 0.879 701 Q CB -0.532 28.208 28.738 0.004 0.000 0.946 701 Q HN 0.951 nan 8.270 nan 0.000 0.413 702 D N -0.342 120.046 120.400 -0.021 0.000 2.162 702 D HA -0.055 4.584 4.640 -0.001 0.000 0.205 702 D C 0.823 177.101 176.300 -0.037 0.000 0.964 702 D CA 0.717 54.706 54.000 -0.017 0.000 0.847 702 D CB -0.416 40.377 40.800 -0.011 0.000 0.988 702 D HN 0.147 nan 8.370 nan 0.000 0.480 703 S N 2.095 117.758 115.700 -0.062 0.000 2.553 703 S HA 0.102 4.571 4.470 -0.001 0.000 0.271 703 S C -2.113 172.416 174.600 -0.120 0.000 1.362 703 S CA -0.907 57.245 58.200 -0.080 0.000 1.010 703 S CB 0.080 63.227 63.200 -0.088 0.000 0.865 703 S HN 0.096 nan 8.310 nan 0.000 0.543 704 P HA 0.141 nan 4.420 nan 0.000 0.274 704 P C -0.669 176.514 177.300 -0.195 0.000 1.246 704 P CA -0.275 62.779 63.100 -0.076 0.000 0.795 704 P CB 0.244 31.933 31.700 -0.020 0.000 1.006 705 H N 0.296 119.351 119.070 -0.024 0.000 2.969 705 H HA 0.180 4.736 4.556 -0.001 0.000 0.269 705 H C -0.138 175.159 175.328 -0.052 0.000 1.223 705 H CA -0.368 55.657 56.048 -0.038 0.000 1.400 705 H CB 0.002 29.744 29.762 -0.034 0.000 1.500 705 H HN 0.083 nan 8.280 nan 0.000 0.486 706 V N 6.891 126.775 119.914 -0.050 0.000 2.521 706 V HA 0.039 4.159 4.120 -0.001 0.000 0.286 706 V C -1.864 174.177 176.094 -0.090 0.000 1.034 706 V CA -1.401 60.862 62.300 -0.061 0.000 1.045 706 V CB 0.674 32.451 31.823 -0.078 0.000 0.974 706 V HN 0.549 nan 8.190 nan 0.000 0.480 707 P HA 0.194 nan 4.420 nan 0.000 0.267 707 P C -0.831 176.332 177.300 -0.230 0.000 1.209 707 P CA 0.217 63.182 63.100 -0.226 0.000 0.763 707 P CB 0.516 31.934 31.700 -0.469 0.000 0.816 708 V N 4.127 123.936 119.914 -0.175 0.000 2.559 708 V HA 0.204 4.323 4.120 -0.001 0.000 0.289 708 V C -0.632 175.373 176.094 -0.148 0.000 1.036 708 V CA -0.450 61.730 62.300 -0.200 0.000 0.887 708 V CB 1.156 32.844 31.823 -0.224 0.000 1.022 708 V HN 0.625 nan 8.190 nan 0.000 0.442 709 H N 4.450 123.372 119.070 -0.246 0.000 2.469 709 H HA 0.606 5.161 4.556 -0.001 0.000 0.342 709 H C -1.541 173.679 175.328 -0.180 0.000 1.115 709 H CA -0.632 55.318 56.048 -0.163 0.000 1.204 709 H CB 1.512 31.220 29.762 -0.090 0.000 1.492 709 H HN 0.446 nan 8.280 nan 0.000 0.499 710 F N 3.363 123.019 119.950 -0.490 0.000 2.399 710 F HA 0.362 4.888 4.527 -0.001 0.000 0.334 710 F C 0.232 175.501 175.800 -0.885 0.000 1.097 710 F CA -0.208 57.458 58.000 -0.556 0.000 1.076 710 F CB 1.333 40.124 39.000 -0.348 0.000 1.162 710 F HN 0.437 nan 8.300 nan 0.000 0.495 711 K N 2.768 122.885 120.400 -0.472 0.000 2.527 711 K HA 0.532 4.851 4.320 -0.001 0.000 0.260 711 K C -2.059 174.252 176.600 -0.481 0.000 0.937 711 K CA -0.562 55.495 56.287 -0.384 0.000 0.826 711 K CB 1.454 33.807 32.500 -0.245 0.000 1.359 711 K HN 0.417 nan 8.250 nan 0.000 0.434 712 F N 3.630 123.504 119.950 -0.126 0.000 2.458 712 F HA 0.490 5.016 4.527 -0.001 0.000 0.336 712 F C -0.477 175.280 175.800 -0.071 0.000 1.114 712 F CA -0.581 57.357 58.000 -0.102 0.000 0.987 712 F CB 1.273 40.199 39.000 -0.122 0.000 1.130 712 F HN 0.251 nan 8.300 nan 0.000 0.458 713 L N 2.862 124.119 121.223 0.057 0.000 2.257 713 L HA 0.660 5.000 4.340 -0.001 0.000 0.257 713 L C -1.151 175.706 176.870 -0.023 0.000 1.033 713 L CA -0.999 53.828 54.840 -0.021 0.000 0.835 713 L CB 2.196 44.178 42.059 -0.127 0.000 1.398 713 L HN 0.475 nan 8.230 nan 0.000 0.429 714 K N -0.465 119.879 120.400 -0.093 0.000 2.427 714 K HA 0.651 4.970 4.320 -0.001 0.000 0.252 714 K C -1.819 174.699 176.600 -0.137 0.000 0.931 714 K CA -0.816 55.446 56.287 -0.043 0.000 0.793 714 K CB 1.771 34.286 32.500 0.024 0.000 1.211 714 K HN 0.210 nan 8.250 nan 0.000 0.426 715 Y N 0.506 120.868 120.300 0.104 0.000 2.387 715 Y HA 0.542 5.092 4.550 -0.001 0.000 0.330 715 Y C 0.961 176.918 175.900 0.095 0.000 1.133 715 Y CA 0.067 58.239 58.100 0.121 0.000 1.152 715 Y CB 2.207 40.810 38.460 0.239 0.000 1.215 715 Y HN 0.917 nan 8.280 nan 0.000 0.466 716 G N 0.516 109.460 108.800 0.240 0.000 2.971 716 G HA2 0.630 4.590 3.960 -0.001 0.000 0.235 716 G HA3 0.630 4.590 3.960 -0.001 0.000 0.235 716 G C -1.491 173.481 174.900 0.119 0.000 1.351 716 G CA -0.734 44.451 45.100 0.141 0.000 1.039 716 G HN 0.435 nan 8.290 nan 0.000 0.563 717 V N -0.117 119.835 119.914 0.063 0.000 2.864 717 V HA 0.467 4.587 4.120 -0.001 0.000 0.314 717 V C -0.011 176.075 176.094 -0.013 0.000 1.073 717 V CA -0.851 61.465 62.300 0.027 0.000 0.956 717 V CB 1.924 33.766 31.823 0.032 0.000 1.023 717 V HN 0.675 nan 8.190 nan 0.000 0.435 718 R N 1.356 121.821 120.500 -0.059 0.000 2.543 718 R HA 0.194 4.533 4.340 -0.001 0.000 0.277 718 R C 1.164 177.406 176.300 -0.097 0.000 1.074 718 R CA 0.392 56.420 56.100 -0.120 0.000 1.076 718 R CB 0.600 30.771 30.300 -0.215 0.000 0.993 718 R HN 0.907 nan 8.270 nan 0.000 0.459 719 S N 1.352 117.006 115.700 -0.075 0.000 2.528 719 S HA -0.033 4.437 4.470 -0.001 0.000 0.219 719 S C 0.514 175.138 174.600 0.039 0.000 0.985 719 S CA 0.025 58.227 58.200 0.004 0.000 0.914 719 S CB -0.240 62.994 63.200 0.056 0.000 0.776 719 S HN 0.772 nan 8.310 nan 0.000 0.526 720 H N -1.059 118.012 119.070 0.002 0.000 2.895 720 H HA 0.654 5.209 4.556 -0.001 0.000 0.373 720 H C 0.479 175.805 175.328 -0.004 0.000 1.174 720 H CA -0.386 55.662 56.048 -0.001 0.000 1.144 720 H CB 1.161 30.923 29.762 -0.001 0.000 1.793 720 H HN 0.403 nan 8.280 nan 0.000 0.551 721 G N 1.881 110.688 108.800 0.013 0.000 2.587 721 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.212 721 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.212 721 G C -1.228 173.641 174.900 -0.053 0.000 1.327 721 G CA -0.270 44.812 45.100 -0.029 0.000 0.898 721 G HN 0.766 nan 8.290 nan 0.000 0.551 722 D N 1.421 121.787 120.400 -0.057 0.000 2.389 722 D HA 0.459 5.099 4.640 -0.001 0.000 0.247 722 D C 0.875 177.140 176.300 -0.058 0.000 1.128 722 D CA 0.164 54.135 54.000 -0.049 0.000 0.884 722 D CB 0.598 41.371 40.800 -0.044 0.000 1.194 722 D HN 0.424 nan 8.370 nan 0.000 0.441 723 R N 1.134 121.610 120.500 -0.040 0.000 2.474 723 R HA 0.339 4.678 4.340 -0.001 0.000 0.295 723 R C 0.047 176.336 176.300 -0.019 0.000 0.980 723 R CA -0.656 55.427 56.100 -0.029 0.000 0.934 723 R CB 1.148 31.441 30.300 -0.011 0.000 1.101 723 R HN 0.303 nan 8.270 nan 0.000 0.469 724 S N 0.214 115.913 115.700 -0.002 0.000 2.568 724 S HA 0.411 4.881 4.470 -0.001 0.000 0.282 724 S C 0.588 175.205 174.600 0.029 0.000 1.338 724 S CA 0.113 58.329 58.200 0.027 0.000 1.045 724 S CB 1.070 64.318 63.200 0.080 0.000 0.873 724 S HN 0.767 nan 8.310 nan 0.000 0.516 725 G N -0.119 108.699 108.800 0.029 0.000 2.815 725 G HA2 0.585 4.544 3.960 -0.001 0.000 0.305 725 G HA3 0.585 4.544 3.960 -0.001 0.000 0.305 725 G C 0.520 175.433 174.900 0.021 0.000 1.277 725 G CA -0.112 45.011 45.100 0.038 0.000 0.795 725 G HN 0.704 nan 8.290 nan 0.000 0.528 726 A N -1.324 121.491 122.820 -0.008 0.000 2.019 726 A HA 0.094 4.413 4.320 -0.001 0.000 0.219 726 A C 1.871 179.337 177.584 -0.198 0.000 1.164 726 A CA 1.913 53.882 52.037 -0.113 0.000 0.644 726 A CB -0.584 18.284 19.000 -0.220 0.000 0.805 726 A HN 0.584 nan 8.150 nan 0.000 0.449 727 Y N -0.744 119.483 120.300 -0.122 0.000 2.314 727 Y HA 0.338 4.887 4.550 -0.001 0.000 0.294 727 Y C 0.881 176.647 175.900 -0.225 0.000 1.139 727 Y CA 0.004 57.948 58.100 -0.260 0.000 1.162 727 Y CB -0.140 37.800 38.460 -0.866 0.000 1.121 727 Y HN 0.017 nan 8.280 nan 0.000 0.529 728 L N 0.627 121.794 121.223 -0.092 0.000 2.334 728 L HA 0.195 4.535 4.340 -0.001 0.000 0.277 728 L C -1.060 175.851 176.870 0.069 0.000 1.075 728 L CA -0.538 54.255 54.840 -0.078 0.000 0.804 728 L CB 0.820 42.789 42.059 -0.150 0.000 1.174 728 L HN 0.032 nan 8.230 nan 0.000 0.438 729 F N 4.896 124.780 119.950 -0.110 0.000 2.361 729 F HA 0.485 5.012 4.527 -0.001 0.000 0.364 729 F C -0.731 174.984 175.800 -0.142 0.000 1.117 729 F CA -1.233 56.664 58.000 -0.171 0.000 1.071 729 F CB 0.666 39.495 39.000 -0.284 0.000 1.188 729 F HN 0.214 nan 8.300 nan 0.000 0.464 730 L N 9.167 130.288 121.223 -0.170 0.000 2.556 730 L HA 0.322 4.662 4.340 -0.001 0.000 0.243 730 L C -2.343 174.336 176.870 -0.319 0.000 1.331 730 L CA -1.780 52.897 54.840 -0.271 0.000 0.927 730 L CB 1.035 43.023 42.059 -0.119 0.000 1.219 730 L HN 0.399 nan 8.230 nan 0.000 0.490 731 P HA 0.012 nan 4.420 nan 0.000 0.269 731 P C -0.543 176.665 177.300 -0.154 0.000 1.209 731 P CA -0.212 62.683 63.100 -0.341 0.000 0.776 731 P CB 0.554 31.919 31.700 -0.559 0.000 0.876 732 N N 1.371 120.054 118.700 -0.027 0.000 3.331 732 N HA 0.299 5.039 4.740 -0.001 0.000 0.303 732 N C 0.707 176.225 175.510 0.014 0.000 1.326 732 N CA -0.169 52.866 53.050 -0.026 0.000 1.207 732 N CB -0.763 37.718 38.487 -0.009 0.000 1.477 732 N HN 0.753 nan 8.380 nan 0.000 0.541 733 G N 0.869 109.673 108.800 0.005 0.000 2.655 733 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.680 733 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.680 733 G C -3.050 171.926 174.900 0.127 0.000 1.302 733 G CA -1.113 44.010 45.100 0.039 0.000 0.872 733 G HN 0.388 nan 8.290 nan 0.000 0.540 734 P HA 0.456 nan 4.420 nan 0.000 0.269 734 P C 0.458 177.735 177.300 -0.039 0.000 1.217 734 P CA 0.648 63.822 63.100 0.123 0.000 0.783 734 P CB 0.400 32.134 31.700 0.058 0.000 0.898 735 A N 1.849 124.463 122.820 -0.343 0.000 2.386 735 A HA 0.435 4.754 4.320 -0.001 0.000 0.248 735 A C 0.116 177.550 177.584 -0.251 0.000 1.082 735 A CA 0.137 51.807 52.037 -0.613 0.000 0.789 735 A CB -0.151 18.159 19.000 -1.150 0.000 1.025 735 A HN 0.475 nan 8.150 nan 0.000 0.490 736 S N 2.143 117.733 115.700 -0.183 0.000 2.509 736 S HA 0.575 5.044 4.470 -0.001 0.000 0.297 736 S C -2.699 171.863 174.600 -0.065 0.000 1.118 736 S CA -1.030 57.119 58.200 -0.084 0.000 1.074 736 S CB 1.260 64.433 63.200 -0.045 0.000 1.038 736 S HN 0.561 nan 8.310 nan 0.000 0.498 737 P HA 0.075 nan 4.420 nan 0.000 0.265 737 P C -0.716 176.593 177.300 0.016 0.000 1.193 737 P CA -0.259 62.841 63.100 0.000 0.000 0.765 737 P CB 0.288 32.000 31.700 0.019 0.000 0.823 738 V N 3.874 123.812 119.914 0.040 0.000 2.572 738 V HA -0.013 4.106 4.120 -0.001 0.000 0.291 738 V C 0.988 177.106 176.094 0.039 0.000 1.039 738 V CA 0.223 62.547 62.300 0.040 0.000 1.055 738 V CB -0.095 31.762 31.823 0.057 0.000 0.969 738 V HN 0.520 nan 8.190 nan 0.000 0.482 739 E N 4.147 124.364 120.200 0.028 0.000 2.217 739 E HA 0.160 4.509 4.350 -0.001 0.000 0.279 739 E C 0.488 177.106 176.600 0.030 0.000 1.068 739 E CA -0.185 56.234 56.400 0.031 0.000 0.882 739 E CB 0.890 30.606 29.700 0.026 0.000 1.039 739 E HN 0.562 nan 8.360 nan 0.000 0.418 740 L N 2.819 124.065 121.223 0.039 0.000 2.375 740 L HA 0.113 4.452 4.340 -0.001 0.000 0.215 740 L C 1.361 178.254 176.870 0.039 0.000 1.108 740 L CA 0.514 55.376 54.840 0.037 0.000 0.830 740 L CB -0.596 41.495 42.059 0.054 0.000 0.959 740 L HN 0.850 nan 8.230 nan 0.000 0.457 741 G N 0.678 109.503 108.800 0.041 0.000 2.547 741 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.271 741 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.271 741 G C -0.026 174.902 174.900 0.047 0.000 1.209 741 G CA 0.121 45.247 45.100 0.042 0.000 0.959 741 G HN 0.332 nan 8.290 nan 0.000 0.563 742 Q N 1.576 121.405 119.800 0.049 0.000 2.700 742 Q HA 0.469 4.808 4.340 -0.001 0.000 0.249 742 Q C -2.058 173.980 176.000 0.062 0.000 1.033 742 Q CA -1.592 54.242 55.803 0.052 0.000 0.804 742 Q CB 1.169 29.933 28.738 0.045 0.000 1.164 742 Q HN 0.654 nan 8.270 nan 0.000 0.500 743 P HA 0.024 nan 4.420 nan 0.000 0.272 743 P C -0.462 176.902 177.300 0.107 0.000 1.223 743 P CA -0.237 62.912 63.100 0.083 0.000 0.784 743 P CB 1.115 32.849 31.700 0.057 0.000 0.923 744 V N 2.316 122.329 119.914 0.164 0.000 2.530 744 V HA 0.128 4.248 4.120 -0.001 0.000 0.282 744 V C 0.573 176.810 176.094 0.239 0.000 1.048 744 V CA -0.214 62.203 62.300 0.195 0.000 0.997 744 V CB 1.238 33.215 31.823 0.256 0.000 0.987 744 V HN 0.277 nan 8.190 nan 0.000 0.477 745 V N 6.264 126.264 119.914 0.144 0.000 2.487 745 V HA 0.469 4.588 4.120 -0.001 0.000 0.298 745 V C -0.450 175.661 176.094 0.028 0.000 1.028 745 V CA -0.621 61.745 62.300 0.110 