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 1qwn_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 0.000 174.103 174.090 0.022 0.000 1.270 31 c CA 0.000 56.337 56.329 0.014 0.000 1.963 31 c CB 0.000 42.505 42.510 -0.008 0.000 2.134 32 Q N 1.323 121.152 119.800 0.048 0.000 2.392 32 Q HA 0.164 4.504 4.340 -0.001 0.000 0.262 32 Q C -0.309 175.723 176.000 0.053 0.000 1.003 32 Q CA 0.328 56.175 55.803 0.073 0.000 0.888 32 Q CB 0.821 29.640 28.738 0.136 0.000 1.260 32 Q HN 0.651 nan 8.270 nan 0.000 0.435 33 D N 1.669 122.103 120.400 0.056 0.000 2.316 33 D HA 0.069 4.708 4.640 -0.001 0.000 0.245 33 D C 0.526 176.875 176.300 0.081 0.000 1.171 33 D CA -0.267 53.747 54.000 0.024 0.000 0.856 33 D CB 1.285 42.099 40.800 0.023 0.000 1.090 33 D HN 0.381 nan 8.370 nan 0.000 0.476 34 V N 2.242 122.157 119.914 0.003 0.000 3.649 34 V HA 0.067 4.186 4.120 -0.001 0.000 0.275 34 V C 1.137 177.279 176.094 0.081 0.000 1.281 34 V CA 0.213 62.571 62.300 0.097 0.000 1.143 34 V CB 0.116 31.819 31.823 -0.200 0.000 0.892 34 V HN 0.386 nan 8.190 nan 0.000 0.441 35 V N 0.018 119.894 119.914 -0.064 0.000 2.908 35 V HA 0.096 4.215 4.120 -0.001 0.000 0.240 35 V C 2.271 178.353 176.094 -0.021 0.000 1.117 35 V CA 1.226 63.447 62.300 -0.132 0.000 1.133 35 V CB -0.027 31.668 31.823 -0.214 0.000 0.857 35 V HN 0.495 nan 8.190 nan 0.000 0.478 36 Q N -0.329 119.503 119.800 0.054 0.000 2.319 36 Q HA 0.140 4.480 4.340 -0.001 0.000 0.209 36 Q C -0.487 175.597 176.000 0.141 0.000 0.884 36 Q CA 0.205 56.059 55.803 0.085 0.000 0.938 36 Q CB 0.644 29.402 28.738 0.034 0.000 1.098 36 Q HN 0.480 nan 8.270 nan 0.000 0.517 37 D N 1.360 121.876 120.400 0.193 0.000 2.460 37 D HA 0.168 4.807 4.640 -0.001 0.000 0.232 37 D C -0.700 175.706 176.300 0.176 0.000 1.079 37 D CA -0.222 53.874 54.000 0.159 0.000 0.864 37 D CB 1.922 42.796 40.800 0.122 0.000 1.048 37 D HN -0.154 nan 8.370 nan 0.000 0.523 38 V N 4.354 124.341 119.914 0.123 0.000 2.479 38 V HA 0.114 4.233 4.120 -0.001 0.000 0.281 38 V C -1.791 174.277 176.094 -0.043 0.000 1.031 38 V CA -1.056 61.234 62.300 -0.017 0.000 1.038 38 V CB 0.310 32.133 31.823 0.001 0.000 0.981 38 V HN 0.297 nan 8.190 nan 0.000 0.478 39 P HA 0.114 nan 4.420 nan 0.000 0.268 39 P C -0.467 176.803 177.300 -0.050 0.000 1.205 39 P CA -0.197 62.869 63.100 -0.057 0.000 0.771 39 P CB 0.356 32.005 31.700 -0.085 0.000 0.858 40 N N 2.682 121.368 118.700 -0.023 0.000 2.439 40 N HA 0.336 5.075 4.740 -0.001 0.000 0.249 40 N C -1.067 174.433 175.510 -0.016 0.000 1.003 40 N CA -0.461 52.578 53.050 -0.018 0.000 0.942 40 N CB 0.150 38.635 38.487 -0.003 0.000 1.115 40 N HN 0.124 nan 8.380 nan 0.000 0.505 41 V N 0.449 120.346 119.914 -0.028 0.000 3.001 41 V HA 0.541 4.660 4.120 -0.001 0.000 0.314 41 V C 0.569 176.647 176.094 -0.026 0.000 1.099 41 V CA -0.745 61.542 62.300 -0.022 0.000 0.989 41 V CB 2.048 33.847 31.823 -0.040 0.000 1.040 41 V HN 0.411 nan 8.190 nan 0.000 0.434 42 D N 0.879 121.271 120.400 -0.014 0.000 2.149 42 D HA 0.028 4.667 4.640 -0.001 0.000 0.201 42 D C 0.458 176.726 176.300 -0.052 0.000 0.972 42 D CA 1.569 55.557 54.000 -0.019 0.000 0.835 42 D CB 0.542 41.346 40.800 0.007 0.000 0.966 42 D HN 0.413 nan 8.370 nan 0.000 0.476 43 V N 1.565 121.427 119.914 -0.087 0.000 2.482 43 V HA 0.198 4.318 4.120 -0.001 0.000 0.295 43 V C -0.392 175.604 176.094 -0.163 0.000 1.026 43 V CA -0.741 61.477 62.300 -0.138 0.000 0.856 43 V CB 2.383 34.079 31.823 -0.212 0.000 1.001 43 V HN -0.085 nan 8.190 nan 0.000 0.424 44 Q N 4.640 124.356 119.800 -0.139 0.000 2.341 44 Q HA 0.439 4.778 4.340 -0.001 0.000 0.268 44 Q C 0.439 176.341 176.000 -0.164 0.000 1.013 44 Q CA -0.696 55.017 55.803 -0.150 0.000 0.798 44 Q CB 1.896 30.568 28.738 -0.111 0.000 1.253 44 Q HN 0.669 nan 8.270 nan 0.000 0.457 45 M N 3.083 122.538 119.600 -0.242 0.000 2.213 45 M HA -0.161 4.318 4.480 -0.001 0.000 0.263 45 M C 1.603 177.799 176.300 -0.173 0.000 1.062 45 M CA 0.974 56.117 55.300 -0.261 0.000 1.105 45 M CB -0.801 31.508 32.600 -0.484 0.000 1.385 45 M HN 0.570 nan 8.290 nan 0.000 0.417 46 L N 0.638 121.755 121.223 -0.178 0.000 2.093 46 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 46 L C 2.473 179.336 176.870 -0.012 0.000 1.085 46 L CA 1.782 56.552 54.840 -0.118 0.000 0.755 46 L CB -0.618 41.346 42.059 -0.158 0.000 0.904 46 L HN 0.259 nan 8.230 nan 0.000 0.435 47 E N -0.416 119.763 120.200 -0.035 0.000 2.072 47 E HA -0.218 4.132 4.350 -0.001 0.000 0.191 47 E C 2.188 178.798 176.600 0.018 0.000 0.985 47 E CA 1.313 57.706 56.400 -0.012 0.000 0.801 47 E CB -0.256 29.423 29.700 -0.036 0.000 0.750 47 E HN 0.437 nan 8.360 nan 0.000 0.452 48 L N 0.513 121.745 121.223 0.016 0.000 2.012 48 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 48 L C 2.271 179.205 176.870 0.107 0.000 1.073 48 L CA 1.681 56.538 54.840 0.028 0.000 0.748 48 L CB -1.001 41.062 42.059 0.007 0.000 0.891 48 L HN 0.124 nan 8.230 nan 0.000 0.431 49 Y N -0.063 120.237 120.300 -0.000 0.000 2.207 49 Y HA -0.259 4.290 4.550 -0.001 0.000 0.287 49 Y C 2.563 178.555 175.900 0.152 0.000 1.156 49 Y CA 1.747 59.935 58.100 0.146 0.000 1.182 49 Y CB -0.619 37.926 38.460 0.143 0.000 0.979 49 Y HN 0.362 nan 8.280 nan 0.000 0.521 50 D N -0.506 120.002 120.400 0.180 0.000 2.144 50 D HA -0.118 4.522 4.640 -0.001 0.000 0.200 50 D C 2.019 178.358 176.300 0.065 0.000 0.978 50 D CA 1.233 55.294 54.000 0.101 0.000 0.833 50 D CB 0.073 40.908 40.800 0.058 0.000 0.961 50 D HN 0.264 nan 8.370 nan 0.000 0.470 51 R N -1.027 119.494 120.500 0.035 0.000 2.140 51 R HA 0.189 4.528 4.340 -0.001 0.000 0.213 51 R C 0.974 177.252 176.300 -0.036 0.000 1.059 51 R CA 0.101 56.198 56.100 -0.005 0.000 1.000 51 R CB 0.078 30.361 30.300 -0.028 0.000 0.910 51 R HN 0.195 nan 8.270 nan 0.000 0.455 52 M N 0.874 120.420 119.600 -0.091 0.000 2.248 52 M HA -0.033 4.446 4.480 -0.001 0.000 0.337 52 M C 1.246 177.497 176.300 -0.081 0.000 1.121 52 M CA 0.427 55.580 55.300 -0.246 0.000 1.155 52 M CB 1.314 