0.000 0.860 745 V CB 1.713 33.561 31.823 0.042 0.000 0.991 745 V HN 0.676 nan 8.190 nan 0.000 0.427 746 L N 6.617 127.856 121.223 0.028 0.000 2.313 746 L HA 0.754 5.093 4.340 -0.001 0.000 0.283 746 L C -0.647 176.108 176.870 -0.191 0.000 1.013 746 L CA 0.020 54.748 54.840 -0.187 0.000 0.816 746 L CB 1.769 43.617 42.059 -0.353 0.000 1.236 746 L HN 0.442 nan 8.230 nan 0.000 0.419 747 V N 4.067 123.854 119.914 -0.212 0.000 2.409 747 V HA 0.563 4.682 4.120 -0.001 0.000 0.291 747 V C -0.070 175.950 176.094 -0.124 0.000 1.020 747 V CA -0.413 61.786 62.300 -0.167 0.000 0.848 747 V CB 1.643 33.385 31.823 -0.135 0.000 0.990 747 V HN 0.849 nan 8.190 nan 0.000 0.430 748 T N 5.150 119.663 114.554 -0.069 0.000 2.807 748 T HA 0.492 4.841 4.350 -0.001 0.000 0.279 748 T C -0.466 174.263 174.700 0.047 0.000 0.993 748 T CA -0.609 61.506 62.100 0.026 0.000 0.970 748 T CB 1.348 70.273 68.868 0.094 0.000 0.950 748 T HN 0.677 nan 8.240 nan 0.000 0.441 749 K N 2.102 122.548 120.400 0.076 0.000 2.413 749 K HA 0.700 5.019 4.320 -0.001 0.000 0.257 749 K C -0.417 176.244 176.600 0.101 0.000 0.946 749 K CA -0.583 55.750 56.287 0.076 0.000 0.823 749 K CB 1.122 33.659 32.500 0.062 0.000 1.109 749 K HN 0.789 nan 8.250 nan 0.000 0.427 750 G N 2.090 110.947 108.800 0.095 0.000 2.680 750 G HA2 0.181 4.140 3.960 -0.001 0.000 0.290 750 G HA3 0.181 4.140 3.960 -0.001 0.000 0.290 750 G C -0.401 174.546 174.900 0.079 0.000 1.355 750 G CA -0.645 44.513 45.100 0.097 0.000 0.903 750 G HN 0.645 nan 8.290 nan 0.000 0.474 751 K N -0.329 120.112 120.400 0.069 0.000 2.155 751 K HA 0.160 4.480 4.320 -0.001 0.000 0.203 751 K C 1.552 178.189 176.600 0.062 0.000 1.052 751 K CA 0.793 57.117 56.287 0.061 0.000 0.948 751 K CB -0.119 32.413 32.500 0.053 0.000 0.728 751 K HN 0.428 nan 8.250 nan 0.000 0.448 752 L N -0.448 120.814 121.223 0.065 0.000 2.408 752 L HA 0.211 4.550 4.340 -0.001 0.000 0.215 752 L C 0.538 177.446 176.870 0.063 0.000 1.081 752 L CA 0.129 55.007 54.840 0.064 0.000 0.840 752 L CB 0.386 42.486 42.059 0.068 0.000 1.002 752 L HN 0.164 nan 8.230 nan 0.000 0.468 753 E N -0.387 119.855 120.200 0.071 0.000 2.321 753 E HA 0.410 4.759 4.350 -0.001 0.000 0.281 753 E C -1.458 175.190 176.600 0.081 0.000 0.910 753 E CA -0.212 56.232 56.400 0.072 0.000 0.770 753 E CB 2.169 31.912 29.700 0.071 0.000 1.225 753 E HN -0.125 nan 8.360 nan 0.000 0.417 754 S N 1.247 116.993 115.700 0.076 0.000 2.671 754 S HA 0.804 5.274 4.470 -0.001 0.000 0.299 754 S C -1.299 173.334 174.600 0.054 0.000 1.116 754 S CA -0.662 57.579 58.200 0.069 0.000 0.912 754 S CB 1.834 65.076 63.200 0.070 0.000 1.130 754 S HN 0.578 nan 8.310 nan 0.000 0.501 755 S N 0.057 115.765 115.700 0.014 0.000 2.587 755 S HA 0.705 5.175 4.470 -0.001 0.000 0.269 755 S C -2.120 172.393 174.600 -0.145 0.000 1.154 755 S CA -0.601 57.581 58.200 -0.029 0.000 0.824 755 S CB 1.037 64.241 63.200 0.008 0.000 1.118 755 S HN 0.498 nan 8.310 nan 0.000 0.462 756 V N 2.377 122.144 119.914 -0.245 0.000 2.483 756 V HA 0.726 4.845 4.120 -0.001 0.000 0.297 756 V C -0.547 175.411 176.094 -0.226 0.000 1.027 756 V CA -0.465 61.609 62.300 -0.376 0.000 0.855 756 V CB 1.668 32.936 31.823 -0.926 0.000 0.995 756 V HN 0.932 nan 8.190 nan 0.000 0.424 757 S N 3.249 118.875 115.700 -0.123 0.000 2.500 757 S HA 0.776 5.246 4.470 -0.001 0.000 0.301 757 S C -0.820 173.736 174.600 -0.075 0.000 1.092 757 S CA -0.605 57.542 58.200 -0.089 0.000 1.030 757 S CB 2.092 65.347 63.200 0.093 0.000 1.031 757 S HN 0.678 nan 8.310 nan 0.000 0.483 758 V N 2.237 121.989 119.914 -0.269 0.000 2.709 758 V HA 0.836 4.955 4.120 -0.001 0.000 0.308 758 V C -0.013 175.746 176.094 -0.557 0.000 1.062 758 V CA -0.442 61.719 62.300 -0.232 0.000 0.901 758 V CB 1.794 33.597 31.823 -0.032 0.000 1.003 758 V HN 0.981 nan 8.190 nan 0.000 0.425 759 G N 6.960 115.465 108.800 -0.492 0.000 2.546 759 G HA2 0.529 4.489 3.960 -0.001 0.000 0.320 759 G HA3 0.529 4.489 3.960 -0.001 0.000 0.320 759 G C -0.532 174.268 174.900 -0.167 0.000 0.984 759 G CA -0.353 44.485 45.100 -0.436 0.000 1.183 759 G HN 0.716 nan 8.290 nan 0.000 0.443 760 L N 2.717 123.798 121.223 -0.237 0.000 2.431 760 L HA 0.405 4.744 4.340 -0.001 0.000 0.260 760 L C -2.036 174.741 176.870 -0.156 0.000 1.098 760 L CA -2.328 52.402 54.840 -0.184 0.000 0.800 760 L CB 1.732 43.603 42.059 -0.314 0.000 1.210 760 L HN 0.207 nan 8.230 nan 0.000 0.465 761 P HA 0.104 nan 4.420 nan 0.000 0.271 761 P C 0.019 177.241 177.300 -0.129 0.000 1.226 761 P CA 0.338 63.391 63.100 -0.079 0.000 0.765 761 P CB 1.063 32.737 31.700 -0.043 0.000 0.835 762 S N -0.133 115.496 115.700 -0.117 0.000 2.769 762 S HA -0.111 4.358 4.470 -0.001 0.000 0.264 762 S C 0.191 174.688 174.600 -0.172 0.000 1.288 762 S CA 1.275 59.403 58.200 -0.120 0.000 1.378 762 S CB -1.491 61.657 63.200 -0.086 0.000 1.702 762 S HN 0.402 nan 8.310 nan 0.000 0.656 763 V N 1.273 121.031 119.914 -0.260 0.000 2.655 763 V HA 0.438 4.557 4.120 -0.001 0.000 0.301 763 V C -0.262 175.608 176.094 -0.373 0.000 1.082 763 V CA -0.797 61.302 62.300 -0.334 0.000 0.899 763 V CB 2.074 33.539 31.823 -0.597 0.000 1.014 763 V HN 0.101 nan 8.190 nan 0.000 0.429 764 V N 4.110 123.810 119.914 -0.357 0.000 2.385 764 V HA 0.337 4.457 4.120 -0.001 0.000 0.269 764 V C -0.173 175.705 176.094 -0.360 0.000 1.043 764 V CA -0.315 61.659 62.300 -0.543 0.000 0.906 764 V CB 0.911 32.294 31.823 -0.734 0.000 0.995 764 V HN 0.918 nan 8.190 nan 0.000 0.467 765 H N 4.738 123.552 119.070 -0.427 0.000 2.467 765 H HA 0.634 5.190 4.556 -0.001 0.000 0.326 765 H C -0.459 174.757 175.328 -0.188 0.000 1.094 765 H CA -0.384 55.516 56.048 -0.246 0.000 1.253 765 H CB 1.151 30.794 29.762 -0.199 0.000 1.439 765 H HN 0.688 nan 8.280 nan 0.000 0.479 766 Q N 3.065 122.546 119.800 -0.531 0.000 2.323 766 Q HA 0.409 4.748 4.340 -0.001 0.000 0.271 766 Q C -1.100 174.703 176.000 -0.329 0.000 1.048 766 Q CA -0.957 54.638 55.803 -0.348 0.000 0.792 766 Q CB 2.518 31.161 28.738 -0.159 0.000 1.280 766 Q HN 0.612 nan 8.270 nan 0.000 0.441 767 T N 2.873 117.319 114.554 -0.180 0.000 2.791 767 T HA 0.578 4.927 4.350 -0.001 0.000 0.288 767 T C -0.395 174.342 174.700 0.061 0.000 0.999 767 T CA -0.406 61.709 62.100 0.025 0.000 0.952 767 T CB 0.304 69.365 68.868 0.321 0.000 0.938 767 T HN 0.371 nan 8.240 nan 0.000 0.444 768 I N 3.966 124.583 120.570 0.079 0.000 2.404 768 I HA 0.473 4.642 4.170 -0.001 0.000 0.293 768 I C -0.199 175.978 176.117 0.100 0.000 0.992 768 I CA -0.752 60.593 61.300 0.075 0.000 1.149 768 I CB 1.623 39.657 38.000 0.056 0.000 1.315 768 I HN 0.397 nan 8.210 nan 0.000 0.446 769 M N 6.176 125.836 119.600 0.099 0.000 2.243 769 M HA 0.486 4.966 4.480 -0.001 0.000 0.324 769 M C 0.173 176.520 176.300 0.077 0.000 1.031 769 M CA -0.336 55.025 55.300 0.101 0.000 0.949 769 M CB 2.080 34.756 32.600 0.126 0.000 1.615 769 M HN 0.473 nan 8.290 nan 0.000 0.430 770 R N 1.090 121.629 120.500 0.065 0.000 2.572 770 R HA 0.363 4.703 4.340 -0.001 0.000 0.370 770 R C 0.811 177.141 176.300 0.050 0.000 1.005 770 R CA 0.207 56.339 56.100 0.054 0.000 1.146 770 R CB 1.086 31.410 30.300 0.040 0.000 1.390 770 R HN 1.148 nan 8.270 nan 0.000 0.553 771 G N -0.481 108.351 108.800 0.053 0.000 2.255 771 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.196 771 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.196 771 G C 0.298 175.220 174.900 0.038 0.000 0.998 771 G CA -0.410 44.718 45.100 0.045 0.000 0.656 771 G HN 0.515 nan 8.290 nan 0.000 0.490 772 G N -0.056 108.768 108.800 0.039 0.000 3.252 772 G HA2 0.806 4.765 3.960 -0.001 0.000 0.181 772 G HA3 0.806 4.765 3.960 -0.001 0.000 0.181 772 G C 0.436 175.358 174.900 0.036 0.000 1.187 772 G CA 0.444 45.562 45.100 0.031 0.000 0.886 772 G HN 1.507 nan 8.290 nan 0.000 0.615 773 A N 1.241 124.080 122.820 0.032 0.000 2.531 773 A HA 0.538 4.857 4.320 -0.001 0.000 0.236 773 A C -1.775 175.849 177.584 0.065 0.000 1.062 773 A CA -0.475 51.586 52.037 0.040 0.000 0.760 773 A CB -0.338 18.683 19.000 0.034 0.000 0.995 773 A HN 0.399 nan 8.150 nan 0.000 0.501 774 P HA 0.173 nan 4.420 nan 0.000 0.274 774 P C -0.559 176.818 177.300 0.128 0.000 1.246 774 P CA -0.256 62.913 63.100 0.116 0.000 0.795 774 P CB 0.691 32.483 31.700 0.154 0.000 1.006 775 E N 1.158 121.432 120.200 0.123 0.000 2.179 775 E HA 0.403 4.752 4.350 -0.001 0.000 0.275 775 E C -0.861 175.825 176.600 0.144 0.000 0.945 775 E CA -0.714 55.762 56.400 0.128 0.000 0.792 775 E CB 0.634 30.384 29.700 0.083 0.000 1.125 775 E HN 0.204 nan 8.360 nan 0.000 0.397 776 I N 4.019 124.713 120.570 0.206 0.000 2.441 776 I HA 0.436 4.605 4.170 -0.001 0.000 0.295 776 I C -0.024 176.223 176.117 0.216 0.000 0.994 776 I CA -0.674 60.725 61.300 0.165 0.000 1.144 776 I CB 1.375 39.495 38.000 0.199 0.000 1.314 776 I HN 0.598 nan 8.210 nan 0.000 0.445 777 R N 4.439 124.990 120.500 0.085 0.000 2.575 777 R HA 0.499 4.838 4.340 -0.001 0.000 0.293 777 R C -1.026 175.326 176.300 0.087 0.000 0.983 777 R CA -0.890 55.280 56.100 0.116 0.000 0.887 777 R CB 2.168 32.492 30.300 0.040 0.000 1.184 777 R HN 0.461 nan 8.270 nan 0.000 0.445 778 N N 2.466 121.280 118.700 0.191 0.000 2.407 778 N HA 0.208 4.947 4.740 -0.001 0.000 0.277 778 N C -1.297 174.229 175.510 0.026 0.000 0.995 778 N CA -0.708 52.427 53.050 0.142 0.000 0.903 778 N CB 1.936 40.613 38.487 0.317 0.000 1.218 778 N HN 0.335 nan 8.380 nan 0.000 0.487 779 L N 3.722 124.899 121.223 -0.076 0.000 2.270 779 L HA 0.393 4.733 4.340 -0.001 0.000 0.286 779 L C -1.043 175.757 176.870 -0.117 0.000 1.059 779 L CA -0.519 54.257 54.840 -0.107 0.000 0.839 779 L CB 0.491 42.472 42.059 -0.130 0.000 1.221 779 L HN 0.206 nan 8.230 nan 0.000 0.431 780 V N 4.709 124.559 119.914 -0.107 0.000 2.364 780 V HA 0.364 4.483 4.120 -0.001 0.000 0.272 780 V C -0.420 175.635 176.094 -0.065 0.000 1.036 780 V CA -0.433 61.821 62.300 -0.078 0.000 0.880 780 V CB 1.158 32.963 31.823 -0.030 0.000 0.991 780 V HN 0.710 nan 8.190 nan 0.000 0.460 781 D N 4.155 124.517 120.400 -0.063 0.000 2.389 781 D HA 0.261 4.900 4.640 -0.001 0.000 0.256 781 D C 0.474 176.750 176.300 -0.040 0.000 1.239 781 D CA -0.404 53.568 54.000 -0.047 0.000 0.925 781 D CB 1.378 42.146 40.800 -0.054 0.000 1.145 781 D HN 0.461 nan 8.370 nan 0.000 0.542 782 I N 2.496 123.058 120.570 -0.014 0.000 3.176 782 I HA 0.085 4.254 4.170 -0.001 0.000 0.275 782 I C 1.440 177.549 176.117 -0.013 0.000 1.298 782 I CA 0.952 62.250 61.300 -0.003 0.000 1.445 782 I CB -0.245 37.773 38.000 0.030 0.000 1.075 782 I HN 0.619 nan 8.210 nan 0.000 0.482 783 G N 1.115 109.902 108.800 -0.022 0.000 2.672 783 G HA2 -0.470 3.490 3.960 -0.001 0.000 0.324 783 G HA3 -0.470 3.490 3.960 -0.001 0.000 0.324 783 G C 0.617 175.507 174.900 -0.018 0.000 1.286 783 G CA 0.641 45.722 45.100 -0.031 0.000 1.004 783 G HN 0.713 nan 8.290 nan 0.000 0.548 784 S N -0.137 115.549 115.700 -0.023 0.000 2.588 784 S HA 0.567 5.037 4.470 -0.001 0.000 0.245 784 S C 0.641 175.240 174.600 -0.001 0.000 1.021 784 S CA -0.069 58.126 58.200 -0.008 0.000 1.006 784 S CB 0.051 63.245 63.200 -0.009 0.000 0.830 784 S HN 0.664 nan 8.310 nan 0.000 0.468 785 L N 2.859 124.082 121.223 0.000 0.000 2.505 785 L HA 0.274 4.613 4.340 -0.001 0.000 0.279 785 L C -0.236 176.648 176.870 0.023 0.000 1.211 785 L CA -0.322 54.523 54.840 0.010 0.000 1.059 785 L CB -0.574 41.491 42.059 0.011 0.000 1.340 785 L HN 0.185 nan 8.230 nan 0.000 0.447 786 D N 2.819 123.232 120.400 0.022 0.000 2.400 786 D HA -0.010 4.629 4.640 -0.001 0.000 0.238 786 D C 0.690 177.013 176.300 0.038 0.000 1.157 786 D CA 0.262 54.280 54.000 0.029 0.000 0.889 786 D CB 0.339 41.154 40.800 0.025 0.000 1.199 786 D HN 0.321 nan 8.370 nan 0.000 0.436 787 N N 0.504 119.231 118.700 0.045 0.000 2.714 787 N HA -0.180 4.559 4.740 -0.001 0.000 0.252 787 N C -0.939 174.614 175.510 0.071 0.000 1.014 787 N CA 0.872 53.955 53.050 0.055 0.000 0.735 787 N CB -1.123 37.392 38.487 0.045 0.000 0.924 787 N HN 0.280 nan 8.380 nan 0.000 0.540 788 T N 0.371 114.971 114.554 0.077 0.000 2.893 788 T HA 0.425 4.775 4.350 -0.001 0.000 0.293 788 T C -0.228 174.541 174.700 0.115 0.000 1.027 788 T CA -0.717 61.440 62.100 0.096 0.000 0.988 788 T CB 2.352 71.261 68.868 0.069 0.000 1.043 788 T HN 0.021 nan 8.240 nan 0.000 0.461 789 E N 2.271 122.570 120.200 0.166 0.000 2.191 789 E HA 0.406 4.755 4.350 -0.001 0.000 0.263 789 E C -0.714 176.006 176.600 0.200 0.000 0.881 789 E CA -0.875 55.625 56.400 0.168 0.000 0.757 789 E CB 1.834 31.628 29.700 0.155 0.000 1.147 789 E HN 0.323 nan 8.360 nan 0.000 0.414 790 I N 3.019 123.689 120.570 0.168 0.000 2.331 790 I HA 0.252 4.421 4.170 -0.001 0.000 0.292 790 I C 0.048 176.300 176.117 0.224 0.000 0.998 790 I CA -0.579 60.831 61.300 0.183 0.000 1.267 790 I CB 1.233 39.332 38.000 0.165 0.000 1.386 790 I HN 0.278 nan 8.210 nan 0.000 0.476 791 V N 8.291 128.337 119.914 0.219 0.000 2.680 791 V HA 0.524 4.644 4.120 -0.001 0.000 0.309 791 V C -0.427 175.696 176.094 0.047 0.000 1.052 791 V CA -0.797 61.619 62.300 0.192 0.000 0.908 791 V CB 2.280 34.280 31.823 0.294 0.000 1.001 791 V HN 0.776 nan 8.190 nan 0.000 0.431 792 M N 7.296 126.854 119.600 -0.071 0.000 2.129 792 M HA 0.583 5.062 4.480 -0.001 0.000 0.348 792 M C -0.593 175.558 176.300 -0.249 0.000 1.116 792 M CA -0.420 54.610 55.300 -0.450 0.000 1.022 792 M CB 0.655 32.981 32.600 -0.457 0.000 1.599 792 M HN 0.767 nan 8.290 nan 0.000 0.449 793 R N 4.569 124.902 120.500 -0.278 0.000 2.711 793 R HA 0.715 5.054 4.340 -0.001 0.000 0.284 793 R C -1.979 174.222 176.300 -0.164 0.000 0.968 793 R CA -0.647 55.360 56.100 -0.156 0.000 0.924 793 R CB 1.579 31.807 30.300 -0.120 0.000 1.162 793 R HN 0.815 nan 8.270 nan 0.000 0.465 794 L N 3.106 124.218 121.223 -0.185 0.000 2.313 794 L HA 0.421 4.760 4.340 -0.001 0.000 0.283 794 L C -0.594 176.166 176.870 -0.184 0.000 1.013 794 L CA -0.435 54.224 54.840 -0.301 0.000 0.816 794 L CB 1.984 43.816 42.059 -0.378 0.000 1.236 794 L HN 0.617 nan 8.230 nan 0.000 0.419 795 E N 2.205 122.313 120.200 -0.153 0.000 2.145 795 E HA 0.470 4.820 4.350 -0.001 0.000 0.270 795 E C -0.572 175.972 176.600 -0.094 0.000 0.906 795 E CA -0.473 55.888 56.400 -0.064 0.000 0.761 795 E CB 2.009 31.719 29.700 0.016 0.000 1.116 795 E HN 0.607 nan 8.360 nan 0.000 0.408 796 T N -1.117 113.397 114.554 -0.067 0.000 2.831 796 T HA 0.332 4.681 4.350 -0.001 0.000 0.287 796 T C 0.199 174.926 174.700 0.045 0.000 1.070 796 T CA -0.686 61.345 62.100 -0.114 0.000 1.010 796 T CB 1.077 69.893 68.868 -0.087 0.000 1.264 796 T HN 0.583 nan 8.240 nan 0.000 0.532 797 H N -0.737 118.323 119.070 -0.017 0.000 2.542 797 H HA 0.415 4.971 4.556 -0.001 0.000 0.283 797 H C 0.173 175.501 175.328 -0.002 0.000 1.059 797 H CA -0.598 55.446 56.048 -0.007 0.000 1.162 797 H CB 0.121 29.879 29.762 -0.007 0.000 1.539 797 H HN 0.333 nan 8.280 nan 0.000 0.543 798 I N 1.899 122.527 120.570 0.097 0.000 2.752 798 I HA -0.142 4.027 4.170 -0.001 0.000 0.289 798 I C 0.531 176.691 176.117 0.070 0.000 1.197 798 I CA 0.415 61.755 61.300 0.067 0.000 1.432 798 I CB 0.389 38.419 38.000 0.050 0.000 1.359 798 I HN 0.195 nan 8.210 nan 0.000 0.571 799 D N 4.761 125.198 120.400 0.062 0.000 2.713 799 D HA 0.047 4.686 4.640 -0.001 0.000 0.229 799 D C 1.189 177.528 176.300 0.066 0.000 1.136 799 D CA -0.063 53.969 54.000 0.055 0.000 1.010 799 D CB 0.366 41.191 40.800 0.043 0.000 1.084 799 D HN 0.549 nan 8.370 nan 0.000 0.495 800 S N 0.364 116.109 115.700 0.076 0.000 2.501 800 S HA 0.259 4.728 4.470 -0.001 0.000 0.220 800 S C 1.583 176.235 174.600 0.087 0.000 0.997 800 S CA 0.279 58.538 58.200 0.099 0.000 0.919 800 S CB -0.108 63.163 63.200 0.118 0.000 0.778 800 S HN 0.530 nan 8.310 nan 0.000 0.523 801 G N 3.209 112.049 108.800 0.066 0.000 2.565 801 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.295 801 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.295 801 G C 0.133 175.074 174.900 0.068 0.000 1.165 801 G CA 0.557 45.691 45.100 0.057 0.000 0.977 801 G HN 0.751 nan 8.290 nan 0.000 0.546 802 D N 0.223 120.668 120.400 0.075 0.000 2.402 802 D HA 0.346 4.986 4.640 -0.001 0.000 0.216 802 D C 0.720 177.106 176.300 0.143 0.000 1.128 802 D CA -0.208 53.853 54.000 0.103 0.000 0.833 802 D CB 0.263 41.109 40.800 0.077 0.000 0.971 802 D HN 0.447 nan 8.370 nan 0.000 0.503 803 I N 1.438 122.076 120.570 0.114 0.000 2.437 803 I HA 0.501 4.671 4.170 -0.001 0.000 0.298 803 I C -0.242 175.968 176.117 0.156 0.000 0.984 803 I CA -1.065 60.252 61.300 0.028 0.000 1.214 803 I CB 0.632 38.612 38.000 -0.034 0.000 1.365 803 I HN -0.036 nan 8.210 nan 0.000 0.469 804 F N 4.308 124.074 119.950 -0.306 0.000 2.741 804 F HA 0.666 5.193 4.527 -0.001 0.000 0.313 804 F C -2.027 173.423 175.800 -0.584 0.000 1.153 804 F CA -1.464 56.388 58.000 -0.248 0.000 0.931 804 F CB 1.077 40.001 39.000 -0.127 0.000 1.335 804 F HN 0.182 nan 8.300 nan 0.000 0.460 805 Y N 0.066 120.117 120.300 -0.414 0.000 2.462 805 Y HA 0.708 5.257 4.550 -0.001 0.000 0.346 805 Y C 0.114 175.835 175.900 -0.299 0.000 0.976 805 Y CA -0.705 57.023 58.100 -0.620 0.000 1.044 805 Y CB 2.430 40.114 38.460 -1.293 0.000 1.230 805 Y HN 0.896 nan 8.280 nan 0.000 0.455 806 T N -1.453 113.027 114.554 -0.124 0.000 2.896 806 T HA 0.501 4.850 4.350 -0.001 0.000 0.297 806 T C -1.089 173.425 174.700 -0.310 0.000 1.108 806 T CA -1.079 60.973 62.100 -0.081 0.000 1.004 806 T CB 2.054 70.848 68.868 -0.123 0.000 1.159 806 T HN 0.570 nan 8.240 nan 0.000 0.499 807 D N 0.930 120.984 120.400 -0.576 0.000 2.332 807 D HA 0.395 5.035 4.640 -0.001 0.000 0.252 807 D C -0.610 175.423 176.300 -0.446 0.000 1.050 807 D CA -0.854 52.616 54.000 -0.883 0.000 0.970 807 D CB 1.254 41.293 40.800 -1.269 0.000 1.141 807 D HN 0.555 nan 8.370 nan 0.000 0.485 808 L N 0.787 121.792 121.223 -0.363 0.000 2.316 808 L HA 0.224 4.563 4.340 -0.001 0.000 0.280 808 L C -0.165 176.592 176.870 -0.188 0.000 1.006 808 L CA -0.760 53.965 54.840 -0.192 0.000 0.836 808 L CB 0.405 42.415 42.059 -0.081 0.000 1.221 808 L HN 0.452 nan 8.230 nan 0.000 0.418 809 N N 2.193 120.786 118.700 -0.178 0.000 2.714 809 N HA -0.227 4.512 4.740 -0.001 0.000 0.250 809 N C 0.978 176.279 175.510 -0.348 0.000 1.117 809 N CA 0.866 53.804 53.050 -0.187 0.000 0.719 809 N CB -1.014 37.444 38.487 -0.047 0.000 1.081 809 N HN 1.075 nan 8.380 nan 0.000 0.557 810 G N -1.533 107.069 108.800 -0.330 0.000 2.166 810 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.260 810 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.260 810 G C 0.630 175.528 174.900 -0.005 0.000 0.986 810 G CA 0.709 45.643 45.100 -0.276 0.000 0.683 810 G HN 0.503 nan 8.290 nan 0.000 0.527 811 L N -0.447 120.716 121.223 -0.099 0.000 2.467 811 L HA 0.503 4.842 4.340 -0.001 0.000 0.213 811 L C 0.957 177.729 176.870 -0.164 0.000 1.053 811 L CA 1.876 56.580 54.840 -0.227 0.000 0.847 811 L CB 0.159 41.929 42.059 -0.482 0.000 1.075 811 L HN 0.691 nan 8.230 nan 0.000 0.479 812 Q N -1.821 117.885 119.800 -0.157 0.000 2.522 812 Q HA 0.355 4.694 4.340 -0.001 0.000 0.285 812 Q C -1.672 174.226 176.000 -0.171 0.000 0.982 812 Q CA -0.758 55.021 55.803 -0.040 0.000 0.805 812 Q CB 1.125 29.895 28.738 0.054 0.000 1.457 812 Q HN -0.044 nan 8.270 nan 0.000 0.394 813 F N 1.163 121.088 119.950 -0.041 0.000 2.458 813 F HA 0.622 5.148 4.527 -0.001 0.000 0.336 813 F C -0.224 175.552 175.800 -0.040 0.000 1.114 813 F CA -0.849 57.136 58.000 -0.025 0.000 0.987 813 F CB 1.759 40.791 39.000 0.053 0.000 1.130 813 F HN 0.534 nan 8.300 nan 0.000 0.458 814 I N 3.670 124.246 120.570 0.010 0.000 2.530 814 I HA 0.349 4.518 4.170 -0.001 0.000 0.297 814 I C -0.610 175.360 176.117 -0.246 0.000 1.011 814 I CA -0.909 60.345 61.300 -0.077 0.000 1.107 814 I CB 1.380 39.285 38.000 -0.160 0.000 1.285 814 I HN 0.512 nan 8.210 nan 0.000 0.436 815 K N 6.789 126.993 120.400 -0.327 0.000 2.368 815 K HA 0.274 4.594 4.320 -0.001 0.000 0.282 815 K C -0.862 175.260 176.600 -0.797 0.000 1.035 815 K CA -0.355 55.440 56.287 -0.821 0.000 0.973 815 K CB 0.522 32.693 32.500 -0.549 0.000 0.957 815 K HN 0.504 nan 8.250 nan 0.000 0.474 816 R N 3.320 123.163 120.500 -1.094 0.000 2.664 816 R HA 0.355 4.694 4.340 -0.001 0.000 0.286 816 R C -0.525 175.262 176.300 -0.855 0.000 0.967 816 R CA -0.804 54.586 56.100 -1.183 0.000 0.933 816 R CB 1.553 30.573 30.300 -2.133 0.000 1.146 816 R HN 0.675 nan 8.270 nan 0.000 0.468 817 R N 1.608 121.831 120.500 -0.461 0.000 2.451 817 R HA 0.282 4.621 4.340 -0.001 0.000 0.307 817 R C -0.530 175.819 176.300 0.082 0.000 0.965 817 R CA -0.655 55.358 56.100 -0.145 0.000 0.865 817 R CB 1.490 31.743 30.300 -0.078 0.000 1.174 817 R HN 0.549 nan 8.270 nan 0.000 0.455 818 R N 4.783 125.443 120.500 0.267 0.000 2.522 818 R HA 0.102 4.442 4.340 -0.001 0.000 0.284 818 R C -0.901 175.486 176.300 0.146 0.000 1.032 818 R CA 0.283 56.567 56.100 0.307 0.000 1.049 818 R CB 0.408 30.861 30.300 0.254 0.000 0.956 818 R HN 0.547 nan 8.270 nan 0.000 0.422 819 L N 5.070 126.356 121.223 0.104 0.000 2.342 819 L HA 0.216 4.555 4.340 -0.001 0.000 0.276 819 L C 0.131 176.992 176.870 -0.014 0.000 0.997 819 L CA -0.674 54.181 54.840 0.025 0.000 0.838 819 L CB 1.939 43.979 42.059 -0.032 0.000 1.224 819 L HN 0.664 nan 8.230 nan 0.000 0.416 820 D N 1.637 122.036 120.400 -0.001 0.000 2.348 820 D HA -0.112 4.528 4.640 -0.001 0.000 0.216 820 D C 1.675 177.956 176.300 -0.031 0.000 0.970 820 D CA 0.757 54.750 54.000 -0.010 0.000 0.889 820 D CB 0.363 41.167 40.800 0.006 0.000 0.912 820 D HN 0.560 nan 8.370 nan 0.000 0.524 821 K N 0.268 120.641 120.400 -0.044 0.000 2.486 821 K HA 0.021 4.340 4.320 -0.001 0.000 0.194 821 K C 0.671 177.209 176.600 -0.103 0.000 1.033 821 K CA 0.343 56.602 56.287 -0.048 0.000 1.004 821 K CB 0.323 32.811 32.500 -0.020 0.000 0.798 821 K HN 0.105 nan 8.250 nan 0.000 0.495 822 L N 2.352 123.475 121.223 -0.167 0.000 2.330 822 L HA 0.459 4.799 4.340 -0.001 0.000 0.271 822 L C -2.267 174.494 176.870 -0.182 0.000 1.013 822 L CA -2.923 51.776 54.840 -0.235 0.000 0.816 822 L CB 1.371 43.186 42.059 -0.407 0.000 1.287 822 L HN -0.065 nan 8.230 nan 0.000 0.435 823 P HA 0.014 nan 4.420 nan 0.000 0.272 823 P C 0.878 178.046 177.300 -0.220 0.000 1.230 823 P CA -0.319 62.681 63.100 -0.166 0.000 0.788 823 P CB 1.249 32.881 31.700 -0.114 0.000 0.949 824 L N 1.076 122.200 121.223 -0.164 0.000 2.021 824 L HA -0.287 4.052 4.340 -0.001 0.000 0.215 824 L C 2.490 179.261 176.870 -0.165 0.000 1.074 824 L CA 1.933 56.697 54.840 -0.126 0.000 0.760 824 L CB -0.591 41.383 42.059 -0.142 0.000 0.889 824 L HN 0.443 nan 8.230 nan 0.000 0.433 825 Q N -0.457 119.142 119.800 -0.334 0.000 2.291 825 Q HA -0.148 4.191 4.340 -0.001 0.000 0.205 825 Q C 1.881 177.776 176.000 -0.176 0.000 0.970 825 Q CA 1.429 57.076 55.803 -0.260 0.000 0.876 825 Q CB -0.506 28.018 28.738 -0.357 0.000 0.935 825 Q HN 0.599 nan 8.270 nan 0.000 0.455 826 A N 1.501 123.991 122.820 -0.550 0.000 2.067 826 A HA -0.042 4.278 4.320 -0.001 0.000 0.217 826 A C 1.655 179.045 177.584 -0.324 0.000 1.156 826 A CA 0.764 52.307 52.037 -0.823 0.000 0.683 826 A CB -0.195 17.929 19.000 -1.459 0.000 0.808 826 A HN 0.340 nan 8.150 nan 0.000 0.455 827 N N -1.161 117.463 118.700 -0.127 0.000 2.336 827 N HA 0.054 4.794 4.740 -0.001 0.000 0.189 827 N C -0.832 174.766 175.510 0.146 0.000 1.113 827 N CA 0.182 53.277 53.050 0.075 0.000 0.858 827 N CB 0.060 38.646 38.487 0.164 0.000 0.970 827 N HN 0.449 nan 8.380 nan 0.000 0.471 828 Y N 0.276 120.524 120.300 -0.086 0.000 2.319 828 Y HA 0.192 4.741 4.550 -0.001 0.000 0.328 828 Y C -0.164 175.667 175.900 -0.115 0.000 1.133 828 Y CA -0.060 58.072 58.100 0.053 0.000 1.265 828 Y CB 0.373 38.931 38.460 0.164 0.000 1.218 828 Y HN -0.063 nan 8.280 nan 0.000 0.508 829 Y N 2.964 123.417 120.300 0.255 0.000 2.609 829 Y HA 0.446 4.996 4.550 -0.001 0.000 0.342 829 Y C -2.326 173.293 175.900 -0.468 0.000 1.058 829 Y CA -2.881 55.233 58.100 0.022 0.000 1.055 829 Y CB 1.550 39.999 38.460 -0.018 0.000 1.292 829 Y HN 0.435 nan 8.280 nan 0.000 0.476 830 P HA 0.132 nan 4.420 nan 0.000 0.271 830 P C -0.656 176.403 177.300 -0.402 0.000 1.216 830 P CA 0.215 62.709 63.100 -1.011 0.000 0.776 830 P CB 0.546 31.577 31.700 -1.115 0.000 0.881 831 I N 5.047 125.464 120.570 -0.255 0.000 2.692 831 I HA 0.166 4.336 