33.503 32.600 -0.685 0.000 1.514 52 M HN 0.124 nan 8.290 nan 0.000 0.452 53 S N 0.949 116.588 115.700 -0.101 0.000 2.503 53 S HA 0.092 4.562 4.470 -0.001 0.000 0.215 53 S C 0.595 175.314 174.600 0.199 0.000 1.003 53 S CA -0.240 57.997 58.200 0.061 0.000 0.910 53 S CB -0.130 63.076 63.200 0.010 0.000 0.790 53 S HN 0.751 nan 8.310 nan 0.000 0.514 54 F N 0.931 120.813 119.950 -0.112 0.000 3.093 54 F HA -0.143 4.384 4.527 -0.001 0.000 0.287 54 F C 0.163 175.977 175.800 0.023 0.000 0.882 54 F CA 0.302 58.243 58.000 -0.099 0.000 1.063 54 F CB -1.902 37.013 39.000 -0.142 0.000 1.097 54 F HN 0.101 nan 8.300 nan 0.000 0.604 55 K N 1.093 121.575 120.400 0.137 0.000 2.350 55 K HA 0.148 4.467 4.320 -0.001 0.000 0.279 55 K C 0.307 177.019 176.600 0.187 0.000 1.027 55 K CA -0.120 56.251 56.287 0.140 0.000 0.969 55 K CB 0.580 33.123 32.500 0.072 0.000 0.954 55 K HN 0.085 nan 8.250 nan 0.000 0.474 56 D N 3.694 124.216 120.400 0.203 0.000 2.557 56 D HA 0.124 4.763 4.640 -0.001 0.000 0.236 56 D C -0.194 176.151 176.300 0.075 0.000 1.154 56 D CA -0.401 53.722 54.000 0.204 0.000 0.985 56 D CB -0.390 40.540 40.800 0.216 0.000 1.010 56 D HN 0.500 nan 8.370 nan 0.000 0.516 57 I N -0.662 119.940 120.570 0.053 0.000 2.577 57 I HA 0.430 4.599 4.170 -0.001 0.000 0.305 57 I C -0.282 175.824 176.117 -0.018 0.000 0.986 57 I CA -0.746 60.563 61.300 0.015 0.000 1.189 57 I CB 1.719 39.728 38.000 0.015 0.000 1.355 57 I HN -0.091 nan 8.210 nan 0.000 0.476 58 D N 4.567 124.955 120.400 -0.020 0.000 2.349 58 D HA 0.160 4.800 4.640 -0.001 0.000 0.266 58 D C 0.910 177.195 176.300 -0.026 0.000 1.293 58 D CA 0.165 54.147 54.000 -0.030 0.000 0.926 58 D CB 1.297 42.087 40.800 -0.016 0.000 1.090 58 D HN 0.802 nan 8.370 nan 0.000 0.502 59 G N 2.433 111.200 108.800 -0.056 0.000 3.088 59 G HA2 0.427 4.386 3.960 -0.001 0.000 0.212 59 G HA3 0.427 4.386 3.960 -0.001 0.000 0.212 59 G C 0.886 175.783 174.900 -0.005 0.000 1.173 59 G CA 0.370 45.440 45.100 -0.050 0.000 0.779 59 G HN 0.904 nan 8.290 nan 0.000 0.540 60 G N -0.625 108.178 108.800 0.005 0.000 2.445 60 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.212 60 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.212 60 G C 1.179 176.098 174.900 0.032 0.000 1.217 60 G CA 0.636 45.752 45.100 0.026 0.000 1.002 60 G HN 1.100 nan 8.290 nan 0.000 0.574 61 V N -3.582 116.350 119.914 0.031 0.000 2.392 61 V HA 0.055 4.175 4.120 -0.001 0.000 0.249 61 V C 1.455 177.577 176.094 0.046 0.000 1.059 61 V CA 2.454 64.755 62.300 0.003 0.000 1.051 61 V CB -0.584 31.207 31.823 -0.053 0.000 0.658 61 V HN 1.458 nan 8.190 nan 0.000 0.455 62 W N 2.617 123.825 121.300 -0.153 0.000 2.422 62 W HA 0.441 5.100 4.660 -0.001 0.000 0.349 62 W C 1.103 177.580 176.519 -0.070 0.000 1.062 62 W CA -1.808 55.435 57.345 -0.171 0.000 1.497 62 W CB 0.317 29.643 29.460 -0.223 0.000 1.407 62 W HN 0.049 nan 8.180 nan 0.000 0.393 63 K N 2.840 123.323 120.400 0.138 0.000 2.147 63 K HA -0.173 4.146 4.320 -0.001 0.000 0.205 63 K C 0.852 177.370 176.600 -0.137 0.000 1.049 63 K CA 1.457 57.733 56.287 -0.019 0.000 0.936 63 K CB 0.122 32.608 32.500 -0.023 0.000 0.722 63 K HN 0.574 nan 8.250 nan 0.000 0.446 64 Q N -0.653 119.027 119.800 -0.200 0.000 2.188 64 Q HA 0.167 4.506 4.340 -0.001 0.000 0.212 64 Q C 0.798 176.444 176.000 -0.589 0.000 0.846 64 Q CA -0.320 55.342 55.803 -0.235 0.000 0.989 64 Q CB 1.281 30.015 28.738 -0.007 0.000 1.114 64 Q HN 0.226 nan 8.270 nan 0.000 0.488 65 G N 0.621 108.639 108.800 -1.303 0.000 3.392 65 G HA2 0.527 4.486 3.960 -0.001 0.000 0.185 65 G HA3 0.527 4.486 3.960 -0.001 0.000 0.185 65 G C -1.429 173.147 174.900 -0.539 0.000 1.206 65 G CA -0.308 43.728 45.100 -1.773 0.000 0.776 65 G HN 0.358 nan 8.290 nan 0.000 0.697 66 W N -1.401 119.604 121.300 -0.493 0.000 2.959 66 W HA 0.635 5.295 4.660 -0.000 0.000 0.358 66 W C -1.515 175.085 176.519 0.135 0.000 1.228 66 W CA -1.173 56.114 57.345 -0.098 0.000 1.183 66 W CB 0.633 30.053 29.460 -0.066 0.000 1.467 66 W HN 0.183 nan 8.180 nan 0.000 0.578 67 N N 2.097 120.940 118.700 0.238 0.000 2.402 67 N HA 0.222 4.962 4.740 -0.001 0.000 0.259 67 N C -0.306 175.338 175.510 0.222 0.000 1.167 67 N CA 0.038 53.187 53.050 0.163 0.000 0.949 67 N CB 0.273 38.859 38.487 0.165 0.000 1.212 67 N HN 0.411 nan 8.380 nan 0.000 0.493 68 I N 2.035 122.644 120.570 0.064 0.000 2.588 68 I HA 0.021 4.190 4.170 -0.001 0.000 0.283 68 I C 0.792 177.069 176.117 0.267 0.000 1.119 68 I CA 0.276 61.686 61.300 0.183 0.000 1.419 68 I CB 0.534 38.589 38.000 0.091 0.000 1.394 68 I HN 0.133 nan 8.210 nan 0.000 0.562 69 K N 6.038 126.633 120.400 0.325 0.000 2.318 69 K HA 0.596 4.915 4.320 -0.001 0.000 0.249 69 K C -1.396 175.372 176.600 0.280 0.000 0.942 69 K CA -0.721 55.690 56.287 0.206 0.000 0.808 69 K CB 2.317 34.907 32.500 0.149 0.000 1.189 69 K HN 0.487 nan 8.250 nan 0.000 0.428 70 Y N -1.974 118.423 120.300 0.162 0.000 2.588 70 Y HA 0.408 4.958 4.550 -0.001 0.000 0.343 70 Y C -1.086 174.900 175.900 0.144 0.000 1.065 70 Y CA -1.497 56.706 58.100 0.171 0.000 1.038 70 Y CB 1.215 39.806 38.460 0.219 0.000 1.297 70 Y HN 0.392 nan 8.280 nan 0.000 0.467 71 D N 4.237 124.795 120.400 0.263 0.000 2.339 71 D HA 0.232 4.871 4.640 -0.001 0.000 0.241 71 D C -1.615 174.862 176.300 0.295 0.000 1.183 71 D CA -2.530 51.567 54.000 0.161 0.000 0.859 71 D CB 1.588 42.458 40.800 0.116 0.000 1.067 71 D HN 0.473 nan 8.370 nan 0.000 0.484 72 P HA -0.124 nan 4.420 nan 0.000 0.221 72 P C 1.449 178.917 177.300 0.280 0.000 1.145 72 P CA 0.647 63.960 63.100 0.354 0.000 0.795 72 P CB 0.394 32.226 31.700 0.220 0.000 0.775 73 L N -0.612 120.714 121.223 0.172 0.000 2.599 73 L HA 0.055 4.394 4.340 -0.001 0.000 0.230 73 L C 2.685 179.601 176.870 0.078 0.000 1.141 73 L CA 0.482 55.394 54.840 0.121 0.000 0.877 73 L CB -0.659 41.445 42.059 0.076 0.000 1.009 73 L HN -0.014 nan 8.230 nan 0.000 0.447 74 K N 0.465 120.887 120.400 0.037 0.000 2.097 74 K HA -0.133 4.186 4.320 -0.001 0.000 0.206 74 K C 