4.170 -0.001 0.000 0.285 831 I C -1.621 174.428 176.117 -0.113 0.000 1.191 831 I CA -2.587 58.640 61.300 -0.122 0.000 1.128 831 I CB 0.581 38.567 38.000 -0.022 0.000 1.585 831 I HN 0.208 nan 8.210 nan 0.000 0.558 832 P HA -0.079 nan 4.420 nan 0.000 0.220 832 P C 0.982 178.256 177.300 -0.044 0.000 1.148 832 P CA 1.307 64.337 63.100 -0.117 0.000 0.803 832 P CB 0.558 32.160 31.700 -0.164 0.000 0.782 833 S N -3.835 111.847 115.700 -0.031 0.000 2.475 833 S HA 0.446 4.916 4.470 -0.001 0.000 0.270 833 S C 0.493 175.193 174.600 0.166 0.000 1.026 833 S CA 0.238 58.479 58.200 0.068 0.000 1.437 833 S CB 0.230 63.495 63.200 0.108 0.000 1.215 833 S HN 0.349 nan 8.310 nan 0.000 0.648 834 G N 1.634 110.539 108.800 0.175 0.000 2.489 834 G HA2 0.569 4.528 3.960 -0.001 0.000 0.291 834 G HA3 0.569 4.528 3.960 -0.001 0.000 0.291 834 G C -1.430 173.741 174.900 0.453 0.000 1.487 834 G CA -0.430 44.906 45.100 0.392 0.000 0.795 834 G HN 0.890 nan 8.290 nan 0.000 0.513 835 M N -0.431 119.449 119.600 0.468 0.000 2.578 835 M HA 0.897 5.376 4.480 -0.001 0.000 0.276 835 M C -1.779 174.772 176.300 0.419 0.000 1.245 835 M CA -1.032 54.501 55.300 0.388 0.000 0.871 835 M CB 2.576 35.308 32.600 0.220 0.000 1.722 835 M HN 1.249 nan 8.290 nan 0.000 0.473 836 F N 0.876 120.974 119.950 0.247 0.000 2.693 836 F HA 0.885 5.411 4.527 -0.001 0.000 0.309 836 F C -1.952 173.983 175.800 0.226 0.000 1.129 836 F CA -1.201 56.884 58.000 0.142 0.000 0.948 836 F CB 1.077 40.073 39.000 -0.007 0.000 1.315 836 F HN 0.778 nan 8.300 nan 0.000 0.447 837 I N 0.010 120.824 120.570 0.407 0.000 2.689 837 I HA 0.885 5.054 4.170 -0.001 0.000 0.299 837 I C -1.344 174.965 176.117 0.319 0.000 1.059 837 I CA -0.852 60.646 61.300 0.330 0.000 1.055 837 I CB 2.353 40.463 38.000 0.182 0.000 1.243 837 I HN 0.945 nan 8.210 nan 0.000 0.425 838 E N 2.318 122.693 120.200 0.290 0.000 2.430 838 E HA 0.584 4.934 4.350 -0.001 0.000 0.279 838 E C -2.012 174.673 176.600 0.142 0.000 1.003 838 E CA -0.848 55.662 56.400 0.184 0.000 0.801 838 E CB 2.226 32.024 29.700 0.163 0.000 1.313 838 E HN 0.725 nan 8.360 nan 0.000 0.459 839 D N 0.331 120.783 120.400 0.087 0.000 2.784 839 D HA 0.448 5.087 4.640 -0.001 0.000 0.256 839 D C 0.843 177.173 176.300 0.051 0.000 1.129 839 D CA -0.230 53.814 54.000 0.073 0.000 1.102 839 D CB -0.053 40.781 40.800 0.057 0.000 1.330 839 D HN 0.451 nan 8.370 nan 0.000 0.626 840 A N -0.774 122.069 122.820 0.038 0.000 2.019 840 A HA -0.151 4.168 4.320 -0.001 0.000 0.219 840 A C 1.447 179.037 177.584 0.009 0.000 1.164 840 A CA 1.510 53.561 52.037 0.024 0.000 0.644 840 A CB -0.695 18.317 19.000 0.021 0.000 0.805 840 A HN 0.500 nan 8.150 nan 0.000 0.449 841 N N -1.878 116.827 118.700 0.007 0.000 2.445 841 N HA 0.068 4.808 4.740 -0.001 0.000 0.204 841 N C -0.398 175.101 175.510 -0.018 0.000 1.098 841 N CA 0.711 53.757 53.050 -0.007 0.000 0.859 841 N CB 0.622 39.107 38.487 -0.003 0.000 1.249 841 N HN 0.281 nan 8.380 nan 0.000 0.462 842 T N 0.756 115.305 114.554 -0.008 0.000 2.876 842 T HA 0.465 4.815 4.350 -0.001 0.000 0.289 842 T C -0.483 174.210 174.700 -0.013 0.000 1.014 842 T CA -0.619 61.470 62.100 -0.019 0.000 0.986 842 T CB 2.798 71.659 68.868 -0.011 0.000 1.021 842 T HN -0.030 nan 8.240 nan 0.000 0.458 843 R N 1.955 122.429 120.500 -0.043 0.000 2.686 843 R HA 0.738 5.077 4.340 -0.001 0.000 0.286 843 R C -1.927 174.347 176.300 -0.042 0.000 0.969 843 R CA -0.905 55.172 56.100 -0.039 0.000 0.898 843 R CB 1.265 31.474 30.300 -0.153 0.000 1.183 843 R HN 0.455 nan 8.270 nan 0.000 0.456 844 L N 2.465 123.694 121.223 0.010 0.000 2.349 844 L HA 0.510 4.849 4.340 -0.001 0.000 0.278 844 L C -1.353 175.549 176.870 0.053 0.000 0.996 844 L CA 0.095 54.931 54.840 -0.007 0.000 0.825 844 L CB 2.316 44.361 42.059 -0.024 0.000 1.243 844 L HN 0.638 nan 8.230 nan 0.000 0.412 845 T N 5.746 120.311 114.554 0.017 0.000 2.807 845 T HA 0.569 4.919 4.350 -0.001 0.000 0.279 845 T C -1.084 173.678 174.700 0.103 0.000 0.993 845 T CA -0.251 61.901 62.100 0.086 0.000 0.970 845 T CB 1.371 70.213 68.868 -0.043 0.000 0.950 845 T HN 0.495 nan 8.240 nan 0.000 0.441 846 L N 5.179 126.502 121.223 0.167 0.000 2.294 846 L HA 0.542 4.882 4.340 -0.001 0.000 0.283 846 L C -1.294 175.727 176.870 0.252 0.000 1.015 846 L CA -0.683 54.267 54.840 0.183 0.000 0.831 846 L CB 0.458 42.603 42.059 0.143 0.000 1.217 846 L HN 0.395 nan 8.230 nan 0.000 0.420 847 L N 3.864 125.237 121.223 0.250 0.000 2.343 847 L HA 0.661 5.000 4.340 -0.001 0.000 0.275 847 L C 0.557 177.576 176.870 0.249 0.000 1.056 847 L CA -0.194 54.790 54.840 0.239 0.000 0.804 847 L CB 1.470 43.634 42.059 0.176 0.000 1.203 847 L HN 0.795 nan 8.230 nan 0.000 0.440 848 T N -2.431 112.218 114.554 0.159 0.000 2.907 848 T HA 0.626 4.975 4.350 -0.001 0.000 0.292 848 T C 0.596 175.255 174.700 -0.068 0.000 1.043 848 T CA -0.278 61.823 62.100 0.001 0.000 1.003 848 T CB 1.939 70.813 68.868 0.010 0.000 1.084 848 T HN 0.660 nan 8.240 nan 0.000 0.483 849 G N 1.015 109.699 108.800 -0.194 0.000 3.337 849 G HA2 0.431 4.390 3.960 -0.001 0.000 0.246 849 G HA3 0.431 4.390 3.960 -0.001 0.000 0.246 849 G C 0.157 174.994 174.900 -0.105 0.000 1.131 849 G CA -0.311 44.716 45.100 -0.122 0.000 0.773 849 G HN 0.953 nan 8.290 nan 0.000 0.544 850 Q N -0.252 119.478 119.800 -0.116 0.000 2.527 850 Q HA 0.346 4.686 4.340 -0.001 0.000 0.280 850 Q C -3.543 172.422 176.000 -0.057 0.000 0.977 850 Q CA -2.264 53.499 55.803 -0.067 0.000 0.837 850 Q CB 1.810 30.527 28.738 -0.035 0.000 1.454 850 Q HN -0.012 nan 8.270 nan 0.000 0.387 851 P HA 0.529 nan 4.420 nan 0.000 0.285 851 P C -0.704 176.585 177.300 -0.018 0.000 1.259 851 P CA -0.259 62.825 63.100 -0.027 0.000 0.794 851 P CB 1.167 32.854 31.700 -0.021 0.000 0.940 852 L N 1.468 122.675 121.223 -0.026 0.000 2.403 852 L HA 0.695 5.035 4.340 -0.001 0.000 0.253 852 L C 0.707 177.594 176.870 0.028 0.000 1.045 852 L CA -1.093 53.754 54.840 0.011 0.000 0.845 852 L CB 2.148 44.201 42.059 -0.010 0.000 1.447 852 L HN 0.356 nan 8.230 nan 0.000 0.411 853 G N -1.029 107.841 108.800 0.118 0.000 2.412 853 G HA2 0.707 4.666 3.960 -0.001 0.000 0.318 853 G HA3 0.707 4.666 3.960 -0.001 0.000 0.318 853 G C -0.585 174.344 174.900 0.048 0.000 1.146 853 G CA 0.006 45.224 45.100 0.196 0.000 0.882 853 G HN 0.864 nan 8.290 nan 0.000 0.501 854 G N -1.496 107.167 108.800 -0.230 0.000 2.606 854 G HA2 0.695 4.654 3.960 -0.001 0.000 0.300 854 G HA3 0.695 4.654 3.960 -0.001 0.000 0.300 854 G C -1.131 173.307 174.900 -0.769 0.000 1.360 854 G CA 0.471 45.218 45.100 -0.589 0.000 0.783 854 G HN 1.311 nan 8.290 nan 0.000 0.484 855 S N -1.982 113.332 115.700 -0.643 0.000 2.694 855 S HA 0.716 5.185 4.470 -0.001 0.000 0.273 855 S C -1.596 172.563 174.600 -0.734 0.000 1.180 855 S CA 0.373 58.215 58.200 -0.598 0.000 0.864 855 S CB 1.208 64.112 63.200 -0.493 0.000 1.198 855 S HN 1.536 nan 8.310 nan 0.000 0.499 856 S N 1.516 116.503 115.700 -1.188 0.000 2.664 856 S HA 0.468 4.937 4.470 -0.001 0.000 0.262 856 S C 0.142 174.475 174.600 -0.446 0.000 1.229 856 S CA -0.616 57.120 58.200 -0.772 0.000 1.151 856 S CB -0.099 62.574 63.200 -0.879 0.000 1.054 856 S HN 0.563 nan 8.310 nan 0.000 0.483 857 L N 2.936 124.045 121.223 -0.190 0.000 2.591 857 L HA 0.478 4.817 4.340 -0.001 0.000 0.228 857 L C 0.882 177.740 176.870 -0.021 0.000 1.133 857 L CA 0.291 55.100 54.840 -0.051 0.000 0.880 857 L CB -0.065 42.026 42.059 0.054 0.000 1.033 857 L HN 0.676 nan 8.230 nan 0.000 0.450 858 A N -1.168 121.628 122.820 -0.040 0.000 2.604 858 A HA 0.464 4.783 4.320 -0.001 0.000 0.295 858 A C -0.446 177.133 177.584 -0.008 0.000 1.067 858 A CA -0.453 51.580 52.037 -0.007 0.000 0.683 858 A CB 1.222 20.225 19.000 0.006 0.000 1.281 858 A HN -0.128 nan 8.150 nan 0.000 0.407 859 S N -0.021 115.688 115.700 0.015 0.000 2.558 859 S HA 0.405 4.875 4.470 -0.001 0.000 0.293 859 S C 1.519 176.136 174.600 0.029 0.000 1.292 859 S CA 1.780 59.997 58.200 0.028 0.000 1.063 859 S CB 0.031 63.251 63.200 0.034 0.000 0.831 859 S HN 2.676 nan 8.310 nan 0.000 0.499 860 G N 3.209 112.030 108.800 0.036 0.000 2.184 860 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.264 860 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.264 860 G C -0.136 174.764 174.900 -0.001 0.000 0.975 860 G CA 0.570 45.691 45.100 0.036 0.000 0.642 860 G HN 0.736 nan 8.290 nan 0.000 0.536 861 E N -0.679 119.503 120.200 -0.029 0.000 2.222 861 E HA 0.797 5.147 4.350 -0.001 0.000 0.267 861 E C -0.218 176.318 176.600 -0.106 0.000 0.963 861 E CA -0.785 55.575 56.400 -0.066 0.000 0.837 861 E CB 1.783 31.444 29.700 -0.065 0.000 1.183 861 E HN 0.226 nan 8.360 nan 0.000 0.403 862 L N 1.570 122.724 121.223 -0.115 0.000 2.422 862 L HA 0.448 4.787 4.340 -0.001 0.000 0.264 862 L C -0.756 176.041 176.870 -0.121 0.000 0.984 862 L CA -0.610 54.154 54.840 -0.128 0.000 0.819 862 L CB 2.107 44.122 42.059 -0.074 0.000 1.330 862 L HN 0.675 nan 8.230 nan 0.000 0.410 863 E N 3.173 123.292 120.200 -0.135 0.000 2.390 863 E HA 0.742 5.092 4.350 -0.001 0.000 0.277 863 E C -1.543 175.007 176.600 -0.082 0.000 0.939 863 E CA -0.872 55.482 56.400 -0.077 0.000 0.769 863 E CB 3.448 33.146 29.700 -0.003 0.000 1.251 863 E HN 0.532 nan 8.360 nan 0.000 0.450 864 I N 1.987 122.549 120.570 -0.013 0.000 2.649 864 I HA 0.297 4.467 4.170 -0.001 0.000 0.289 864 I C -1.490 174.690 176.117 0.105 0.000 1.222 864 I CA -1.091 60.223 61.300 0.023 0.000 1.046 864 I CB 1.943 39.961 38.000 0.029 0.000 1.272 864 I HN 0.801 nan 8.210 nan 0.000 0.425 865 M N 6.466 126.167 119.600 0.169 0.000 2.228 865 M HA 0.201 4.681 4.480 -0.001 0.000 0.351 865 M C 0.596 176.994 176.300 0.163 0.000 1.233 865 M CA 0.666 56.073 55.300 0.178 0.000 1.129 865 M CB 0.870 33.548 32.600 0.131 0.000 1.604 865 M HN 0.581 nan 8.290 nan 0.000 0.457 866 Q N 1.567 121.498 119.800 0.219 0.000 2.304 866 Q HA 0.243 4.582 4.340 -0.001 0.000 0.204 866 Q C -0.244 175.961 176.000 0.343 0.000 0.936 866 Q CA 0.839 56.837 55.803 0.326 0.000 0.878 866 Q CB 0.360 29.322 28.738 0.372 0.000 0.983 866 Q HN 0.762 nan 8.270 nan 0.000 0.516 867 D N -0.895 119.638 120.400 0.223 0.000 2.694 867 D HA 0.272 4.912 4.640 -0.001 0.000 0.260 867 D C -1.423 174.951 176.300 0.122 0.000 1.250 867 D CA -0.469 53.639 54.000 0.180 0.000 0.763 867 D CB 1.476 42.370 40.800 0.156 0.000 1.311 867 D HN 0.040 nan 8.370 nan 0.000 0.420 868 R N 0.845 121.405 120.500 0.099 0.000 2.584 868 R HA 0.693 5.032 4.340 -0.001 0.000 0.276 868 R C -1.016 175.328 176.300 0.074 0.000 1.046 868 R CA -1.066 55.078 56.100 0.073 0.000 0.906 868 R CB 2.190 32.507 30.300 0.028 0.000 1.215 868 R HN 0.319 nan 8.270 nan 0.000 0.449 869 R N 3.736 124.277 120.500 0.068 0.000 2.473 869 R HA 0.442 4.782 4.340 -0.001 0.000 0.303 869 R C -1.481 174.853 176.300 0.056 0.000 1.002 869 R CA -0.550 55.586 56.100 0.060 0.000 0.884 869 R CB 1.237 31.568 30.300 0.052 0.000 1.173 869 R HN 0.709 nan 8.270 nan 0.000 0.464 870 L N 4.069 125.324 121.223 0.053 0.000 2.356 870 L HA 0.528 4.868 4.340 -0.001 0.000 0.277 870 L C 0.873 177.768 176.870 0.041 0.000 0.996 870 L CA -0.563 54.306 54.840 0.049 0.000 0.822 870 L CB 2.109 44.198 42.059 0.049 0.000 1.256 870 L HN 0.811 nan 8.230 nan 0.000 0.413 871 A N 1.761 124.603 122.820 0.036 0.000 2.016 871 A HA 0.100 4.419 4.320 -0.001 0.000 0.217 871 A C 0.994 178.595 177.584 0.029 0.000 1.162 871 A CA 0.746 52.801 52.037 0.030 0.000 0.662 871 A CB -0.027 18.988 19.000 0.026 0.000 0.812 871 A HN 0.628 nan 8.150 nan 0.000 0.450 872 S N -0.239 115.478 115.700 0.029 0.000 2.651 872 S HA 0.423 4.892 4.470 -0.001 0.000 0.291 872 S C -0.603 174.017 174.600 0.033 0.000 1.141 872 S CA -0.664 57.552 58.200 0.026 0.000 1.027 872 S CB 1.465 64.676 63.200 0.019 0.000 1.043 872 S HN 0.488 nan 8.310 nan 0.000 0.530 873 D N 0.196 120.616 120.400 0.034 0.000 2.304 873 D HA 0.229 4.868 4.640 -0.001 0.000 0.247 873 D C -0.204 176.118 176.300 0.037 0.000 1.089 873 D CA -0.439 53.590 54.000 0.049 0.000 0.910 873 D CB 0.676 41.505 40.800 0.048 0.000 1.199 873 D HN 0.490 nan 8.370 nan 0.000 0.426 874 D N 2.052 122.480 120.400 0.047 0.000 2.525 874 D HA 0.069 4.708 4.640 -0.001 0.000 0.229 874 D C -0.360 175.914 176.300 -0.043 0.000 1.202 874 D CA -0.301 53.697 54.000 -0.004 0.000 0.828 874 D CB -0.409 40.377 40.800 -0.023 0.000 1.008 874 D HN 0.663 nan 8.370 nan 0.000 0.493 875 E N -0.168 120.030 120.200 -0.004 0.000 2.637 875 E HA -0.220 4.130 4.350 -0.001 0.000 0.265 875 E C 0.225 176.798 176.600 -0.046 0.000 1.073 875 E CA 0.200 56.593 56.400 -0.013 0.000 0.778 875 E CB -0.716 28.970 29.700 -0.022 0.000 1.362 875 E HN 0.271 nan 8.360 nan 0.000 0.413 876 R N -0.615 119.835 120.500 -0.083 0.000 2.543 876 R HA 0.208 4.547 4.340 -0.001 0.000 0.323 876 R C 1.363 177.733 176.300 0.117 0.000 1.002 876 R CA 0.677 56.655 56.100 -0.202 0.000 1.106 876 R CB 1.100 30.839 30.300 -0.935 0.000 1.280 876 R HN 0.397 nan 8.270 nan 0.000 0.549 877 G N 0.859 109.807 108.800 0.246 0.000 2.218 877 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.216 877 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.216 877 G C 0.737 175.808 174.900 0.285 0.000 0.994 877 G CA 0.222 45.565 45.100 0.405 0.000 0.637 877 G HN 0.291 nan 8.290 nan 0.000 0.505 878 L N 1.466 122.933 121.223 0.406 0.000 2.093 878 L HA 0.449 4.788 4.340 -0.001 0.000 0.208 878 L C 2.198 179.075 176.870 0.010 0.000 1.085 878 L CA 2.748 57.710 54.840 0.204 0.000 0.755 878 L CB -0.608 41.695 42.059 0.406 0.000 0.904 878 L HN 1.716 nan 8.230 nan 0.000 0.435 879 G N -0.477 108.360 108.800 0.061 0.000 2.160 879 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.251 879 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.251 879 G C 0.072 174.984 174.900 0.021 0.000 1.008 879 G CA 0.643 45.755 45.100 0.020 0.000 0.724 879 G HN 0.798 nan 8.290 nan 0.000 0.514 880 Q N -2.269 117.558 119.800 0.045 0.000 2.687 880 Q HA 0.674 5.013 4.340 -0.001 0.000 0.295 880 Q C 0.360 176.391 176.000 0.052 0.000 0.920 880 Q CA -0.614 55.212 55.803 0.039 0.000 0.766 880 Q CB 0.381 29.138 28.738 0.032 0.000 1.467 880 Q HN 0.959 nan 8.270 nan 0.000 0.415 881 G N -0.015 108.811 108.800 0.044 0.000 2.630 881 G HA2 0.542 4.501 3.960 -0.001 0.000 0.223 881 G HA3 0.542 4.501 3.960 -0.001 0.000 0.223 881 G C -0.990 173.940 174.900 0.050 0.000 1.434 881 G CA -0.650 44.478 45.100 0.047 0.000 1.057 881 G HN 0.397 nan 8.290 nan 0.000 0.570 882 V N 0.965 120.910 119.914 0.051 0.000 2.305 882 V HA 0.352 4.471 4.120 -0.001 0.000 0.275 882 V C 0.040 176.168 176.094 0.057 0.000 1.020 882 V CA -0.140 62.196 62.300 0.060 0.000 0.811 882 V CB 0.881 32.743 31.823 0.065 0.000 1.031 882 V HN 0.525 nan 8.190 nan 0.000 0.439 883 L N 3.224 124.479 121.223 0.053 0.000 3.229 883 L HA 0.314 4.653 4.340 -0.001 0.000 0.286 883 L C 0.656 177.553 176.870 0.044 0.000 1.239 883 L CA 0.019 54.885 54.840 0.044 0.000 1.035 883 L CB 0.690 42.770 42.059 0.034 0.000 1.408 883 L HN 0.660 nan 8.230 nan 0.000 0.593 884 D N -1.995 118.440 120.400 0.058 0.000 2.525 884 D HA 0.047 4.687 4.640 -0.001 0.000 0.229 884 D C 0.137 176.476 176.300 0.065 0.000 1.202 884 D CA -0.444 53.591 54.000 0.058 0.000 0.828 884 D CB -0.433 40.409 40.800 0.069 0.000 1.008 884 D HN 0.080 nan 8.370 nan 0.000 0.493 885 N N 1.625 120.361 118.700 0.060 0.000 2.395 885 N HA 0.092 4.832 4.740 -0.001 0.000 0.246 885 N C 0.188 175.706 175.510 0.014 0.000 1.246 885 N CA 0.400 53.485 53.050 0.059 0.000 0.879 885 N CB 0.662 39.180 38.487 0.052 0.000 1.098 885 N HN 0.327 nan 8.380 nan 0.000 0.444 886 K N -0.090 120.306 120.400 -0.008 0.000 2.512 886 K HA 0.568 4.888 4.320 -0.001 0.000 0.263 886 K C -3.214 173.355 176.600 -0.052 0.000 0.966 886 K CA -2.067 54.170 56.287 -0.084 0.000 0.851 886 K CB 1.251 33.611 32.500 -0.233 0.000 1.395 886 K HN 0.112 nan 8.250 nan 0.000 0.440 887 P HA -0.038 nan 4.420 nan 0.000 0.262 887 P C -1.002 176.314 177.300 0.027 0.000 1.182 887 P CA -0.361 62.716 63.100 -0.039 0.000 0.761 887 P CB 0.725 32.391 31.700 -0.057 0.000 0.795 888 V N 5.298 125.198 119.914 -0.023 0.000 2.789 888 V HA 0.498 4.618 4.120 -0.001 0.000 0.311 888 V C -1.313 174.659 176.094 -0.202 0.000 1.073 888 V CA -1.127 61.146 62.300 -0.044 0.000 0.921 888 V CB 2.134 33.910 31.823 -0.078 0.000 1.009 888 V HN 0.265 nan 8.190 nan 0.000 0.426 889 L N 6.827 127.955 121.223 -0.157 0.000 2.272 889 L HA 0.593 4.933 4.340 -0.001 0.000 0.284 889 L C -0.389 176.467 176.870 -0.023 0.000 1.045 889 L CA 0.127 54.908 54.840 -0.099 0.000 0.842 889 L CB 0.326 42.347 42.059 -0.064 0.000 1.224 889 L HN 0.711 nan 8.230 nan 0.000 0.430 890 H N 5.674 124.766 119.070 0.037 0.000 2.525 890 H HA 0.503 5.059 4.556 -0.001 0.000 0.339 890 H C -0.136 175.102 175.328 -0.151 0.000 1.109 890 H CA -0.203 55.814 56.048 -0.051 0.000 1.352 890 H CB 1.271 31.083 29.762 0.082 0.000 1.461 890 H HN 0.686 nan 8.280 nan 0.000 0.533 891 I N 0.155 120.564 120.570 -0.268 0.000 2.689 891 I HA 0.609 4.779 4.170 -0.001 0.000 0.299 891 I C -1.408 174.348 176.117 -0.601 0.000 1.059 891 I CA -0.949 60.207 61.300 -0.239 0.000 1.055 891 I CB 2.175 40.128 38.000 -0.078 0.000 1.243 891 I HN 0.235 nan 8.210 nan 0.000 0.425 892 Y N 2.253 122.607 120.300 0.089 0.000 2.655 892 Y HA 0.702 5.251 4.550 -0.001 0.000 0.336 892 Y C -0.629 175.328 175.900 0.096 0.000 1.154 892 Y CA -1.098 57.062 58.100 0.099 0.000 1.055 892 Y CB 1.492 40.033 38.460 0.135 0.000 1.295 892 Y HN 0.412 nan 8.280 nan 0.000 0.465 893 R N 1.356 122.023 120.500 0.280 0.000 2.621 893 R HA 0.586 4.926 4.340 -0.001 0.000 0.292 893 R C -1.929 174.489 176.300 0.196 0.000 0.969 893 R CA -1.093 55.121 56.100 0.191 0.000 0.887 893 R CB 2.454 32.824 30.300 0.117 0.000 1.180 893 R HN 0.647 nan 8.270 nan 0.000 0.450 894 L N 2.878 124.197 121.223 0.160 0.000 2.316 894 L HA 0.431 4.771 4.340 -0.001 0.000 0.280 894 L C -1.186 175.714 176.870 0.049 0.000 1.006 894 L CA -0.556 54.351 54.840 0.112 0.000 0.836 894 L CB 1.752 43.886 42.059 0.125 0.000 1.221 894 L HN 0.299 nan 8.230 nan 0.000 0.418 895 V N 6.221 126.147 119.914 0.021 0.000 2.334 895 V HA 0.414 4.533 4.120 -0.001 0.000 0.281 895 V C -0.332 175.734 176.094 -0.046 0.000 1.016 895 V CA -0.581 61.710 62.300 -0.015 0.000 0.832 895 V CB 1.405 33.211 31.823 -0.028 0.000 0.999 895 V HN 0.644 nan 8.190 nan 0.000 0.439 896 L N 5.546 126.737 121.223 -0.053 0.000 2.282 896 L HA 0.712 5.051 4.340 -0.001 0.000 0.288 896 L C -0.190 176.638 176.870 -0.071 0.000 1.033 896 L CA 0.616 55.415 54.840 -0.068 0.000 0.807 896 L CB 1.195 43.209 42.059 -0.075 0.000 1.209 896 L HN 0.740 nan 8.230 nan 0.000 0.423 897 E N 3.557 123.708 120.200 -0.082 0.000 2.408 897 E HA 0.473 4.822 4.350 -0.001 0.000 0.275 897 E C -1.296 175.256 176.600 -0.079 0.000 0.935 897 E CA -1.205 55.145 56.400 -0.085 0.000 0.775 897 E CB 1.577 31.210 29.700 -0.112 0.000 1.277 897 E HN 0.274 nan 8.360 nan 0.000 0.455 898 K N 1.353 121.710 120.400 -0.071 0.000 2.201 898 K HA 0.239 4.559 4.320 -0.001 0.000 0.278 898 K C 0.302 176.859 176.600 -0.072 0.000 1.027 898 K CA -0.230 56.020 56.287 -0.061 0.000 0.909 898 K CB 1.475 33.945 32.500 -0.050 0.000 1.062 898 K HN 0.474 nan 8.250 nan 0.000 0.465 899 V N -0.582 119.290 119.914 -0.070 0.000 3.346 899 V HA 0.026 4.145 4.120 -0.001 0.000 0.309 899 V C 1.150 177.209 176.094 -0.057 0.000 1.457 899 V CA -0.293 61.958 62.300 -0.081 0.000 1.069 899 V CB -0.289 31.468 31.823 -0.109 0.000 0.944 899 V HN 0.619 nan 8.190 nan 0.000 0.449 900 N N 1.402 120.077 118.700 -0.042 0.000 2.364 900 N HA -0.168 4.571 4.740 -0.001 0.000 0.183 900 N C 0.978 176.468 175.510 -0.032 0.000 1.022 900 N CA 1.528 54.561 53.050 -0.029 0.000 0.883 900 N CB -0.473 38.001 38.487 -0.022 0.000 0.965 900 N HN 0.537 nan 8.380 nan 0.000 0.438 901 N N 0.037 118.713 118.700 -0.040 0.000 2.280 901 N HA 0.077 4.817 4.740 -0.001 0.000 0.192 901 N C -0.283 175.197 175.510 -0.049 0.000 1.109 901 N CA -0.127 52.899 53.050 -0.040 0.000 0.855 901 N CB 0.100 38.562 38.487 -0.041 0.000 0.974 901 N HN 0.207 nan 8.380 nan 0.000 0.482 902 c N 1.238 119.802 118.600 -0.059 0.000 2.601 902 c HA 0.250 4.819 4.570 -0.001 0.000 0.409 902 c C 1.068 175.122 174.090 -0.060 0.000 1.293 902 c CA -0.926 55.360 56.329 -0.071 0.000 2.101 902 c CB 0.735 43.189 42.510 -0.094 0.000 2.639 902 c HN 0.012 nan 8.230 nan 0.000 0.592 903 V N 5.592 125.467 119.914 -0.065 0.000 2.370 903 V HA 0.199 4.319 4.120 -0.001 0.000 0.257 903 V C 0.651 176.712 176.094 -0.056 0.000 1.064 903 V CA 0.402 62.668 62.300 -0.055 0.000 0.975 903 V CB -0.610 31.175 31.823 -0.063 0.000 1.067 903 V HN 0.793 nan 8.190 nan 0.000 0.485 904 R N 4.780 125.258 120.500 -0.036 0.000 2.758 904 R HA 0.548 4.887 4.340 -0.001 0.000 0.265 904 R C -2.437 173.858 176.300 -0.007 0.000 1.016 904 R CA -1.832 54.255 56.100 -0.021 0.000 1.040 904 R CB 1.055 31.346 30.300 -0.015 0.000 1.152 904 R HN 0.398 nan 8.270 nan 0.000 0.503 905 P HA -0.016 nan 4.420 nan 0.000 0.270 905 P C -0.378 176.960 177.300 0.063 0.000 1.223 905 P CA -0.267 62.813 63.100 -0.034 0.000 0.785 905 P CB 0.635 32.221 31.700 -0.190 0.000 0.923 906 S N 0.978 116.745 115.700 0.111 0.000 2.606 906 S HA 0.090 4.559 4.470 -0.001 0.000 0.257 906 S C 1.107 175.786 174.600 0.132 0.000 1.327 906 S CA -0.166 58.100 58.200 0.110 0.000 0.984 906 S CB 0.264 63.529 63.200 0.108 0.000 0.941 906 S HN 0.315 nan 8.310 nan 0.000 0.576 907 K N 0.005 120.464 120.400 0.099 0.000 2.209 907 K HA 0.035 4.355 4.320 -0.001 0.000 0.204 907 K C 1.533 178.188 176.600 0.092 0.000 1.048 907 K CA 1.166 57.509 56.287 0.094 0.000 0.940 907 K CB -0.545 31.994 32.500 0.066 0.000 0.729 907 K HN 0.531 nan 8.250 nan 0.000 0.451 908 L N 0.046 121.326 121.223 0.094 0.000 2.558 908 L HA 0.026 4.366 4.340 -0.001 0.000 0.225 908 L C 1.046 177.967 176.870 0.085 0.000 1.128 908 L CA -0.136 54.744 54.840 0.067 0.000 0.868 908 L CB -0.249 41.836 42.059 0.043 0.000 1.006 908 L HN 0.253 nan 8.230 nan 0.000 0.454 909 H N 2.424 121.530 119.070 0.059 0.000 2.803 909 H HA 0.089 4.644 4.556 -0.001 0.000 0.330 909 H C -1.734 173.632 175.328 0.063 0.000 1.057 909 H CA -1.401 54.694 56.048 0.079 0.000 1.458 909 H CB 1.818 31.654 29.762 0.122 0.000 1.470 909 H HN -0.084 nan 8.280 nan 0.000 0.560 910 P HA 0.122 nan 4.420 nan 0.000 0.241 910 P C -0.381 177.024 177.300 0.175 0.000 1.191 910 P CA 0.250 63.382 63.100 0.053 0.000 0.771 910 P CB 0.486 32.145 31.700 -0.068 0.000 0.929 911 A N -0.382 122.718 122.820 0.467 0.000 2.288 911 A HA 0.767 5.086 4.320 -0.001 0.000 0.328 911 A C 0.260 177.914 177.584 0.116 0.000 1.123 911 A CA -0.311 51.871 52.037 0.243 0.000 0.861 911 A CB 0.974 20.105 19.000 0.218 0.000 1.272 911 A HN 0.154 nan 8.150 nan 0.000 0.490 912 G N -1.548 107.180 108.800 -0.119 0.000 2.642 912 G HA2 0.624 4.584 3.960 -0.001 0.000 0.293 912 G HA3 0.624 4.584 3.960 -0.001 0.000 0.293 912 G C -1.901 172.629 174.900 -0.618 0.000 1.341 912 G CA -0.353 44.595 45.100 -0.255 0.000 0.916 912 G HN 0.500 nan 8.290 nan 0.000 0.474 913 Y N -0.776 119.497 120.300 -0.046 0.000 2.524 913 Y HA 0.519 5.068 4.550 -0.001 0.000 0.347 913 Y C 0.356 176.028 175.900 -0.379 0.000 1.005 913 Y CA -0.812 57.198 58.100 -0.151 0.000 1.025 913 Y CB 2.048 40.406 38.460 -0.170 0.000 1.275 913 Y HN 0.377 nan 8.280 nan 0.000 0.460 914 L N 1.775 122.856 121.223 -0.238 0.000 2.456 914 L HA 0.460 4.799 4.340 -0.001 0.000 0.257 914 L C 0.645 177.371 176.870 -0.240 0.000 1.162 914 L CA -0.637 53.969 54.840 -0.389 0.000 0.808 914 L CB 0.875 42.778 42.059 -0.259 0.000 1.136 914 L HN 0.781 nan 8.230 nan 0.000 0.466 915 T N -3.031 111.372 114.554 -0.251 0.000 2.847 915 T HA 0.072 4.421 4.350 -0.001 0.000 0.279 915 T C 1.079 175.731 174.700 -0.079 0.000 0.984 915 T CA -0.196 61.803 62.100 -0.168 0.000 0.988 915 T CB 1.523 70.284 68.868 -0.178 0.000 1.040 915 T HN 0.600 nan 8.240 nan 0.000 0.528 916 S N 0.390 116.056 115.700 -0.057 0.000 2.370 916 S HA -0.127 4.342 4.470 -0.001 0.000 0.226 916 S C 2.302 176.918 174.600 0.027 0.000 1.033 916 S CA 1.369 59.571 58.200 0.003 0.000 1.011 916 S CB -1.197 61.989 63.200 -0.023 0.000 0.852 916 S HN 0.899 nan 8.310 nan 0.000 0.457 917 A N 1.208 124.017 122.820 -0.018 0.000 1.898 917 A HA 0.281 4.601 4.320 -0.001 