0.076 176.518 176.600 -0.264 0.000 1.049 74 K CA 1.042 57.220 56.287 -0.181 0.000 0.933 74 K CB 0.067 32.347 32.500 -0.367 0.000 0.717 74 K HN 0.093 nan 8.250 nan 0.000 0.442 75 Y N 0.801 121.215 120.300 0.190 0.000 2.335 75 Y HA 0.222 4.772 4.550 -0.000 0.000 0.323 75 Y C 0.253 176.228 175.900 0.126 0.000 1.224 75 Y CA -0.816 57.383 58.100 0.166 0.000 1.241 75 Y CB 1.116 39.626 38.460 0.083 0.000 1.235 75 Y HN 0.286 nan 8.280 nan 0.000 0.492 76 N N -1.078 117.752 118.700 0.216 0.000 3.308 76 N HA 0.434 5.173 4.740 -0.001 0.000 0.276 76 N C -0.192 175.322 175.510 0.007 0.000 1.533 76 N CA -0.412 52.695 53.050 0.096 0.000 0.878 76 N CB 0.356 38.885 38.487 0.069 0.000 1.566 76 N HN 0.515 nan 8.380 nan 0.000 0.546 77 A N -1.243 121.485 122.820 -0.153 0.000 2.076 77 A HA -0.169 4.150 4.320 -0.001 0.000 0.220 77 A C 0.866 178.293 177.584 -0.263 0.000 1.160 77 A CA 1.337 53.221 52.037 -0.255 0.000 0.653 77 A CB -1.053 17.720 19.000 -0.379 0.000 0.801 77 A HN 0.682 nan 8.150 nan 0.000 0.455 78 H N -2.856 116.266 119.070 0.087 0.000 2.575 78 H HA 0.139 4.695 4.556 -0.001 0.000 0.267 78 H C -0.279 175.144 175.328 0.159 0.000 0.966 78 H CA 0.725 56.828 56.048 0.092 0.000 1.165 78 H CB 0.094 29.899 29.762 0.071 0.000 1.433 78 H HN 0.695 nan 8.280 nan 0.000 0.544 79 H N 0.749 119.881 119.070 0.104 0.000 2.852 79 H HA 0.305 4.861 4.556 -0.000 0.000 0.274 79 H C -0.703 174.709 175.328 0.140 0.000 1.321 79 H CA -0.491 55.617 56.048 0.100 0.000 1.582 79 H CB 0.301 30.108 29.762 0.074 0.000 1.699 79 H HN -0.045 nan 8.280 nan 0.000 0.546 80 K N 2.296 122.649 120.400 -0.078 0.000 2.087 80 K HA 0.311 4.630 4.320 -0.001 0.000 0.255 80 K C -0.695 175.838 176.600 -0.112 0.000 0.988 80 K CA -1.275 54.984 56.287 -0.047 0.000 0.915 80 K CB 1.768 34.227 32.500 -0.070 0.000 1.043 80 K HN 0.232 nan 8.250 nan 0.000 0.457 81 L N 2.389 123.536 121.223 -0.125 0.000 2.281 81 L HA 0.199 4.539 4.340 -0.001 0.000 0.285 81 L C -0.622 176.081 176.870 -0.279 0.000 1.074 81 L CA -0.116 54.576 54.840 -0.245 0.000 0.817 81 L CB 0.335 42.030 42.059 -0.606 0.000 1.168 81 L HN 0.348 nan 8.230 nan 0.000 0.434 82 K N 4.180 124.416 120.400 -0.275 0.000 2.234 82 K HA 0.561 4.881 4.320 -0.001 0.000 0.277 82 K C -1.528 174.762 176.600 -0.517 0.000 1.038 82 K CA -0.355 55.691 56.287 -0.402 0.000 0.888 82 K CB 1.043 33.342 32.500 -0.335 0.000 1.091 82 K HN 0.430 nan 8.250 nan 0.000 0.467 83 V N 6.102 125.589 119.914 -0.712 0.000 2.448 83 V HA 0.471 4.590 4.120 -0.001 0.000 0.295 83 V C -0.879 174.697 176.094 -0.863 0.000 1.025 83 V CA -0.683 61.146 62.300 -0.785 0.000 0.859 83 V CB 0.883 32.055 31.823 -1.086 0.000 0.988 83 V HN 0.613 nan 8.190 nan 0.000 0.431 84 F N 3.601 123.306 119.950 -0.408 0.000 2.361 84 F HA 0.492 5.019 4.527 -0.001 0.000 0.364 84 F C 0.171 175.795 175.800 -0.294 0.000 1.117 84 F CA -0.755 57.061 58.000 -0.308 0.000 1.071 84 F CB 1.775 40.664 39.000 -0.185 0.000 1.188 84 F HN 0.191 nan 8.300 nan 0.000 0.464 85 V N 5.222 125.107 119.914 -0.049 0.000 2.385 85 V HA 0.246 4.366 4.120 -0.001 0.000 0.269 85 V C -0.178 176.020 176.094 0.173 0.000 1.043 85 V CA -0.593 61.738 62.300 0.051 0.000 0.906 85 V CB 1.213 33.134 31.823 0.164 0.000 0.995 85 V HN 0.426 nan 8.190 nan 0.000 0.467 86 V N 8.509 128.475 119.914 0.086 0.000 2.293 86 V HA 0.314 4.434 4.120 -0.001 0.000 0.275 86 V C -2.348 173.792 176.094 0.076 0.000 1.021 86 V CA -1.930 60.389 62.300 0.031 0.000 0.815 86 V CB 1.402 33.154 31.823 -0.119 0.000 1.025 86 V HN 0.719 nan 8.190 nan 0.000 0.448 87 P HA 0.347 nan 4.420 nan 0.000 0.271 87 P C -0.857 176.450 177.300 0.011 0.000 1.216 87 P CA 0.229 63.306 63.100 -0.039 0.000 0.771 87 P CB 0.384 31.856 31.700 -0.379 0.000 0.864 88 H N -1.182 117.897 119.070 0.015 0.000 2.990 88 H HA 0.789 5.345 4.556 -0.001 0.000 0.336 88 H C -1.492 173.954 175.328 0.197 0.000 1.306 88 H CA -1.118 54.848 56.048 -0.136 0.000 1.118 88 H CB 0.969 30.616 29.762 -0.191 0.000 1.856 88 H HN 0.198 nan 8.280 nan 0.000 0.538 89 S N 0.690 116.418 115.700 0.047 0.000 2.776 89 S HA 0.204 4.674 4.470 -0.001 0.000 0.284 89 S C -1.819 172.718 174.600 -0.105 0.000 1.160 89 S CA -0.667 57.597 58.200 0.107 0.000 1.051 89 S CB 0.150 63.585 63.200 0.392 0.000 1.037 89 S HN 0.837 nan 8.310 nan 0.000 0.485 90 H N 4.543 123.531 119.070 -0.137 0.000 2.864 90 H HA 0.421 4.977 4.556 -0.001 0.000 0.281 90 H C -0.081 174.873 175.328 -0.623 0.000 1.093 90 H CA 0.308 56.186 56.048 -0.284 0.000 1.453 90 H CB 0.190 29.823 29.762 -0.214 0.000 1.462 90 H HN 0.563 nan 8.280 nan 0.000 0.480 91 N N 5.165 123.223 118.700 -1.070 0.000 2.446 91 N HA 0.078 4.818 4.740 -0.001 0.000 0.265 91 N C -1.184 173.836 175.510 -0.817 0.000 0.975 91 N CA -0.682 51.585 53.050 -1.305 0.000 0.928 91 N CB 1.266 39.281 38.487 -0.786 0.000 1.160 91 N HN 0.633 nan 8.380 nan 0.000 0.495 92 D N 2.776 122.763 120.400 -0.688 0.000 2.295 92 D HA 0.176 4.816 4.640 -0.001 0.000 0.248 92 D C -2.138 174.218 176.300 0.093 0.000 1.154 92 D CA -1.250 52.640 54.000 -0.184 0.000 0.857 92 D CB 1.640 42.598 40.800 0.264 0.000 1.117 92 D HN 0.179 nan 8.370 nan 0.000 0.468 93 P HA 0.226 nan 4.420 nan 0.000 0.230 93 P C -0.044 177.447 177.300 0.318 0.000 1.791 93 P CA -0.051 63.041 63.100 -0.014 0.000 1.020 93 P CB 0.250 31.804 31.700 -0.243 0.000 1.977 94 G N 0.683 109.854 108.800 0.619 0.000 3.055 94 G HA2 -0.007 3.952 3.960 -0.001 0.000 0.686 94 G HA3 -0.007 3.952 3.960 -0.001 0.000 0.686 94 G C -1.038 174.400 174.900 0.895 0.000 1.087 94 G CA -0.607 44.884 45.100 0.651 0.000 0.779 94 G HN 0.370 nan 8.290 nan 0.000 0.599 95 W N 2.355 124.002 121.300 0.579 0.000 4.511 95 W HA 0.291 4.951 4.660 -0.001 0.000 0.159 95 W C 0.809 177.511 176.519 0.306 0.000 3.471 95 W CA 0.914 58.565 57.345 0.509 0.000 1.173 95 W CB -0.747 29.091 29.460 0.631 0.000 2.090 95 W HN 0.535 nan 8.180 nan 0.000 0.393 96 I N 2.161 122.745 120.570 0.022 0.000 3.427 96 I HA 0.156 4.326 4.170 -0.001 0.000 0.288 96 I C 0.399 176.386 