0.000 0.216 917 A C 2.482 180.061 177.584 -0.008 0.000 1.181 917 A CA 1.747 53.776 52.037 -0.013 0.000 0.620 917 A CB -1.347 17.634 19.000 -0.031 0.000 0.819 917 A HN 0.798 nan 8.150 nan 0.000 0.442 918 A N -1.239 121.561 122.820 -0.034 0.000 1.930 918 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 918 A C 2.122 179.729 177.584 0.038 0.000 1.175 918 A CA 1.649 53.668 52.037 -0.029 0.000 0.627 918 A CB -0.933 17.991 19.000 -0.128 0.000 0.815 918 A HN 0.777 nan 8.150 nan 0.000 0.443 919 H N 0.016 119.073 119.070 -0.022 0.000 2.321 919 H HA -0.051 4.504 4.556 -0.001 0.000 0.300 919 H C 1.822 177.191 175.328 0.068 0.000 1.087 919 H CA 1.850 57.924 56.048 0.043 0.000 1.319 919 H CB -0.062 29.721 29.762 0.036 0.000 1.379 919 H HN 0.437 nan 8.280 nan 0.000 0.501 920 K N 0.181 120.540 120.400 -0.067 0.000 2.147 920 K HA -0.061 4.258 4.320 -0.001 0.000 0.205 920 K C 2.363 178.928 176.600 -0.058 0.000 1.049 920 K CA 0.824 57.056 56.287 -0.091 0.000 0.936 920 K CB -0.013 32.488 32.500 0.003 0.000 0.722 920 K HN 0.273 nan 8.250 nan 0.000 0.446 921 A N 0.771 123.580 122.820 -0.018 0.000 1.930 921 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 921 A C 2.198 179.788 177.584 0.009 0.000 1.175 921 A CA 1.900 53.942 52.037 0.009 0.000 0.627 921 A CB -0.573 18.447 19.000 0.033 0.000 0.815 921 A HN 0.263 nan 8.150 nan 0.000 0.443 922 S N -0.594 115.113 115.700 0.011 0.000 2.356 922 S HA -0.238 4.232 4.470 -0.001 0.000 0.223 922 S C 2.144 176.737 174.600 -0.012 0.000 1.032 922 S CA 1.730 59.955 58.200 0.042 0.000 1.005 922 S CB -0.408 62.859 63.200 0.112 0.000 0.867 922 S HN 0.675 nan 8.310 nan 0.000 0.449 923 Q N 0.598 120.344 119.800 -0.089 0.000 2.170 923 Q HA -0.099 4.241 4.340 -0.001 0.000 0.203 923 Q C 2.475 178.436 176.000 -0.066 0.000 0.976 923 Q CA 1.698 57.452 55.803 -0.082 0.000 0.858 923 Q CB -0.312 28.356 28.738 -0.117 0.000 0.907 923 Q HN 0.816 nan 8.270 nan 0.000 0.433 924 S N 0.163 115.834 115.700 -0.049 0.000 2.423 924 S HA -0.064 4.405 4.470 -0.001 0.000 0.231 924 S C 1.852 176.412 174.600 -0.067 0.000 1.014 924 S CA 0.636 58.806 58.200 -0.050 0.000 0.965 924 S CB -0.218 62.969 63.200 -0.022 0.000 0.785 924 S HN 0.276 nan 8.310 nan 0.000 0.495 925 L N 0.049 121.242 121.223 -0.050 0.000 2.168 925 L HA 0.228 4.567 4.340 -0.001 0.000 0.203 925 L C 2.470 179.285 176.870 -0.093 0.000 1.078 925 L CA 0.725 55.531 54.840 -0.057 0.000 0.780 925 L CB -0.390 41.652 42.059 -0.028 0.000 0.939 925 L HN 0.278 nan 8.230 nan 0.000 0.451 926 L N -1.186 119.987 121.223 -0.084 0.000 2.249 926 L HA 0.039 4.379 4.340 -0.001 0.000 0.207 926 L C 0.155 176.912 176.870 -0.187 0.000 1.090 926 L CA 0.757 55.534 54.840 -0.105 0.000 0.802 926 L CB 0.120 42.140 42.059 -0.065 0.000 0.947 926 L HN 0.199 nan 8.230 nan 0.000 0.453 927 D N 0.264 120.533 120.400 -0.218 0.000 2.656 927 D HA 0.225 4.865 4.640 -0.001 0.000 0.303 927 D C -2.377 173.707 176.300 -0.361 0.000 1.199 927 D CA -0.954 52.832 54.000 -0.357 0.000 0.797 927 D CB 1.400 42.188 40.800 -0.020 0.000 1.170 927 D HN 0.034 nan 8.370 nan 0.000 0.509 928 P HA 0.122 nan 4.420 nan 0.000 0.273 928 P C 0.578 177.753 177.300 -0.210 0.000 1.250 928 P CA -0.476 62.467 63.100 -0.260 0.000 0.793 928 P CB 1.548 33.109 31.700 -0.232 0.000 1.011 929 L N 0.819 121.975 121.223 -0.111 0.000 2.483 929 L HA 0.108 4.448 4.340 -0.001 0.000 0.276 929 L C 0.910 177.766 176.870 -0.024 0.000 1.213 929 L CA 0.351 55.169 54.840 -0.036 0.000 0.843 929 L CB -0.236 41.816 42.059 -0.011 0.000 1.107 929 L HN 0.286 nan 8.230 nan 0.000 0.487 930 D N 2.748 123.195 120.400 0.079 0.000 2.225 930 D HA 0.338 4.978 4.640 -0.001 0.000 0.249 930 D C -0.381 175.893 176.300 -0.044 0.000 1.052 930 D CA -0.303 53.671 54.000 -0.043 0.000 0.909 930 D CB 1.701 42.509 40.800 0.014 0.000 1.186 930 D HN 0.358 nan 8.370 nan 0.000 0.431 931 K N 1.344 121.599 120.400 -0.242 0.000 2.345 931 K HA 0.482 4.802 4.320 -0.001 0.000 0.255 931 K C -1.001 175.539 176.600 -0.099 0.000 0.934 931 K CA -0.662 55.635 56.287 0.016 0.000 0.801 931 K CB 1.636 34.121 32.500 -0.025 0.000 1.137 931 K HN 0.221 nan 8.250 nan 0.000 0.424 932 F N 2.476 122.606 119.950 0.301 0.000 2.520 932 F HA 0.491 5.018 4.527 -0.001 0.000 0.322 932 F C 0.001 176.089 175.800 0.481 0.000 1.103 932 F CA -0.890 57.285 58.000 0.292 0.000 0.926 932 F CB 1.265 40.272 39.000 0.012 0.000 1.154 932 F HN 0.201 nan 8.300 nan 0.000 0.453 933 I N 3.464 124.420 120.570 0.643 0.000 2.354 933 I HA 0.222 4.391 4.170 -0.001 0.000 0.292 933 I C -0.540 175.845 176.117 0.447 0.000 0.989 933 I CA -0.832 60.764 61.300 0.493 0.000 1.188 933 I CB 1.207 39.397 38.000 0.317 0.000 1.342 933 I HN 0.430 nan 8.210 nan 0.000 0.457 934 F N 5.687 125.778 119.950 0.235 0.000 2.538 934 F HA 0.214 4.740 4.527 -0.001 0.000 0.371 934 F C 1.183 176.902 175.800 -0.136 0.000 1.087 934 F CA 0.042 57.886 58.000 -0.260 0.000 1.250 934 F CB 1.199 40.078 39.000 -0.202 0.000 1.110 934 F HN 0.600 nan 8.300 nan 0.000 0.570 935 A N 4.415 126.631 122.820 -1.006 0.000 1.975 935 A HA 0.057 4.376 4.320 -0.001 0.000 0.215 935 A C 0.921 178.247 177.584 -0.429 0.000 1.170 935 A CA 0.538 52.239 52.037 -0.560 0.000 0.656 935 A CB -0.452 18.223 19.000 -0.542 0.000 0.821 935 A HN 0.797 nan 8.150 nan 0.000 0.449 936 E N -0.543 119.266 120.200 -0.651 0.000 2.561 936 E HA 0.197 4.547 4.350 -0.001 0.000 0.254 936 E C 0.207 176.933 176.600 0.210 0.000 1.213 936 E CA -0.664 55.674 56.400 -0.104 0.000 0.995 936 E CB 0.263 29.974 29.700 0.018 0.000 1.233 936 E HN 0.195 nan 8.360 nan 0.000 0.556 937 N N 0.421 119.250 118.700 0.215 0.000 2.300 937 N HA -0.072 4.668 4.740 -0.001 0.000 0.179 937 N C -0.237 175.439 175.510 0.277 0.000 1.016 937 N CA 0.832 54.015 53.050 0.223 0.000 0.876 937 N CB 0.229 38.801 38.487 0.140 0.000 0.979 937 N HN 0.459 nan 8.380 nan 0.000 0.432 938 E N -0.728 119.653 120.200 0.302 0.000 2.272 938 E HA 0.147 4.497 4.350 -0.001 0.000 0.269 938 E C -1.581 175.090 176.600 0.118 0.000 0.877 938 E CA -0.764 55.739 56.400 0.171 0.000 0.755 938 E CB 1.393 31.156 29.700 0.106 0.000 1.192 938 E HN -0.024 nan 8.360 nan 0.000 0.422 939 W N 7.537 128.506 121.300 -0.551 0.000 2.322 939 W HA 0.428 5.087 4.660 -0.001 0.000 0.321 939 W C -1.523 174.768 176.519 -0.381 0.000 0.991 939 W CA -1.514 55.325 57.345 -0.844 0.000 1.448 939 W CB -0.142 28.297 29.460 -1.703 0.000 1.239 939 W HN 0.464 nan 8.180 nan 0.000 0.399 940 I N 5.648 126.303 120.570 0.142 0.000 2.529 940 I HA 0.328 4.497 4.170 -0.001 0.000 0.284 940 I C 1.523 177.616 176.117 -0.040 0.000 1.082 940 I CA 1.324 62.634 61.300 0.016 0.000 1.406 940 I CB 0.747 38.790 38.000 0.071 0.000 1.405 940 I HN 0.780 nan 8.210 nan 0.000 0.548 941 G N 4.121 112.816 108.800 -0.175 0.000 2.159 941 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.256 941 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.256 941 G C 0.434 175.071 174.900 -0.438 0.000 0.977 941 G CA -0.114 44.866 45.100 -0.201 0.000 0.652 941 G HN 1.032 nan 8.290 nan 0.000 0.531 942 A N -0.174 122.113 122.820 -0.887 0.000 2.540 942 A HA 0.550 4.869 4.320 -0.001 0.000 0.239 942 A C 0.587 177.710 177.584 -0.768 0.000 1.061 942 A CA 0.860 51.989 52.037 -1.513 0.000 0.758 942 A CB 0.207 17.961 19.000 -2.077 0.000 0.991 942 A HN 0.634 nan 8.150 nan 0.000 0.502 943 Q N 0.898 120.327 119.800 -0.619 0.000 2.297 943 Q HA 0.539 4.879 4.340 -0.001 0.000 0.268 943 Q C 1.047 176.914 176.000 -0.221 0.000 1.045 943 Q CA -0.216 55.405 55.803 -0.304 0.000 0.861 943 Q CB 1.864 30.494 28.738 -0.180 0.000 1.344 943 Q HN 0.783 nan 8.270 nan 0.000 0.452 944 G N -0.031 108.685 108.800 -0.141 0.000 2.838 944 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.210 944 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.210 944 G C 0.119 174.987 174.900 -0.053 0.000 1.153 944 G CA 0.457 45.495 45.100 -0.104 0.000 0.778 944 G HN 0.443 nan 8.290 nan 0.000 0.539 945 Q N -1.204 118.580 119.800 -0.028 0.000 2.527 945 Q HA 0.517 4.857 4.340 -0.001 0.000 0.280 945 Q C -2.401 173.610 176.000 0.018 0.000 0.977 945 Q CA -0.925 54.876 55.803 -0.004 0.000 0.837 945 Q CB 2.021 30.742 28.738 -0.028 0.000 1.454 945 Q HN 0.016 nan 8.270 nan 0.000 0.387 946 F N 1.337 121.190 119.950 -0.162 0.000 2.569 946 F HA 0.656 5.182 4.527 -0.001 0.000 0.312 946 F C 0.513 176.061 175.800 -0.419 0.000 1.109 946 F CA 0.402 58.240 58.000 -0.269 0.000 0.919 946 F CB 2.101 40.954 39.000 -0.245 0.000 1.211 946 F HN 0.703 nan 8.300 nan 0.000 0.446 947 G N 2.974 110.667 108.800 -1.845 0.000 2.157 947 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.248 947 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.248 947 G C 1.052 175.236 174.900 -1.194 0.000 0.979 947 G CA 0.304 44.090 45.100 -2.191 0.000 0.650 947 G HN 1.594 nan 8.290 nan 0.000 0.529 948 G N 1.123 109.537 108.800 -0.643 0.000 2.479 948 G HA2 0.013 3.973 3.960 -0.001 0.000 0.220 948 G HA3 0.013 3.973 3.960 -0.001 0.000 0.220 948 G C 1.241 176.063 174.900 -0.130 0.000 1.115 948 G CA 1.771 46.735 45.100 -0.228 0.000 0.757 948 G HN 0.821 nan 8.290 nan 0.000 0.560 949 D N -0.776 119.462 120.400 -0.270 0.000 2.349 949 D HA 0.016 4.655 4.640 -0.001 0.000 0.214 949 D C 0.361 176.650 176.300 -0.018 0.000 1.063 949 D CA -0.455 53.489 54.000 -0.094 0.000 0.847 949 D CB -0.836 39.919 40.800 -0.075 0.000 0.933 949 D HN 0.452 nan 8.370 nan 0.000 0.513 950 H N 1.143 120.099 119.070 -0.191 0.000 2.815 950 H HA 0.212 4.767 4.556 -0.001 0.000 0.350 950 H C -1.986 173.306 175.328 -0.060 0.000 1.080 950 H CA -1.600 54.362 56.048 -0.143 0.000 1.433 950 H CB 0.572 30.197 29.762 -0.230 0.000 1.432 950 H HN -0.006 nan 8.280 nan 0.000 0.592 951 P HA -0.038 nan 4.420 nan 0.000 0.271 951 P C -0.672 176.694 177.300 0.110 0.000 1.216 951 P CA -0.006 63.155 63.100 0.102 0.000 0.776 951 P CB 0.816 32.555 31.700 0.065 0.000 0.881 952 S N 2.353 118.152 115.700 0.165 0.000 2.434 952 S HA 0.581 5.051 4.470 -0.001 0.000 0.318 952 S C 0.030 174.740 174.600 0.184 0.000 1.062 952 S CA -0.601 57.728 58.200 0.214 0.000 1.116 952 S CB -0.675 62.771 63.200 0.410 0.000 0.977 952 S HN 0.489 nan 8.310 nan 0.000 0.480 953 A N 4.477 127.398 122.820 0.168 0.000 2.366 953 A HA 0.482 4.801 4.320 -0.001 0.000 0.249 953 A C 0.581 178.236 177.584 0.117 0.000 1.084 953 A CA -0.529 51.585 52.037 0.129 0.000 0.794 953 A CB 0.172 19.246 19.000 0.124 0.000 1.034 953 A HN 0.923 nan 8.150 nan 0.000 0.491 954 R N 0.096 120.635 120.500 0.065 0.000 2.638 954 R HA -0.046 4.293 4.340 -0.001 0.000 0.268 954 R C 1.462 177.773 176.300 0.018 0.000 1.006 954 R CA 0.966 57.079 56.100 0.022 0.000 1.088 954 R CB 0.320 30.616 30.300 -0.006 0.000 0.950 954 R HN 0.925 nan 8.270 nan 0.000 0.419 955 E N 1.975 122.148 120.200 -0.045 0.000 2.267 955 E HA -0.238 4.111 4.350 -0.001 0.000 0.197 955 E C 0.198 176.825 176.600 0.044 0.000 0.998 955 E CA 1.635 57.990 56.400 -0.076 0.000 0.830 955 E CB -0.043 29.593 29.700 -0.105 0.000 0.751 955 E HN 0.758 nan 8.360 nan 0.000 0.491 956 D N 0.472 120.859 120.400 -0.021 0.000 2.339 956 D HA 0.026 4.666 4.640 -0.001 0.000 0.217 956 D C 0.254 176.544 176.300 -0.018 0.000 1.050 956 D CA -0.212 53.729 54.000 -0.098 0.000 0.856 956 D CB -0.003 40.683 40.800 -0.190 0.000 0.922 956 D HN 0.161 nan 8.370 nan 0.000 0.518 957 L N 0.870 122.136 121.223 0.071 0.000 2.309 957 L HA 0.516 4.855 4.340 -0.001 0.000 0.282 957 L C -1.059 175.942 176.870 0.218 0.000 1.036 957 L CA -0.419 54.486 54.840 0.107 0.000 0.806 957 L CB 1.629 43.741 42.059 0.088 0.000 1.220 957 L HN -0.207 nan 8.230 nan 0.000 0.429 958 D N 2.407 122.960 120.400 0.256 0.000 2.575 958 D HA 0.350 4.989 4.640 -0.001 0.000 0.236 958 D C -1.296 175.171 176.300 0.279 0.000 1.075 958 D CA -0.269 53.907 54.000 0.293 0.000 0.860 958 D CB 2.431 43.454 40.800 0.372 0.000 1.475 958 D HN 0.227 nan 8.370 nan 0.000 0.474 959 V N 3.542 123.598 119.914 0.236 0.000 2.299 959 V HA 0.110 4.229 4.120 -0.001 0.000 0.255 959 V C 1.311 177.549 176.094 0.241 0.000 1.100 959 V CA 0.043 62.495 62.300 0.253 0.000 0.938 959 V CB 0.481 32.440 31.823 0.228 0.000 1.139 