176.117 -0.217 0.000 1.249 96 I CA 0.991 62.116 61.300 -0.292 0.000 1.421 96 I CB -1.049 36.692 38.000 -0.432 0.000 1.086 96 I HN -0.004 nan 8.210 nan 0.000 0.448 97 Q N 0.398 119.915 119.800 -0.473 0.000 2.458 97 Q HA 0.378 4.717 4.340 -0.001 0.000 0.282 97 Q C 0.172 175.936 176.000 -0.394 0.000 1.106 97 Q CA -0.398 55.073 55.803 -0.553 0.000 0.814 97 Q CB 2.210 30.349 28.738 -0.997 0.000 1.425 97 Q HN 0.255 nan 8.270 nan 0.000 0.437 98 T N -2.336 112.100 114.554 -0.196 0.000 2.766 98 T HA 0.166 4.516 4.350 -0.001 0.000 0.295 98 T C 1.064 175.868 174.700 0.174 0.000 1.024 98 T CA -0.470 61.594 62.100 -0.060 0.000 1.018 98 T CB 0.283 69.144 68.868 -0.012 0.000 1.002 98 T HN 0.529 nan 8.240 nan 0.000 0.532 99 F N 1.154 121.182 119.950 0.129 0.000 2.063 99 F HA -0.145 4.381 4.527 -0.001 0.000 0.298 99 F C 2.472 178.462 175.800 0.317 0.000 1.109 99 F CA 2.350 60.502 58.000 0.252 0.000 1.212 99 F CB -0.324 38.712 39.000 0.062 0.000 0.973 99 F HN 0.772 nan 8.300 nan 0.000 0.480 100 E N 0.409 120.846 120.200 0.396 0.000 2.106 100 E HA -0.177 4.173 4.350 -0.001 0.000 0.192 100 E C 2.018 178.678 176.600 0.099 0.000 0.984 100 E CA 1.700 58.267 56.400 0.278 0.000 0.806 100 E CB -0.276 29.575 29.700 0.252 0.000 0.750 100 E HN 0.613 nan 8.360 nan 0.000 0.458 101 E N -1.032 119.168 120.200 0.001 0.000 2.051 101 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 101 E C 1.845 178.261 176.600 -0.306 0.000 0.991 101 E CA 1.227 57.473 56.400 -0.258 0.000 0.799 101 E CB -0.241 29.386 29.700 -0.121 0.000 0.748 101 E HN 0.358 nan 8.360 nan 0.000 0.449 102 Y N -0.642 119.618 120.300 -0.066 0.000 2.224 102 Y HA -0.249 4.301 4.550 -0.001 0.000 0.289 102 Y C 2.188 178.022 175.900 -0.111 0.000 1.146 102 Y CA 1.270 59.316 58.100 -0.089 0.000 1.182 102 Y CB -0.681 37.812 38.460 0.055 0.000 0.983 102 Y HN 0.193 nan 8.280 nan 0.000 0.524 103 Y N 0.920 121.222 120.300 0.003 0.000 2.165 103 Y HA -0.282 4.268 4.550 -0.001 0.000 0.286 103 Y C 2.257 178.108 175.900 -0.082 0.000 1.155 103 Y CA 1.824 59.875 58.100 -0.082 0.000 1.164 103 Y CB -0.320 38.097 38.460 -0.070 0.000 0.978 103 Y HN 0.066 nan 8.280 nan 0.000 0.513 104 Q N -0.779 118.906 119.800 -0.191 0.000 2.123 104 Q HA -0.146 4.194 4.340 -0.001 0.000 0.199 104 Q C 2.043 177.996 176.000 -0.079 0.000 0.966 104 Q CA 2.062 57.725 55.803 -0.233 0.000 0.845 104 Q CB -0.499 28.140 28.738 -0.164 0.000 0.907 104 Q HN 0.778 nan 8.270 nan 0.000 0.439 105 H N -0.777 118.313 119.070 0.035 0.000 2.497 105 H HA 0.075 4.630 4.556 -0.001 0.000 0.282 105 H C 0.901 176.319 175.328 0.150 0.000 1.003 105 H CA 0.603 56.704 56.048 0.088 0.000 1.307 105 H CB 0.689 30.467 29.762 0.026 0.000 1.437 105 H HN 0.187 nan 8.280 nan 0.000 0.544 106 D N -1.052 119.451 120.400 0.172 0.000 2.954 106 D HA 0.008 4.648 4.640 -0.001 0.000 0.266 106 D C 1.690 178.045 176.300 0.091 0.000 1.277 106 D CA 0.540 54.630 54.000 0.151 0.000 1.130 106 D CB 0.058 40.852 40.800 -0.010 0.000 1.440 106 D HN 0.066 nan 8.370 nan 0.000 0.427 107 T N 2.540 117.064 114.554 -0.050 0.000 2.821 107 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 107 T C 1.943 176.463 174.700 -0.300 0.000 1.046 107 T CA 1.424 63.450 62.100 -0.124 0.000 1.139 107 T CB -0.078 68.549 68.868 -0.401 0.000 0.871 107 T HN 0.246 nan 8.240 nan 0.000 0.454 108 K N 0.805 120.843 120.400 -0.603 0.000 2.147 108 K HA -0.152 4.167 4.320 -0.001 0.000 0.205 108 K C 1.924 178.250 176.600 -0.457 0.000 1.049 108 K CA 1.404 57.311 56.287 -0.634 0.000 0.936 108 K CB -0.374 31.546 32.500 -0.967 0.000 0.722 108 K HN 0.403 nan 8.250 nan 0.000 0.446 109 H N 0.988 119.975 119.070 -0.138 0.000 2.395 109 H HA 0.053 4.608 4.556 -0.001 0.000 0.299 109 H C 2.291 177.614 175.328 -0.008 0.000 1.070 109 H CA 1.392 57.418 56.048 -0.036 0.000 1.356 109 H CB -0.145 29.624 29.762 0.011 0.000 1.401 109 H HN 0.190 nan 8.280 nan 0.000 0.524 110 I N 0.775 121.421 120.570 0.126 0.000 2.163 110 I HA -0.274 3.895 4.170 -0.001 0.000 0.243 110 I C 2.432 178.563 176.117 0.024 0.000 1.085 110 I CA 1.118 62.544 61.300 0.209 0.000 1.347 110 I CB -0.258 37.935 38.000 0.323 0.000 1.044 110 I HN 0.091 nan 8.210 nan 0.000 0.408 111 L N -0.330 120.681 121.223 -0.353 0.000 2.093 111 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 111 L C 2.661 179.173 176.870 -0.597 0.000 1.085 111 L CA 1.043 55.437 54.840 -0.744 0.000 0.755 111 L CB -0.493 40.560 42.059 -1.677 0.000 0.904 111 L HN 0.173 nan 8.230 nan 0.000 0.435 112 S N 0.080 115.538 115.700 -0.403 0.000 2.368 112 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 112 S C 1.695 176.256 174.600 -0.065 0.000 1.030 112 S CA 1.311 59.521 58.200 0.017 0.000 0.999 112 S CB -0.294 62.985 63.200 0.131 0.000 0.844 112 S HN 0.451 nan 8.310 nan 0.000 0.459 113 N N 1.691 120.342 118.700 -0.081 0.000 2.354 113 N HA 0.133 4.872 4.740 -0.001 0.000 0.179 113 N C 1.697 176.843 175.510 -0.607 0.000 1.021 113 N CA 0.976 53.903 53.050 -0.205 0.000 0.887 113 N CB -0.528 37.956 38.487 -0.006 0.000 0.974 113 N HN 0.408 nan 8.380 nan 0.000 0.437 114 A N 0.977 123.511 122.820 -0.477 0.000 1.898 114 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 114 A C 2.174 179.462 177.584 -0.494 0.000 1.181 114 A CA 0.840 52.416 52.037 -0.769 0.000 0.620 114 A CB -0.651 18.186 19.000 -0.273 0.000 0.819 114 A HN 0.217 nan 8.150 nan 0.000 0.442 115 L N 0.158 121.241 121.223 -0.233 0.000 2.012 115 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 115 L C 2.465 179.252 176.870 -0.137 0.000 1.073 115 L CA 2.547 57.328 54.840 -0.098 0.000 0.748 115 L CB -0.674 41.399 42.059 0.024 0.000 0.891 115 L HN 0.497 nan 8.230 nan 0.000 0.431 116 R N -1.731 118.659 120.500 -0.184 0.000 2.070 116 R HA -0.217 4.123 4.340 -0.001 0.000 0.233 116 R C 2.505 178.686 176.300 -0.200 0.000 1.137 116 R CA 1.682 57.688 56.100 -0.157 0.000 0.945 116 R CB -0.651 29.568 30.300 -0.135 0.000 0.845 116 R HN 0.567 nan 8.270 nan 0.000 0.430 117 H N 0.555 119.330 119.070 -0.492 0.000 2.357 117 H HA -0.054 4.502 4.556 -0.001 0.000 0.301 117 H C 2.152 177.267 175.328 -0.354 0.000 1.082 117 H CA 1.700 57.447 56.048 -0.502 0.000 1.342 117 H CB 0.141 29.350 29.762 -0.922 0.000 1.389 117 H HN 0.230 nan 8.280 nan 0.000 0.511 118 L N -0.277 120.763 121.223 -0.305 0.000 2.056 118 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 118 L C 2.713 179.534 176.870 -0.081 0.000 1.078 118 L CA 1.199 55.946 54.840 -0.154 0.000 0.749 118 L CB -0.892 41.098 42.059 -0.116 0.000 0.901 118 L HN 0.434 nan 8.230 nan 0.000 0.433 119 H N 0.761 119.741 119.070 -0.150 0.000 2.319 119 H HA -0.211 4.344 4.556 -0.001 0.000 0.297 119 H C 1.267 176.525 175.328 -0.117 0.000 1.097 119 H CA 2.107 58.094 56.048 -0.102 0.000 1.285 119 H CB 0.236 29.947 29.762 -0.086 0.000 1.368 119 H HN 0.329 nan 8.280 nan 0.000 0.495 120 D N 0.300 120.626 120.400 -0.124 0.000 2.347 120 D HA 0.005 4.645 4.640 -0.001 0.000 0.213 120 D C -0.033 176.140 176.300 -0.213 0.000 0.985 120 D CA 0.434 54.317 54.000 -0.195 0.000 0.879 120 D CB 0.031 40.723 40.800 -0.180 0.000 0.919 120 D HN 0.343 nan 8.370 nan 0.000 0.526 121 N N 0.844 119.424 118.700 -0.200 0.000 2.716 121 N HA 0.143 4.882 4.740 -0.001 0.000 0.253 121 N C -2.199 173.283 175.510 -0.048 0.000 1.170 121 N CA -1.111 51.873 53.050 -0.110 0.000 0.807 121 N CB 2.370 40.798 38.487 -0.098 0.000 1.183 121 N HN -0.136 nan 8.380 nan 0.000 0.524 122 P HA -0.122 nan 4.420 nan 0.000 0.218 122 P C 0.877 178.200 177.300 0.038 0.000 1.146 122 P CA 1.305 64.396 63.100 -0.016 0.000 0.813 122 P CB 0.512 32.197 31.700 -0.026 0.000 0.778 123 E N -1.742 118.512 120.200 0.090 0.000 2.474 123 E HA 0.071 4.421 4.350 -0.001 0.000 0.194 123 E C 0.812 177.549 176.600 0.228 0.000 1.041 123 E CA 0.019 56.520 56.400 0.167 0.000 0.874 123 E CB -0.386 29.447 29.700 0.221 0.000 0.914 123 E HN 0.264 nan 8.360 nan 0.000 0.498 124 M N 1.488 121.157 119.600 0.115 0.000 2.241 124 M HA 0.131 4.611 4.480 -0.001 0.000 0.335 124 M C -0.349 175.941 176.300 -0.016 0.000 1.122 124 M CA 0.153 55.423 55.300 -0.050 0.000 1.164 124 M CB 0.537 33.110 32.600 -0.044 0.000 1.459 124 M HN -0.364 nan 8.290 nan 0.000 0.461 125 K N 2.886 123.241 120.400 -0.075 0.000 2.444 125 K HA 0.656 4.975 4.320 -0.001 0.000 0.252 125 K C -1.757 174.884 176.600 0.068 0.000 0.993 125 K CA -0.469 55.830 56.287 0.021 0.000 0.847 125 K CB 2.145 34.682 32.500 0.063 0.000 1.340 125 K HN 0.681 nan 8.250 nan 0.000 0.446 126 F N 1.348 121.219 119.950 -0.131 0.000 2.672 126 F HA 0.440 4.967 4.527 -0.001 0.000 0.311 126 F C -1.482 174.215 175.800 -0.172 0.000 1.113 126 F CA -1.224 56.684 58.000 -0.152 0.000 0.996 126 F CB 1.006 39.996 39.000 -0.017 0.000 1.286 126 F HN 0.453 nan 8.300 nan 0.000 0.441 127 I N 1.857 122.109 120.570 -0.530 0.000 2.648 127 I HA 0.613 4.782 4.170 -0.001 0.000 0.304 127 I C -1.726 173.966 176.117 -0.707 0.000 1.009 127 I CA -0.611 60.331 61.300 -0.596 0.000 1.114 127 I CB 2.503 40.088 38.000 -0.691 0.000 1.293 127 I HN 0.696 nan 8.210 nan 0.000 0.449 128 W N 4.477 125.387 121.300 -0.650 0.000 2.957 128 W HA 0.630 5.290 4.660 -0.001 0.000 0.336 128 W C -0.739 175.698 176.519 -0.137 0.000 1.087 128 W CA -0.548 56.546 57.345 -0.418 0.000 1.235 128 W CB 2.694 31.969 29.460 -0.308 0.000 1.399 128 W HN 0.786 nan 8.180 nan 0.000 0.480 129 A N 3.392 125.839 122.820 -0.622 0.000 2.013 129 A HA 0.156 4.476 4.320 -0.001 0.000 0.204 129 A C -0.012 177.522 177.584 -0.084 0.000 1.262 129 A CA 0.507 52.418 52.037 -0.210 0.000 0.800 129 A CB 0.010 18.943 19.000 -0.112 0.000 0.909 129 A HN 0.494 nan 8.150 nan 0.000 0.472 130 E N 1.046 121.091 120.200 -0.258 0.000 2.001 130 E HA 0.305 4.654 4.350 -0.001 0.000 0.279 130 E C 0.456 177.215 176.600 0.264 0.000 1.045 130 E CA -0.283 56.133 56.400 0.027 0.000 0.833 130 E CB 0.710 30.416 29.700 0.009 0.000 1.077 130 E HN 0.274 nan 8.360 nan 0.000 0.397 131 I N 1.477 122.104 120.570 0.096 0.000 2.676 131 I HA -0.196 3.974 4.170 -0.001 0.000 0.259 131 I C 1.933 177.708 176.117 -0.570 0.000 1.194 131 I CA 0.903 62.185 61.300 -0.030 0.000 1.473 131 I CB -1.407 36.635 38.000 0.069 0.000 1.096 131 I HN 0.405 nan 8.210 nan 0.000 0.443 132 S N 0.749 115.816 115.700 -1.056 0.000 2.365 132 S HA -0.254 4.215 4.470 -0.001 0.000 0.225 132 S C 2.190 176.484 174.600 -0.511 0.000 1.039 132 S CA 1.257 58.438 58.200 -1.697 0.000 1.033 132 S CB -1.116 61.147 63.200 -1.562 0.000 0.887 132 S HN 0.475 nan 8.310 nan 0.000 0.447 133 Y N 0.077 120.372 120.300 -0.008 0.000 2.220 133 Y HA 0.048 4.598 4.550 -0.001 0.000 0.291 133 Y C 2.300 178.240 175.900 0.066 0.000 1.129 133 Y CA 1.044 59.233 58.100 0.148 0.000 1.161 133 Y CB -0.392 38.259 38.460 0.319 0.000 0.997 133 Y HN 0.298 nan 8.280 nan 0.000 0.522 134 F N 0.229 120.247 119.950 0.112 0.000 2.134 134 F HA -0.217 4.310 4.527 -0.001 0.000 0.299 134 F C 2.332 177.954 175.800 -0.297 0.000 1.097 134 F CA 1.201 59.145 58.000 -0.094 0.000 1.264 134 F CB -0.459 38.481 39.000 -0.101 0.000 1.001 134 F HN -0.019 nan 8.300 nan 0.000 0.479 135 A N 0.231 122.684 122.820 -0.611 0.000 1.902 135 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 135 A C 2.167 179.598 177.584 -0.256 0.000 1.181 135 A CA 1.798 53.275 52.037 -0.934 0.000 0.623 135 A CB -0.781 17.544 19.000 -1.124 0.000 0.818 135 A HN 0.404 nan 8.150 nan 0.000 0.443 136 R N -1.212 119.196 120.500 -0.154 0.000 2.105 136 R HA -0.139 4.201 4.340 -0.001 0.000 0.239 136 R C 1.760 178.004 176.300 -0.094 0.000 1.135 136 R CA 2.015 58.046 56.100 -0.116 0.000 0.967 136 R CB -0.724 29.436 30.300 -0.232 0.000 0.861 136 R HN 0.495 nan 8.270 nan 0.000 0.442 137 F N -0.338 119.519 119.950 -0.154 0.000 2.098 137 F HA -0.088 4.438 4.527 -0.001 0.000 0.294 137 F C 1.943 177.644 175.800 -0.165 0.000 1.107 137 F CA 1.470 59.437 58.000 -0.054 0.000 1.234 137 F CB -0.810 38.087 39.000 -0.171 0.000 1.002 137 F HN 0.113 nan 8.300 nan 0.000 0.472 138 Y N 0.336 120.368 120.300 -0.447 0.000 2.181 138 