959 V HN 0.597 nan 8.190 nan 0.000 0.490 960 S N 3.291 119.164 115.700 0.288 0.000 2.382 960 S HA -0.020 4.449 4.470 -0.001 0.000 0.228 960 S C 0.647 175.312 174.600 0.107 0.000 1.027 960 S CA 0.882 59.205 58.200 0.205 0.000 0.991 960 S CB 0.157 63.534 63.200 0.294 0.000 0.823 960 S HN 0.498 nan 8.310 nan 0.000 0.469 961 V N 1.305 121.319 119.914 0.167 0.000 2.760 961 V HA 0.530 4.650 4.120 -0.001 0.000 0.309 961 V C -0.816 175.346 176.094 0.113 0.000 1.077 961 V CA -0.596 61.772 62.300 0.114 0.000 0.910 961 V CB 1.954 33.869 31.823 0.153 0.000 1.008 961 V HN 0.368 nan 8.190 nan 0.000 0.424 962 M N 5.463 125.051 119.600 -0.020 0.000 2.151 962 M HA 0.664 5.143 4.480 -0.001 0.000 0.290 962 M C -1.074 175.053 176.300 -0.288 0.000 0.965 962 M CA -0.463 54.697 55.300 -0.233 0.000 0.930 962 M CB 1.333 33.806 32.600 -0.211 0.000 1.560 962 M HN 0.741 nan 8.290 nan 0.000 0.438 963 R N 4.070 124.323 120.500 -0.413 0.000 2.515 963 R HA 0.441 4.781 4.340 -0.001 0.000 0.291 963 R C -1.338 174.723 176.300 -0.397 0.000 1.046 963 R CA -0.698 55.211 56.100 -0.319 0.000 0.914 963 R CB 1.799 31.997 30.300 -0.171 0.000 1.191 963 R HN 0.894 nan 8.270 nan 0.000 0.435 964 R N 4.554 124.879 120.500 -0.292 0.000 2.401 964 R HA 0.122 4.462 4.340 -0.001 0.000 0.299 964 R C 0.170 176.355 176.300 -0.192 0.000 1.064 964 R CA 0.097 56.055 56.100 -0.236 0.000 1.000 964 R CB 0.589 30.812 30.300 -0.129 0.000 0.973 964 R HN 0.710 nan 8.270 nan 0.000 0.438 965 L N 3.107 124.210 121.223 -0.200 0.000 2.616 965 L HA 0.141 4.480 4.340 -0.001 0.000 0.229 965 L C 0.373 177.192 176.870 -0.086 0.000 1.110 965 L CA 0.018 54.763 54.840 -0.157 0.000 0.884 965 L CB 0.385 42.318 42.059 -0.210 0.000 1.115 965 L HN 0.714 nan 8.230 nan 0.000 0.481 966 T N -2.727 111.787 114.554 -0.066 0.000 2.885 966 T HA 0.443 4.792 4.350 -0.001 0.000 0.285 966 T C -0.202 174.492 174.700 -0.010 0.000 1.019 966 T CA -0.896 61.184 62.100 -0.032 0.000 1.010 966 T CB 2.403 71.259 68.868 -0.020 0.000 1.022 966 T HN -0.085 nan 8.240 nan 0.000 0.466 967 K N 0.935 121.335 120.400 -0.001 0.000 2.102 967 K HA 0.324 4.644 4.320 -0.001 0.000 0.244 967 K C 1.654 178.269 176.600 0.025 0.000 1.021 967 K CA -0.269 56.029 56.287 0.017 0.000 0.913 967 K CB 0.678 33.187 32.500 0.014 0.000 1.062 967 K HN 0.815 nan 8.250 nan 0.000 0.485 968 S N -0.619 115.104 115.700 0.039 0.000 2.447 968 S HA -0.146 4.323 4.470 -0.001 0.000 0.233 968 S C 1.745 176.361 174.600 0.026 0.000 1.006 968 S CA 1.480 59.701 58.200 0.036 0.000 0.957 968 S CB -0.342 62.885 63.200 0.046 0.000 0.773 968 S HN 0.630 nan 8.310 nan 0.000 0.507 969 S N 1.522 117.236 115.700 0.023 0.000 2.561 969 S HA 0.429 4.898 4.470 -0.001 0.000 0.225 969 S C 0.804 175.411 174.600 0.013 0.000 0.977 969 S CA 0.051 58.262 58.200 0.018 0.000 0.926 969 S CB -0.615 62.595 63.200 0.017 0.000 0.769 969 S HN 0.769 nan 8.310 nan 0.000 0.533 970 A N 1.879 124.705 122.820 0.011 0.000 2.451 970 A HA 0.381 4.700 4.320 -0.001 0.000 0.266 970 A C 1.240 178.831 177.584 0.011 0.000 1.119 970 A CA -0.383 51.658 52.037 0.006 0.000 0.786 970 A CB 0.208 19.209 19.000 0.001 0.000 1.061 970 A HN 0.472 nan 8.150 nan 0.000 0.503 971 K N 1.857 122.262 120.400 0.009 0.000 2.097 971 K HA -0.079 4.240 4.320 -0.001 0.000 0.206 971 K C 0.124 176.734 176.600 0.016 0.000 1.049 971 K CA 1.661 57.956 56.287 0.012 0.000 0.933 971 K CB 0.004 32.508 32.500 0.008 0.000 0.717 971 K HN 0.642 nan 8.250 nan 0.000 0.442 972 T N 2.312 116.872 114.554 0.011 0.000 2.770 972 T HA 0.194 4.544 4.350 -0.001 0.000 0.297 972 T C -0.906 173.809 174.700 0.024 0.000 0.997 972 T CA -0.739 61.370 62.100 0.016 0.000 0.949 972 T CB 1.470 70.337 68.868 -0.001 0.000 0.941 972 T HN 0.071 nan 8.240 nan 0.000 0.457 973 Q N 2.732 122.565 119.800 0.056 0.000 2.340 973 Q HA 0.406 4.746 4.340 -0.001 0.000 0.249 973 Q C 0.070 176.127 176.000 0.094 0.000 0.957 973 Q CA 0.087 55.929 55.803 0.065 0.000 0.882 973 Q CB 1.239 30.024 28.738 0.078 0.000 1.235 973 Q HN 0.551 nan 8.270 nan 0.000 0.439 974 R N 0.306 120.828 120.500 0.037 0.000 2.628 974 R HA 0.679 5.018 4.340 -0.001 0.000 0.288 974 R C -1.086 175.171 176.300 -0.072 0.000 0.980 974 R CA -0.679 55.428 56.100 0.010 0.000 0.891 974 R CB 1.865 32.137 30.300 -0.047 0.000 1.188 974 R HN 0.252 nan 8.270 nan 0.000 0.450 975 V N 1.428 121.297 119.914 -0.076 0.000 2.531 975 V HA 0.609 4.728 4.120 -0.001 0.000 0.301 975 V C 0.136 175.953 176.094 -0.462 0.000 1.034 975 V CA -0.847 61.276 62.300 -0.295 0.000 0.865 975 V CB 2.068 33.733 31.823 -0.264 0.000 0.995 975 V HN 0.947 nan 8.190 nan 0.000 0.424 976 G N 2.910 111.228 108.800 -0.803 0.000 2.371 976 G HA2 0.674 4.633 3.960 -0.001 0.000 0.326 976 G HA3 0.674 4.633 3.960 -0.001 0.000 0.326 976 G C -1.682 172.728 174.900 -0.815 0.000 1.127 976 G CA -0.302 44.165 45.100 -1.056 0.000 0.885 976 G HN 0.500 nan 8.290 nan 0.000 0.477 977 Y N 0.207 120.576 120.300 0.115 0.000 2.442 977 Y HA 0.471 5.021 4.550 -0.001 0.000 0.344 977 Y C -0.168 176.005 175.900 0.454 0.000 0.976 977 Y CA -0.923 57.348 58.100 0.285 0.000 1.040 977 Y CB 2.736 41.334 38.460 0.230 0.000 1.228 977 Y HN 0.345 nan 8.280 nan 0.000 0.451 978 V N 5.128 125.342 119.914 0.500 0.000 2.384 978 V HA 0.397 4.516 4.120 -0.001 0.000 0.287 978 V C -0.406 175.921 176.094 0.388 0.000 1.020 978 V CA -0.758 61.763 62.300 0.369 0.000 0.850 978 V CB 1.197 33.192 31.823 0.286 0.000 0.987 978 V HN 0.577 nan 8.190 nan 0.000 0.436 979 L N 4.870 126.305 121.223 0.355 0.000 2.296 979 L HA 0.589 4.928 4.340 -0.001 0.000 0.286 979 L C -0.686 176.383 176.870 0.331 0.000 1.023 979 L CA -0.582 54.460 54.840 0.337 0.000 0.812 979 L CB 1.438 43.692 42.059 0.327 0.000 1.223 979 L HN 0.707 nan 8.230 nan 0.000 0.421 980 H N 3.544 122.769 119.070 0.257 0.000 2.609 980 H HA 0.436 4.991 4.556 -0.001 0.000 0.344 980 H C -1.061 174.352 175.328 0.142 0.000 1.040 980 H CA -0.591 55.576 56.048 0.198 0.000 1.216 980 H CB 1.567 31.517 29.762 0.313 0.000 1.529 980 H HN 0.484 nan 8.280 nan 0.000 0.519 981 R N 4.289 124.423 120.500 -0.610 0.000 2.343 981 R HA 0.311 4.650 4.340 -0.001 0.000 0.320 981 R C -0.381 175.494 176.300 -0.708 0.000 0.956 981 R CA -0.458 55.372 56.100 -0.450 0.000 0.836 981 R CB 1.232 31.387 30.300 -0.241 0.000 1.151 981 R HN 0.757 nan 8.270 nan 0.000 0.450 982 T N 1.563 115.860 114.554 -0.428 0.000 2.833 982 T HA 0.207 4.557 4.350 -0.001 0.000 0.292 982 T C -0.531 173.992 174.700 -0.295 0.000 1.031 982 T CA -0.508 61.435 62.100 -0.262 0.000 0.937 982 T CB 0.684 69.495 68.868 -0.095 0.000 1.256 982 T HN 0.670 nan 8.240 nan 0.000 0.551 983 N N 0.674 119.223 118.700 -0.252 0.000 2.399 983 N HA 0.472 5.212 4.740 -0.001 0.000 0.284 983 N C -1.478 173.861 175.510 -0.285 0.000 1.025 983 N CA -0.506 52.323 53.050 -0.368 0.000 0.885 983 N CB 0.693 38.776 38.487 -0.672 0.000 1.339 983 N HN 0.491 nan 8.380 nan 0.000 0.487 984 L N 2.741 123.800 121.223 -0.274 0.000 2.325 984 L HA 0.530 4.870 4.340 -0.001 0.000 0.278 984 L C 0.510 177.260 176.870 -0.201 0.000 1.023 984 L CA -0.947 53.771 54.840 -0.202 0.000 0.811 984 L CB 1.601 43.550 42.059 -0.184 0.000 1.249 984 L HN 0.411 nan 8.230 nan 0.000 0.431 985 M N 2.212 121.716 119.600 -0.159 0.000 2.245 985 M HA 0.066 4.546 4.480 -0.001 0.000 0.344 985 M C -0.177 176.041 176.300 -0.137 0.000 1.170 985 M CA -0.145 55.065 55.300 -0.151 0.000 1.135 985 M CB 0.465 32.982 32.600 -0.138 0.000 1.574 985 M HN 0.434 nan 8.290 nan 0.000 0.452 986 Q N 2.046 121.769 119.800 -0.128 0.000 2.323 986 Q HA 0.180 4.519 4.340 -0.001 0.000 0.257 986 Q C -0.278 175.667 176.000 -0.091 0.000 1.022 986 Q CA 0.155 55.894 55.803 -0.106 0.000 0.919 986 Q CB 0.766 29.445 28.738 -0.100 0.000 1.220 986 Q HN 0.781 nan 8.270 nan 0.000 0.427 987 c N 0.602 119.151 118.600 -0.085 0.000 3.240 987 c HA 0.398 4.968 4.570 -0.001 0.000 0.271 987 c C 1.320 175.372 174.090 -0.063 0.000 1.534 987 c CA 0.073 56.356 56.329 -0.076 0.000 1.796 987 c CB -0.263 42.197 42.510 -0.084 0.000 2.892 987 c HN 0.987 nan 8.230 nan 0.000 0.566 988 G N 1.501 110.265 108.800 -0.061 0.000 2.195 988 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.224 988 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.224 988 G C 0.135 175.006 174.900 -0.050 0.000 0.990 988 G CA 0.344 45.413 45.100 -0.052 0.000 0.639 988 G HN 0.588 nan 8.290 nan 0.000 0.514 989 T N 0.071 114.592 114.554 -0.054 0.000 2.728 989 T HA 0.582 4.932 4.350 -0.001 0.000 0.296 989 T C -0.726 173.940 174.700 -0.057 0.000 0.940 989 T CA -0.929 61.141 62.100 -0.049 0.000 1.013 989 T CB 1.988 70.829 68.868 -0.044 0.000 0.912 989 T HN -0.014 nan 8.240 nan 0.000 0.484 990 P HA -0.132 nan 4.420 nan 0.000 0.217 990 P C 0.499 177.740 177.300 -0.099 0.000 1.148 990 P CA 0.687 63.742 63.100 -0.075 0.000 0.834 990 P CB -0.172 31.488 31.700 -0.067 0.000 0.783 991 E N -0.626 119.528 120.200 -0.078 0.000 1.975 991 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 991 E C 0.583 177.113 176.600 -0.118 0.000 1.338 991 E CA 0.219 56.573 56.400 -0.076 0.000 0.680 991 E CB -0.453 29.212 29.700 -0.058 0.000 1.049 991 E HN 0.434 nan 8.360 nan 0.000 0.315 992 E N -0.390 119.666 120.200 -0.240 0.000 3.363 992 E HA 0.138 4.488 4.350 -0.001 0.000 0.481 992 E C 0.319 176.781 176.600 -0.230 0.000 0.318 992 E CA -0.206 56.026 56.400 -0.281 0.000 2.823 992 E CB 0.147 29.630 29.700 -0.362 0.000 2.283 992 E HN 0.288 nan 8.360 nan 0.000 0.441 993 H N -0.787 118.277 119.070 -0.011 0.000 2.750 993 H HA -0.107 4.449 4.556 -0.001 0.000 0.327 993 H C -0.315 175.020 175.328 0.011 0.000 1.199 993 H CA 1.009 57.054 56.048 -0.004 0.000 1.149 993 H CB -2.588 27.169 29.762 -0.009 0.000 1.543 993 H HN 0.331 nan 8.280 nan 0.000 0.427 994 T N -1.904 112.699 114.554 0.080 0.000 2.916 994 T HA 0.652 5.001 4.350 -0.001 0.000 0.292 994 T C 0.128 174.867 174.700 0.064 0.000 1.055 994 T CA -1.161 60.987 62.100 0.081 0.000 1.009 994 T CB 3.056 71.958 68.868 0.058 0.000 1.118 994 T HN 0.300 nan 8.240 nan 0.000 0.497 995 Q N 0.765 120.610 119.800 0.076 0.000 2.235 995 Q HA 0.446 4.786 4.340 -0.001 0.000 0.256 995 Q C -0.459 175.565 176.000 0.039 0.000 0.951 995 Q CA -1.109 54.727 55.803 0.055 0.000 0.890 995 Q CB 1.811 30.590 28.738 0.068 0.000 1.279 995 Q HN 0.684 nan 8.270 nan 0.000 0.444 996 K N 1.691 122.102 120.400 0.017 0.000 2.451 996 K HA 0.088 4.408 4.320 -0.001 0.000 0.280 996 K C -0.991 175.610 176.600 0.001 0.000 1.020 996 K CA -0.316 55.972 56.287 0.002 0.000 1.008 996 K CB 0.367 32.858 32.500 -0.016 0.000 0.917 996 K HN 0.467 nan 8.250 nan 0.000 0.478 997 L N 4.714 125.935 121.223 -0.003 0.000 2.257 997 L HA 0.279 4.619 4.340 -0.001 0.000 0.290 997 L C -1.146 175.686 176.870 -0.064 0.000 1.044 997 L CA -0.004 54.827 54.840 -0.016 0.000 0.810 997 L CB 1.194 43.256 42.059 0.006 0.000 1.193 997 L HN 0.641 nan 8.230 nan 0.000 0.425 998 D N 3.518 123.872 120.400 -0.076 0.000 2.464 998 D HA 0.164 4.803 4.640 -0.001 0.000 0.243 998 D C 1.032 177.230 176.300 -0.170 0.000 1.104 998 D CA -0.294 53.639 54.000 -0.113 0.000 0.883 998 D CB 1.224 42.005 40.800 -0.032 0.000 1.050 998 D HN 0.377 nan 8.370 nan 0.000 0.524 999 V N 1.370 121.085 119.914 -0.333 0.000 2.720 999 V HA -0.161 3.959 4.120 -0.001 0.000 0.256 999 V C 2.150 177.925 176.094 -0.531 0.000 1.082 999 V CA 1.000 62.927 62.300 -0.622 0.000 1.101 999 V CB -1.057 30.085 31.823 -1.135 0.000 0.693 999 V HN 0.608 nan 8.190 nan 0.000 0.479 1000 c N 0.601 119.021 118.600 -0.300 0.000 2.437 1000 c HA -0.005 4.565 4.570 -0.001 0.000 0.283 1000 c C 2.126 176.101 174.090 -0.192 0.000 1.424 1000 c CA 1.321 57.539 56.329 -0.186 0.000 1.782 1000 c CB -1.710 40.680 42.510 -0.201 0.000 1.833 1000 c HN 0.773 nan 8.230 nan 0.000 0.532 1001 H N -0.993 118.047 119.070 -0.050 0.000 2.505 1001 H HA 0.264 4.819 4.556 -0.001 0.000 0.286 1001 H C 1.661 177.018 175.328 0.049 0.000 1.072 1001 H CA -0.025 56.037 56.048 0.025 0.000 1.141 1001 H CB 0.066 29.826 29.762 -0.003 0.000 1.550 1001 H HN 0.348 nan 8.280 nan 0.000 0.547 1002 L N -0.153 121.123 121.223 0.087 0.000 2.156 1002 L HA 0.003 4.342 4.340 -0.001 0.000 0.208 1002 L C 0.125 177.137 176.870 0.237 0.000 1.095 1002 L CA 0.826 55.748 54.840 0.136 0.000 0.770 1002 L CB 0.146 42.250 42.059 0.074 0.000 0.914 1002 L HN 0.207 nan 8.230 nan 0.000 0.439 1003 L N 0.051 121.369 121.223 0.158 0.000 2.331 1003 L HA 0.393 4.732 4.340 -0.001 0.000 0.275 1003 L C -2.046 174.874 176.870 0.085 0.000 1.022 1003 L CA -1.951 52.909 54.840 0.034 0.000 0.812 1003 L CB 1.471 43.310 42.059 -0.367 0.000 1.257 1003 L HN -0.202 nan 8.230 nan 0.000 0.435 1004 P HA 0.112 nan 4.420 nan 0.000 0.275 1004 P C -0.847 176.585 177.300 0.221 0.000 1.266 1004 P CA -0.271 62.913 63.100 0.140 0.000 0.793 1004 P CB 0.414 32.171 31.700 0.094 0.000 1.074 1005 N N -3.200 115.604 118.700 0.173 0.000 2.740 1005 N HA -0.150 4.590 4.740 -0.001 0.000 0.248 1005 N C 0.046 175.640 175.510 0.140 0.000 1.062 1005 N CA 0.038 53.175 53.050 0.145 0.000 0.704 1005 N CB -1.810 36.754 38.487 0.128 0.000 0.968 1005 N HN 0.250 nan 8.380 nan 0.000 0.547 1006 V N -0.022 119.934 119.914 0.071 0.000 2.637 1006 V HA 0.442 4.561 4.120 -0.001 0.000 0.296 1006 V C 1.109 177.102 176.094 -0.168 0.000 1.046 1006 V CA 1.056 63.218 62.300 -0.230 0.000 1.066 1006 V CB 1.370 32.978 31.823 -0.360 0.000 0.968 1006 V HN 0.398 nan 8.190 nan 0.000 0.483 1007 A N 6.871 129.568 122.820 -0.206 0.000 2.287 1007 A HA 0.508 4.827 4.320 -0.001 0.000 0.214 1007 A C 0.865 178.408 177.584 -0.069 0.000 1.228 1007 A CA -0.089 51.892 52.037 -0.095 0.000 0.939 1007 A CB 0.275 19.236 19.000 -0.065 0.000 0.992 1007 A HN 0.759 nan 8.150 nan 0.000 0.502 1008 R N -1.641 118.788 120.500 -0.118 0.000 2.634 1008 R HA 0.484 4.823 4.340 -0.001 0.000 0.263 1008 R C -2.331 173.930 176.300 -0.065 0.000 1.060 1008 R CA -0.314 55.775 56.100 -0.018 0.000 0.898 1008 R CB 1.589 31.908 30.300 0.032 0.000 1.253 1008 R HN 0.305 nan 8.270 nan 0.000 0.461 1009 c N 2.584 121.177 118.600 -0.013 0.000 2.481 1009 c HA 0.613 5.183 4.570 -0.001 0.000 0.324 1009 c C -1.202 172.934 174.090 0.076 0.000 1.170 1009 c CA -0.213 56.111 56.329 -0.008 0.000 1.361 1009 c CB 1.285 43.747 42.510 -0.079 0.000 1.977 1009 c HN 0.921 nan 8.230 nan 0.000 0.459 1010 E N 2.767 123.059 120.200 0.154 0.000 2.266 1010 E HA 0.465 4.815 4.350 -0.001 0.000 0.268 1010 E C -0.987 175.780 176.600 0.279 0.000 0.879 1010 E CA -0.608 55.908 56.400 0.193 0.000 0.762 1010 E CB 1.883 31.680 29.700 0.162 0.000 1.199 1010 E HN 0.658 nan 8.360 nan 0.000 0.422 1011 R N 1.485 122.127 120.500 0.237 0.000 2.357 1011 R HA 0.369 4.708 4.340 -0.001 0.000 0.296 1011 R C -0.540 175.791 176.300 0.051 0.000 1.052 1011 R CA 0.041 56.214 56.100 0.121 0.000 0.988 1011 R CB 0.690 31.039 30.300 0.082 0.000 1.025 1011 R HN 0.693 nan 8.270 nan 0.000 0.469 1012 T N -0.229 114.328 114.554 0.005 0.000 2.888 1012 T HA 0.378 4.728 4.350 -0.001 0.000 0.288 1012 T C 0.115 174.794 174.700 -0.035 0.000 1.063 1012 T CA -0.777 61.346 62.100 0.039 0.000 1.010 1012 T CB 1.355 70.317 68.868 0.157 0.000 1.214 1012 T HN 0.612 nan 8.240 nan 0.000 0.533 1013 T N 0.183 114.720 114.554 -0.028 0.000 2.795 1013 T HA 0.241 4.590 4.350 -0.001 0.000 0.314 1013 T C 1.630 176.242 174.700 -0.147 0.000 1.069 1013 T CA -0.752 61.307 62.100 -0.068 0.000 1.071 1013 T CB -0.048 68.797 68.868 -0.037 0.000 0.988 1013 T HN 0.562 nan 8.240 nan 0.000 0.543 1014 L N 0.882 122.002 121.223 -0.171 0.000 2.362 1014 L HA -0.033 4.307 4.340 -0.001 0.000 0.219 1014 L C 2.770 179.341 176.870 -0.498 0.000 1.134 1014 L CA 1.346 56.016 54.840 -0.284 0.000 0.807 1014 L CB -1.111 40.869 42.059 -0.132 0.000 0.927 1014 L HN 0.967 nan 8.230 nan 0.000 0.447 1015 T N -4.957 109.405 114.554 -0.320 0.000 3.129 1015 T HA 0.028 4.378 4.350 -0.001 0.000 0.251 1015 T C 0.741 175.308 174.700 -0.223 0.000 1.117 1015 T CA -0.254 61.684 62.100 -0.269 0.000 1.034 1015 T CB -0.145 68.696 68.868 -0.044 0.000 0.968 1015 T HN 0.199 nan 8.240 nan 0.000 0.526 1016 F N -0.734 119.228 119.950 0.019 0.000 2.871 1016 F HA -0.206 4.320 4.527 -0.001 0.000 0.326 1016 F C 1.060 176.860 175.800 0.001 0.000 0.675 1016 F CA -0.059 57.946 58.000 0.007 0.000 1.188 1016 F CB -2.363 36.637 39.000 -0.000 0.000 1.567 1016 F HN 0.244 nan 8.300 nan 0.000 0.325 1017 L N -0.948 120.344 121.223 0.115 0.000 2.418 1017 L HA 0.049 4.388 4.340 -0.001 0.000 0.218 1017 L C 1.158 178.052 176.870 0.039 0.000 1.125 1017 L CA 1.084 55.965 54.840 0.068 0.000 0.835 1017 L CB 0.019 42.099 42.059 0.036 0.000 0.953 1017 L HN 0.361 nan 8.230 nan 0.000 0.454 1018 Q N 0.472 120.293 119.800 0.036 0.000 2.305 1018 Q HA 0.272 4.612 4.340 -0.001 0.000 0.271 1018 Q C -1.181 174.839 176.000 0.033 0.000 1.046 1018 Q CA -0.719 55.095 55.803 0.018 0.000 0.798 1018 Q CB 1.887 30.621 28.738 -0.007 0.000 1.286 1018 Q HN 0.098 nan 8.270 nan 0.000 0.435 1019 N N 4.208 122.928 118.700 0.034 0.000 2.497 1019 N HA 0.190 4.929 4.740 -0.001 0.000 0.271 1019 N C 0.249 175.780 175.510 0.036 0.000 1.142 1019 N CA 0.237 53.317 53.050 0.049 0.000 0.965 1019 N CB 1.108 39.625 38.487 0.051 0.000 1.077 1019 N HN 0.640 nan 8.380 nan 0.000 0.462 1020 L N 0.382 121.630 121.223 0.042 0.000 2.609 1020 L HA 0.313 4.653 4.340 -0.001 0.000 0.230 1020 L C 0.540 177.439 176.870 0.049 0.000 1.064 1020 L CA 0.309 55.166 54.840 0.028 0.000 0.873 1020 L CB 0.412 42.475 42.059 0.006 0.000 1.139 1020 L HN 0.518 nan 8.230 nan 0.000 0.490 1021 E N -0.204 120.043 120.200 0.079 0.000 2.321 1021 E HA 0.127 4.477 4.350 -0.001 0.000 0.281 1021 E C -1.308 175.377 176.600 0.142 0.000 0.910 1021 E CA -0.556 55.902 56.400 0.098 0.000 0.770 1021 E CB 1.512 31.262 29.700 0.083 0.000 1.225 1021 E HN 0.074 nan 8.360 nan 0.000 0.417 1022 H N 6.155 125.251 119.070 0.043 0.000 2.668 1022 H HA 0.298 4.854 4.556 -0.001 0.000 0.303 1022 H C -0.859 174.494 175.328 0.042 0.000 1.074 1022 H CA -0.400 55.670 56.048 0.038 0.000 1.406 1022 H CB 0.624 30.399 29.762 0.021 0.000 1.442 1022 H HN 0.402 nan 8.280 nan 0.000 0.482 1023 L N 5.385 126.414 121.223 -0.322 0.000 2.275 1023 L HA 0.117 4.457 4.340 -0.001 0.000 0.288 1023 L C 0.289 176.970 176.870 -0.315 0.000 1.046 1023 L CA -0.824 53.875 54.840 -0.234 0.000 0.805 1023 L CB 1.105 43.113 42.059 -0.085 0.000 1.193 1023 L HN 0.619 nan 8.230 nan 0.000 0.426 1024 D N 2.855 123.139 120.400 -0.194 0.000 2.458 1024 D HA 0.135 4.774 4.640 -0.001 0.000 0.243 1024 D C 1.181 177.431 176.300 -0.083 0.000 1.146 1024 D CA 1.217 55.136 54.000 -0.134 0.000 0.877 1024 D CB 1.326 42.085 40.800 -0.069 0.000 1.176 1024 D HN 0.852 nan 8.370 nan 0.000 0.461 1025 G N 3.086 111.852 108.800 -0.057 0.000 2.168 1025 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.263 1025 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.263 1025 G C 0.785 175.709 174.900 0.041 0.000 0.977 1025 G CA 0.414 45.513 45.100 -0.003 0.000 0.659 1025 G HN 0.641 nan 8.290 nan 0.000 0.533 1026 M N -2.554 117.027 119.600 -0.032 0.000 2.461 1026 M HA -0.184 4.295 4.480 -0.001 0.000 0.203 1026 M C 0.028 176.336 176.300 0.014 0.000 0.428 1026 M CA 0.876 56.147 55.300 -0.048 0.000 0.509 1026 M CB -1.905 30.649 32.600 -0.077 0.000 1.851 1026 M HN 0.245 nan 8.290 nan 0.000 0.834 1027 V N 0.679 120.590 119.914 -0.006 0.000 2.417 1027 V HA 0.740 4.860 4.120 -0.001 0.000 0.291 1027 V C 0.585 176.591 176.094 -0.146 0.000 1.024 1027 V CA -0.369 61.920 62.300 -0.017 0.000 0.861 1027 V CB 1.849 33.662 31.823 -0.017 0.000 0.985 1027 V HN 0.396 nan 8.190 nan 0.000 0.436 1028 A N 7.768 130.422 122.820 -0.276 0.000 2.279 1028 A HA 0.736 5.056 4.320 -0.001 0.000 0.306 1028 A C -2.420 174.902 177.584 -0.437 0.000 1.300 1028 A CA -1.413 50.242 52.037 -0.638 0.000 0.925 1028 A CB 0.002 18.332 19.000 -1.117 0.000 1.152 1028 A HN 0.632 nan 8.150 nan 0.000 0.544 1029 P HA 0.181 nan 4.420 nan 0.000 0.272 1029 P C -0.137 177.147 177.300 -0.026 0.000 1.223 1029 P CA -0.108 62.945 63.100 -0.079 0.000 0.784 1029 P CB 0.581 32.291 31.700 0.017 0.000 0.923 1030 E N -0.192 120.010 120.200 0.002 0.000 2.345 1030 E HA 0.308 4.657 4.350 -0.001 0.000 0.259 1030 E C -0.020 176.627 176.600 0.078 0.000 1.117 1030 E CA -1.022 55.406 56.400 0.046 0.000 0.913 1030 E CB 0.607 30.317 29.700 0.016 0.000 1.057 1030 E HN 0.280 nan 8.360 nan 0.000 0.432 1031 V N -1.424 118.542 119.914 0.087 0.000 2.997 1031 V HA 0.309 4.428 4.120 -0.001 0.000 0.311 1031 V C 0.179 176.270 176.094 -0.005 0.000 1.066 1031 V CA -1.052 61.282 62.300 0.057 0.000 1.039 1031 V CB 1.092 32.953 31.823 0.063 0.000 1.081 1031 V HN 0.745 nan 8.190 nan 0.000 0.467 1032 c N 2.656 121.248 118.600 -0.015 0.000 2.580 1032 c HA 0.436 5.005 4.570 -0.001 0.000 0.371 1032 c C -2.050 171.974 174.090 -0.110 0.000 1.308 1032 c CA -0.323 55.978 56.329 -0.048 0.000 2.428 1032 c CB -0.032 42.468 42.510 -0.017 0.000 2.529 1032 c HN 0.817 nan 8.230 nan 0.000 0.657 1033 P HA 0.068 nan 4.420 nan 0.000 0.265 1033 P C 0.251 177.374 177.300 -0.294 0.000 1.193 1033 P CA 0.823 63.772 63.100 -0.252 0.000 0.765 1033 P CB 0.196 31.729 31.700 -0.277 0.000 0.823 1034 M N -1.116 118.257 119.600 -0.378 0.000 2.908 1034 M HA -0.186 4.294 4.480 -0.001 0.000 0.191 1034 M C -0.145 176.107 176.300 -0.081 0.000 0.619 1034 M CA 1.392 56.444 55.300 -0.413 0.000 0.709 1034 M CB -2.050 29.984 32.600 -0.944 0.000 2.554 1034 M HN 0.424 nan 8.290 nan 0.000 0.356 1035 E N 0.368 120.529 120.200 -0.065 0.000 2.227 1035 E HA 0.712 5.061 4.350 -0.001 0.000 0.268 1035 E C 0.101 176.742 176.600 0.069 0.000 0.990 1035 E CA -0.109 56.343 56.400 0.088 0.000 0.856 1035 E CB 1.465 31.191 29.700 0.043 0.000 1.159 1035 E HN 0.143 nan 8.360 nan 0.000 0.401 1036 T N 0.442 115.061 114.554 0.110 0.000 2.886 1036 T HA 0.700 5.050 4.350 -0.001 0.000 0.292 1036 T C -0.887 173.815 174.700 0.004 0.000 1.012 1036 T CA -0.665 61.505 62.100 0.117 0.000 0.982 1036 T CB 1.647 70.598 68.868 0.138 0.000 1.018 1036 T HN 0.519 nan 8.240 nan 0.000 0.451 1037 A N 1.782 124.607 122.820 0.009 0.000 2.515 1037 A HA 1.004 5.323 4.320 -0.001 0.000 0.296 1037 A C -1.116 176.348 177.584 -0.199 0.000 1.094 1037 A CA -0.927 51.014 52.037 -0.159 0.000 0.718 1037 A CB 1.538 20.399 19.000 -0.231 0.000 1.307 1037 A HN 1.137 nan 8.150 nan 0.000 0.408 1038 A N 0.137 122.746 122.820 -0.352 0.000 2.365 1038 A HA 0.840 5.159 4.320 -0.001 0.000 0.318 1038 A C -1.590 175.807 177.584 -0.312 0.000 1.091 1038 A CA -0.356 51.601 52.037 -0.134 0.000 0.763 1038 A CB 0.803 19.756 19.000 -0.078 0.000 1.248 1038 A HN 0.882 nan 8.150 nan 0.000 0.442 1039 Y N -0.131 120.390 120.300 0.369 0.000 2.553 1039 Y HA 0.595 5.144 4.550 -0.001 0.000 0.347 1039 Y C -0.283 175.796 175.900 0.299 0.000 1.019 1039 Y CA -0.886 57.380 58.100 0.278 0.000 1.032 1039 Y CB 2.524 41.106 38.460 0.203 0.000 1.284 1039 Y HN 0.428 nan 8.280 nan 0.000 0.466 1040 V N 2.216 122.340 119.914 0.351 0.000 2.531 1040 V HA 0.519 4.639 4.120 -0.001 0.000 0.301 1040 V C -0.767 175.416 176.094 0.148 0.000 1.034 1040 V CA -0.929 61.468 62.300 0.163 0.000 0.865 1040 V CB 1.837 33.693 31.823 0.055 0.000 0.995 1040 V HN 0.829 nan 8.190 nan 0.000 0.424 1041 S N 3.275 119.069 115.700 0.156 0.000 2.525 1041 S HA 0.753 5.222 4.470 -0.001 0.000 0.290 1041 S C -0.288 174.256 174.600 -0.094 0.000 1.152 1041 S CA -0.634 57.585 58.200 0.031 0.000 1.072 1041 S CB 1.730 65.028 63.200 0.163 0.000 1.027 1041 S HN 0.547 nan 8.310 nan 0.000 0.500 1042 S N 2.097 117.606 115.700 -0.319 0.000 2.472 1042 S HA 0.536 5.006 4.470 -0.001 0.000 0.303 1042 S C -0.946 173.290 174.600 -0.607 0.000 1.099 1042 S CA -0.751 57.289 58.200 -0.266 0.000 1.077 1042 S CB 0.504 63.629 63.200 -0.126 0.000 1.031 1042 S HN 0.768 nan 8.310 nan 0.000 0.487 1043 H N 0.830 119.892 119.070 -0.013 0.000 2.679 1043 H HA 0.427 4.982 4.556 -0.001 0.000 0.360 1043 H C -0.217 175.110 175.328 -0.003 0.000 1.105 1043 H CA -0.630 55.413 56.048 -0.008 0.000 1.196 1043 H CB 1.778 31.538 29.762 -0.004 0.000 1.636 1043 H HN 0.635 nan 8.280 nan 0.000 0.531 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 58.231 58.200 0.051 0.000 1.107 1044 S CB 0.000 63.217 63.200 0.028 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517