Y HA -0.273 4.277 4.550 -0.001 0.000 0.288 138 Y C 2.707 178.403 175.900 -0.340 0.000 1.146 138 Y CA 2.319 60.160 58.100 -0.431 0.000 1.164 138 Y CB -0.846 37.489 38.460 -0.207 0.000 0.982 138 Y HN 0.140 nan 8.280 nan 0.000 0.515 139 H N -0.564 118.441 119.070 -0.108 0.000 2.457 139 H HA -0.101 4.455 4.556 -0.001 0.000 0.294 139 H C 1.213 176.392 175.328 -0.248 0.000 1.064 139 H CA 1.601 57.546 56.048 -0.172 0.000 1.330 139 H CB -0.186 29.562 29.762 -0.022 0.000 1.395 139 H HN 0.448 nan 8.280 nan 0.000 0.541 140 D N 0.105 120.400 120.400 -0.174 0.000 2.355 140 D HA 0.051 4.691 4.640 -0.001 0.000 0.218 140 D C 0.611 176.728 176.300 -0.304 0.000 1.004 140 D CA 0.088 53.975 54.000 -0.190 0.000 0.880 140 D CB 0.179 40.904 40.800 -0.125 0.000 0.911 140 D HN 0.191 nan 8.370 nan 0.000 0.528 141 L N 0.520 121.463 121.223 -0.467 0.000 2.417 141 L HA 0.308 4.648 4.340 -0.001 0.000 0.268 141 L C 1.391 178.079 176.870 -0.304 0.000 1.158 141 L CA -0.614 53.959 54.840 -0.445 0.000 0.819 141 L CB 0.899 42.635 42.059 -0.538 0.000 1.112 141 L HN -0.024 nan 8.230 nan 0.000 0.458 142 G N 0.806 109.478 108.800 -0.212 0.000 2.636 142 G HA2 0.022 3.981 3.960 -0.001 0.000 0.246 142 G HA3 0.022 3.981 3.960 -0.001 0.000 0.246 142 G C 0.644 175.459 174.900 -0.142 0.000 1.216 142 G CA -0.284 44.729 45.100 -0.145 0.000 0.854 142 G HN 0.800 nan 8.290 nan 0.000 0.572 143 E N 0.154 120.297 120.200 -0.095 0.000 2.118 143 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 143 E C 2.210 178.786 176.600 -0.041 0.000 0.992 143 E CA 1.545 57.907 56.400 -0.064 0.000 0.804 143 E CB -0.109 29.574 29.700 -0.029 0.000 0.741 143 E HN 0.584 nan 8.360 nan 0.000 0.458 144 N N 0.123 118.797 118.700 -0.042 0.000 2.084 144 N HA -0.185 4.554 4.740 -0.001 0.000 0.190 144 N C 1.395 176.884 175.510 -0.035 0.000 1.030 144 N CA 1.296 54.328 53.050 -0.031 0.000 0.849 144 N CB 0.020 38.484 38.487 -0.039 0.000 1.012 144 N HN 0.016 nan 8.380 nan 0.000 0.423 145 K N 1.295 121.657 120.400 -0.062 0.000 2.155 145 K HA -0.012 4.307 4.320 -0.001 0.000 0.203 145 K C 2.027 178.623 176.600 -0.007 0.000 1.052 145 K CA 0.637 56.890 56.287 -0.056 0.000 0.948 145 K CB -0.212 32.233 32.500 -0.091 0.000 0.728 145 K HN 0.323 nan 8.250 nan 0.000 0.448 146 K N 0.751 121.123 120.400 -0.047 0.000 2.063 146 K HA -0.071 4.249 4.320 -0.001 0.000 0.208 146 K C 2.247 178.958 176.600 0.185 0.000 1.048 146 K CA 1.092 57.409 56.287 0.050 0.000 0.928 146 K CB -0.199 32.241 32.500 -0.101 0.000 0.713 146 K HN 0.040 nan 8.250 nan 0.000 0.442 147 L N 1.008 122.294 121.223 0.106 0.000 2.056 147 L HA -0.215 4.125 4.340 -0.001 0.000 0.207 147 L C 2.569 179.508 176.870 0.115 0.000 1.078 147 L CA 1.264 56.172 54.840 0.112 0.000 0.749 147 L CB -0.399 41.703 42.059 0.070 0.000 0.901 147 L HN 0.256 nan 8.230 nan 0.000 0.433 148 Q N -0.840 119.010 119.800 0.084 0.000 2.084 148 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 148 Q C 2.217 178.303 176.000 0.142 0.000 0.978 148 Q CA 1.702 57.558 55.803 0.088 0.000 0.844 148 Q CB -0.207 28.523 28.738 -0.013 0.000 0.898 148 Q HN 0.366 nan 8.270 nan 0.000 0.426 149 M N 1.182 120.894 119.600 0.186 0.000 2.086 149 M HA -0.147 4.333 4.480 -0.001 0.000 0.261 149 M C 1.609 178.075 176.300 0.276 0.000 1.067 149 M CA 1.762 57.228 55.300 0.278 0.000 1.116 149 M CB 0.021 32.871 32.600 0.417 0.000 1.348 149 M HN -0.091 nan 8.290 nan 0.000 0.407 150 K N -0.394 120.164 120.400 0.263 0.000 2.147 150 K HA -0.130 4.190 4.320 -0.001 0.000 0.205 150 K C 2.090 178.778 176.600 0.147 0.000 1.049 150 K CA 1.676 58.088 56.287 0.208 0.000 0.936 150 K CB -0.405 32.205 32.500 0.183 0.000 0.722 150 K HN 0.605 nan 8.250 nan 0.000 0.446 151 S N 1.786 117.566 115.700 0.133 0.000 2.368 151 S HA -0.137 4.333 4.470 -0.001 0.000 0.224 151 S C 2.136 176.789 174.600 0.088 0.000 1.029 151 S CA 1.183 59.443 58.200 0.100 0.000 0.988 151 S CB -0.727 62.534 63.200 0.102 0.000 0.838 151 S HN 0.457 nan 8.310 nan 0.000 0.462 152 I N -0.366 120.266 120.570 0.104 0.000 2.830 152 I HA 0.066 4.236 4.170 -0.001 0.000 0.263 152 I C 1.973 178.120 176.117 0.050 0.000 1.230 152 I CA 0.592 61.935 61.300 0.072 0.000 1.480 152 I CB -0.408 37.636 38.000 0.072 0.000 1.095 152 I HN 0.152 nan 8.210 nan 0.000 0.455 153 V N 1.460 121.420 119.914 0.077 0.000 2.379 153 V HA -0.162 3.958 4.120 -0.001 0.000 0.243 153 V C 2.679 178.802 176.094 0.048 0.000 1.035 153 V CA 1.857 64.188 62.300 0.052 0.000 1.035 153 V CB -0.644 31.268 31.823 0.148 0.000 0.673 153 V HN 0.421 nan 8.190 nan 0.000 0.457 154 K N 0.565 121.002 120.400 0.063 0.000 2.147 154 K HA -0.124 4.195 4.320 -0.001 0.000 0.205 154 K C 1.043 177.658 176.600 0.025 0.000 1.049 154 K CA 1.377 57.690 56.287 0.043 0.000 0.936 154 K CB -0.043 32.485 32.500 0.046 0.000 0.722 154 K HN 0.447 nan 8.250 nan 0.000 0.446 155 N N 0.045 118.760 118.700 0.025 0.000 2.376 155 N HA 0.067 4.807 4.740 -0.001 0.000 0.249 155 N C 0.208 175.722 175.510 0.006 0.000 1.140 155 N CA 0.702 53.760 53.050 0.014 0.000 0.870 155 N CB 1.196 39.692 38.487 0.016 0.000 1.124 155 N HN 0.405 nan 8.380 nan 0.000 0.505 156 G N 1.127 109.926 108.800 -0.003 0.000 2.175 156 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.265 156 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.265 156 G C 0.966 175.853 174.900 -0.022 0.000 0.979 156 G CA 0.559 45.647 45.100 -0.020 0.000 0.663 156 G HN 0.421 nan 8.290 nan 0.000 0.533 157 Q N -1.513 118.281 119.800 -0.010 0.000 2.062 157 Q HA 0.226 4.566 4.340 -0.001 0.000 0.196 157 Q C 1.078 177.071 176.000 -0.011 0.000 0.967 157 Q CA 0.855 56.658 55.803 -0.000 0.000 0.832 157 Q CB 0.181 28.924 28.738 0.009 0.000 0.899 157 Q HN 0.519 nan 8.270 nan 0.000 0.442 158 L N 1.336 122.532 121.223 -0.044 0.000 2.272 158 L HA 0.292 4.632 4.340 -0.001 0.000 0.289 158 L C -0.940 175.754 176.870 -0.292 0.000 1.032 158 L CA -0.055 54.714 54.840 -0.119 0.000 0.810 158 L CB 1.457 43.455 42.059 -0.102 0.000 1.205 158 L HN -0.045 nan 8.230 nan 0.000 0.422 159 E N 4.335 124.322 120.200 -0.355 0.000 2.210 159 E HA 0.352 4.702 4.350 -0.001 0.000 0.266 159 E C -1.444 174.870 176.600 -0.475 0.000 0.883 159 E CA -0.689 55.497 56.400 -0.357 0.000 0.761 159 E CB 1.004 30.580 29.700 -0.207 0.000 1.156 159 E HN 0.501 nan 8.360 nan 0.000 0.412 160 F N 3.249 123.149 119.950 -0.084 0.000 2.427 160 F HA 0.218 4.745 4.527 -0.001 0.000 0.352 160 F C 0.319 176.084 175.800 -0.059 0.000 1.100 160 F CA -0.552 57.410 58.000 -0.063 0.000 1.191 160 F CB 1.171 40.146 39.000 -0.041 0.000 1.128 160 F HN 0.185 nan 8.300 nan 0.000 0.533 161 V N 0.102 120.069 119.914 0.089 0.000 2.495 161 V HA 0.606 4.725 4.120 -0.001 0.000 0.298 161 V C 0.222 176.435 176.094 0.198 0.000 1.031 161 V CA -0.514 61.831 62.300 0.075 0.000 0.871 161 V CB 0.876 32.624 31.823 -0.124 0.000 0.988 161 V HN 1.000 nan 8.190 nan 0.000 0.432 162 T N 3.316 118.063 114.554 0.321 0.000 12.940 162 T HA -0.310 4.040 4.350 -0.001 0.000 0.419 162 T C 1.745 176.672 174.700 0.378 0.000 1.444 162 T CA 2.889 65.232 62.100 0.405 0.000 2.373 162 T CB -1.686 67.323 68.868 0.236 0.000 2.821 162 T HN 2.776 nan 8.240 nan 0.000 0.696 163 G N 1.806 110.767 108.800 0.268 0.000 2.136 163 G HA2 0.116 4.076 3.960 -0.001 0.000 0.242 163 G HA3 0.116 4.076 3.960 -0.001 0.000 0.242 163 G C 0.307 175.348 174.900 0.235 0.000 0.989 163 G CA 0.578 45.815 45.100 0.228 0.000 0.682 163 G HN 1.555 nan 8.290 nan 0.000 0.522 164 G N -1.643 107.295 108.800 0.229 0.000 2.599 164 G HA2 0.376 4.335 3.960 -0.001 0.000 0.264 164 G HA3 0.376 4.335 3.960 -0.001 0.000 0.264 164 G C 0.972 176.048 174.900 0.292 0.000 1.200 164 G CA 0.165 45.413 45.100 0.246 0.000 0.896 164 G HN 0.335 nan 8.290 nan 0.000 0.536 165 W N 0.242 121.590 121.300 0.080 0.000 2.342 165 W HA -0.040 4.620 4.660 -0.001 0.000 0.297 165 W C 0.671 177.222 176.519 0.055 0.000 1.213 165 W CA 1.921 59.299 57.345 0.055 0.000 1.251 165 W CB 0.236 29.712 29.460 0.027 0.000 1.136 165 W HN 0.398 nan 8.180 nan 0.000 0.526 166 V N -2.711 117.322 119.914 0.197 0.000 3.105 166 V HA 0.498 4.617 4.120 -0.001 0.000 0.311 166 V C -0.446 175.736 176.094 0.146 0.000 1.287 166 V CA -1.286 61.075 62.300 0.103 0.000 1.066 166 V CB 1.722 33.625 31.823 0.133 0.000 1.105 166 V HN -0.052 nan 8.190 nan 0.000 0.462 167 M N 3.991 123.706 119.600 0.191 0.000 2.103 167 M HA 0.516 4.996 4.480 -0.001 0.000 0.350 167 M C -2.705 173.759 176.300 0.273 0.000 1.100 167 M CA -1.889 53.544 55.300 0.223 0.000 1.042 167 M CB 1.473 34.233 32.600 0.267 0.000 1.368 167 M HN 0.648 nan 8.290 nan 0.000 0.404 168 P HA 0.120 nan 4.420 nan 0.000 0.274 168 P C -0.942 176.367 177.300 0.015 0.000 1.231 168 P CA -0.163 62.988 63.100 0.085 0.000 0.790 168 P CB 0.589 32.326 31.700 0.061 0.000 0.951 169 D N 0.755 121.123 120.400 -0.054 0.000 2.449 169 D HA -0.073 4.566 4.640 -0.001 0.000 0.236 169 D C 0.688 176.991 176.300 0.004 0.000 1.149 169 D CA 0.648 54.590 54.000 -0.097 0.000 0.878 169 D CB 0.443 41.199 40.800 -0.075 0.000 1.198 169 D HN 0.317 nan 8.370 nan 0.000 0.446 170 E N 1.324 121.568 120.200 0.073 0.000 2.526 170 E HA 0.197 4.547 4.350 -0.001 0.000 0.208 170 E C 0.838 177.608 176.600 0.283 0.000 0.997 170 E CA 0.023 56.535 56.400 0.187 0.000 0.961 170 E CB 0.704 30.531 29.700 0.212 0.000 1.030 170 E HN 0.465 nan 8.360 nan 0.000 0.483 171 A N 1.422 124.358 122.820 0.193 0.000 1.901 171 A HA 0.029 4.349 4.320 -0.001 0.000 0.210 171 A C 1.820 179.291 177.584 -0.188 0.000 1.208 171 A CA 0.555 52.487 52.037 -0.175 0.000 0.644 171 A CB 0.053 18.927 19.000 -0.210 0.000 0.863 171 A HN 0.027 nan 8.150 nan 0.000 0.454 172 N N -0.012 118.662 118.700 -0.044 0.000 2.356 172 N HA 0.031 4.771 4.740 -0.001 0.000 0.178 172 N C 0.586 176.080 175.510 -0.026 0.000 1.075 172 N CA 0.396 53.414 53.050 -0.052 0.000 0.889 172 N CB 0.138 38.635 38.487 0.017 0.000 0.999 172 N HN 0.323 nan 8.380 nan 0.000 0.464 173 S N 0.876 116.571 115.700 -0.008 0.000 2.549 173 S HA -0.051 4.419 4.470 -0.001 0.000 0.283 173 S C -0.110 174.501 174.600 0.018 0.000 1.320 173 S CA -0.391 57.817 58.200 0.013 0.000 1.058 173 S CB 0.272 63.483 63.200 0.018 0.000 0.882 173 S HN 0.226 nan 8.310 nan 0.000 0.498 174 H N 5.647 124.697 119.070 -0.033 0.000 2.582 174 H HA 0.066 4.622 4.556 -0.001 0.000 0.345 174 H C 1.378 176.685 175.328 -0.035 0.000 1.104 174 H CA -0.043 55.975 56.048 -0.050 0.000 1.390 174 H CB 0.466 30.151 29.762 -0.129 0.000 1.461 174 H HN 0.980 nan 8.280 nan 0.000 0.551 175 W N 5.774 126.978 121.300 -0.159 0.000 2.331 175 W HA -0.189 4.471 4.660 -0.001 0.000 0.291 175 W C 1.121 177.713 176.519 0.123 0.000 1.214 175 W CA 0.476 57.808 57.345 -0.022 0.000 1.228 175 W CB -0.509 28.882 29.460 -0.116 0.000 1.135 175 W HN 0.536 nan 8.180 nan 0.000 0.537 176 R N 0.805 120.951 120.500 -0.591 0.000 2.096 176 R HA -0.138 4.202 4.340 -0.001 0.000 0.235 176 R C 2.032 178.180 176.300 -0.252 0.000 1.127 176 R CA 1.932 57.588 56.100 -0.740 0.000 0.968 176 R CB -0.433 29.370 30.300 -0.829 0.000 0.861 176 R HN 0.155 nan 8.270 nan 0.000 0.440 177 N N -0.180 118.451 118.700 -0.114 0.000 2.354 177 N HA -0.061 4.679 4.740 -0.001 0.000 0.179 177 N C 1.713 177.229 175.510 0.009 0.000 1.021 177 N CA 0.713 53.735 53.050 -0.047 0.000 0.887 177 N CB 0.002 38.477 38.487 -0.019 0.000 0.974 177 N HN 0.008 nan 8.380 nan 0.000 0.437 178 V N 1.406 121.349 119.914 0.047 0.000 2.343 178 V HA -0.161 3.958 4.120 -0.001 0.000 0.247 178 V C 2.307 178.447 176.094 0.077 0.000 1.051 178 V CA 1.038 63.383 62.300 0.075 0.000 1.036 178 V CB -0.448 31.438 31.823 0.106 0.000 0.654 178 V HN 0.191 nan 8.190 nan 0.000 0.451 179 L N -0.325 120.953 121.223 0.091 0.000 2.093 179 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 179 L C 2.147 179.033 176.870 0.026 0.000 1.085 179 L CA 1.727 56.615 54.840 0.080 0.000 0.755 179 L CB -0.646 41.496 42.059 0.137 0.000 0.904 179 L HN 0.274 nan 8.230 nan 0.000 0.435 180 L N -0.035 121.182 121.223 -0.009 0.000 2.012 180 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 180 L C 2.576 179.442 176.870 -0.007 0.000 1.073 180 L CA 2.340 57.164 54.840 -0.027 0.000 0.748 180 L CB -0.733 41.290 42.059 -0.059 0.000 0.891 180 L HN 0.676 nan 8.230 nan 0.000 0.431 181 Q N -1.054 118.764 119.800 0.029 0.000 2.172 181 Q HA -0.182 4.158 4.340 -0.001 0.000 0.200 181 Q C 2.023 178.110 176.000 0.145 0.000 0.964 181 Q CA 1.950 57.805 55.803 0.087 0.000 0.855 181 Q CB -1.151 27.672 28.738 0.142 0.000 0.918 181 Q HN 0.457 nan 8.270 nan 0.000 0.444 182 L N 0.897 122.190 121.223 0.117 0.000 2.017 182 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 182 L C 1.929 178.883 176.870 0.140 0.000 1.073 182 L CA 2.481 57.403 54.840 0.136 0.000 0.745 182 L CB -1.021 41.094 42.059 0.094 0.000 0.894 182 L HN 0.340 nan 8.230 nan 0.000 0.432 183 T N -1.044 113.563 114.554 0.088 0.000 2.821 183 T HA -0.173 4.177 4.350 -0.001 0.000 0.267 183 T C 1.722 176.481 174.700 0.098 0.000 1.046 183 T CA 1.384 63.530 62.100 0.077 0.000 1.139 183 T CB -0.151 68.735 68.868 0.031 0.000 0.871 183 T HN 0.331 nan 8.240 nan 0.000 0.454 184 E N 1.011 121.245 120.200 0.057 0.000 2.051 184 E HA -0.039 4.311 4.350 -0.001 0.000 0.192 184 E C 2.345 179.080 176.600 0.225 0.000 0.991 184 E CA 1.521 57.914 56.400 -0.011 0.000 0.799 184 E CB -0.839 28.672 29.700 -0.315 0.000 0.748 184 E HN 0.445 nan 8.360 nan 0.000 0.449 185 G N -0.147 108.881 108.800 0.380 0.000 2.402 185 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.216 185 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.216 185 G C 1.489 176.612 174.900 0.372 0.000 1.162 185 G CA 0.627 46.034 45.100 0.510 0.000 0.777 185 G HN 0.254 nan 8.290 nan 0.000 0.539 186 Q N -0.156 119.799 119.800 0.258 0.000 2.172 186 Q HA -0.056 4.284 4.340 -0.001 0.000 0.200 186 Q C 2.798 178.898 176.000 0.166 0.000 0.964 186 Q CA 1.409 57.324 55.803 0.187 0.000 0.855 186 Q CB -0.202 28.628 28.738 0.153 0.000 0.918 186 Q HN 0.406 nan 8.270 nan 0.000 0.444 187 T N 0.209 114.872 114.554 0.182 0.000 2.746 187 T HA -0.188 4.161 4.350 -0.001 0.000 0.267 187 T C 1.092 175.890 174.700 0.163 0.000 1.039 187 T CA 1.120 63.302 62.100 0.137 0.000 1.142 187 T CB -0.374 68.572 68.868 0.129 0.000 0.866 187 T HN 0.470 nan 8.240 nan 0.000 0.444 188 W N 1.586 122.988 121.300 0.171 0.000 2.355 188 W HA -0.048 4.612 4.660 -0.001 0.000 0.309 188 W C 1.816 178.454 176.519 0.199 0.000 1.206 188 W CA 0.942 58.468 57.345 0.302 0.000 1.284 188 W CB -0.470 29.232 29.460 0.403 0.000 1.145 188 W HN 0.146 nan 8.180 nan 0.000 0.502 189 L N 0.593 122.011 121.223 0.326 0.000 2.046 189 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 189 L C 2.617 179.412 176.870 -0.125 0.000 1.077 189 L CA 1.891 56.753 54.840 0.037 0.000 0.747 189 L CB -0.948 41.084 42.059 -0.045 0.000 0.896 189 L HN -0.017 nan 8.230 nan 0.000 0.432 190 K N -0.009 120.341 120.400 -0.083 0.000 2.057 190 K HA -0.264 4.055 4.320 -0.001 0.000 0.207 190 K C 2.197 178.656 176.600 -0.235 0.000 1.049 190 K CA 1.635 57.849 56.287 -0.121 0.000 0.931 190 K CB -0.033 32.423 32.500 -0.072 0.000 0.714 190 K HN 0.261 nan 8.250 nan 0.000 0.440 191 Q N -0.719 118.867 119.800 -0.357 0.000 2.046 191 Q HA -0.145 4.195 4.340 -0.001 0.000 0.200 191 Q C 1.587 177.095 176.000 -0.821 0.000 0.975 191 Q CA 1.823 57.251 55.803 -0.625 0.000 0.836 191 Q CB 0.003 28.227 28.738 -0.857 0.000 0.896 191 Q HN 0.345 nan 8.270 nan 0.000 0.428 192 F N -1.434 118.130 119.950 -0.643 0.000 2.582 192 F HA 0.082 4.608 4.527 -0.001 0.000 0.290 192 F C 1.642 177.138 175.800 -0.506 0.000 1.115 192 F CA 0.066 57.639 58.000 -0.712 0.000 1.445 192 F CB 0.403 38.539 39.000 -1.440 0.000 1.126 192 F HN 0.121 nan 8.300 nan 0.000 0.574 193 M N -0.912 118.529 119.600 -0.265 0.000 2.308 193 M HA 0.209 4.689 4.480 -0.001 0.000 0.269 193 M C 0.323 176.593 176.300 -0.049 0.000 1.040 193 M CA -0.003 55.244 55.300 -0.088 0.000 1.024 193 M CB -1.176 31.407 32.600 -0.030 0.000 1.465 193 M HN 0.079 nan 8.290 nan 0.000 0.517 194 N N 1.711 120.351 118.700 -0.101 0.000 2.740 194 N HA -0.130 4.609 4.740 -0.001 0.000 0.248 194 N C -0.989 174.500 175.510 -0.035 0.000 1.062 194 N CA 0.775 53.782 53.050 -0.071 0.000 0.704 194 N CB -0.895 37.563 38.487 -0.049 0.000 0.968 194 N HN 0.350 nan 8.380 nan 0.000 0.547 195 V N -3.989 115.907 119.914 -0.030 0.000 3.049 195 V HA 0.874 4.993 4.120 -0.001 0.000 0.309 195 V C -0.023 176.058 176.094 -0.021 0.000 1.148 195 V CA -0.477 61.821 62.300 -0.004 0.000 0.990 195 V CB 2.346 34.211 31.823 0.070 0.000 1.039 195 V HN 0.053 nan 8.190 nan 0.000 0.430 196 T N 3.702 118.234 114.554 -0.038 0.000 2.930 196 T HA 0.581 4.931 4.350 -0.001 0.000 0.313 196 T C -2.767 171.854 174.700 -0.132 0.000 1.019 196 T CA -0.770 61.289 62.100 -0.067 0.000 1.004 196 T CB 1.403 70.222 68.868 -0.082 0.000 0.987 196 T HN 0.765 nan 8.240 nan 0.000 0.456 197 P HA 0.177 nan 4.420 nan 0.000 0.266 197 P C 0.846 177.754 177.300 -0.652 0.000 1.195 197 P CA -0.166 62.812 63.100 -0.203 0.000 0.768 197 P CB 0.545 32.239 31.700 -0.009 0.000 0.838 198 T N -1.687 112.537 114.554 -0.550 0.000 3.040 198 T HA 0.542 4.891 4.350 -0.001 0.000 0.266 198 T C 0.338 174.844 174.700 -0.323 0.000 1.005 198 T CA -0.279 61.380 62.100 -0.735 0.000 0.906 198 T CB 0.137 68.785 68.868 -0.366 0.000 1.082 198 T HN 0.406 nan 8.240 nan 0.000 0.531 199 A N 0.829 123.615 122.820 -0.057 0.000 2.355 199 A HA 0.805 5.124 4.320 -0.001 0.000 0.317 199 A C -0.196 177.646 177.584 0.430 0.000 1.094 199 A CA -0.707 51.449 52.037 0.198 0.000 0.764 199 A CB 1.851 20.980 19.000 0.216 0.000 1.230 199 A HN 0.260 nan 8.150 nan 0.000 0.448 200 S N 2.021 117.968 115.700 0.413 0.000 2.549 200 S HA 0.687 5.156 4.470 -0.001 0.000 0.297 200 S C -1.184 173.611 174.600 0.325 0.000 1.115 200 S CA -0.432 57.959 58.200 0.318 0.000 1.059 200 S CB 0.797 64.018 63.200 0.036 0.000 1.046 200 S HN 0.810 nan 8.310 nan 0.000 0.506 201 W N 4.539 125.858 121.300 0.032 0.000 2.499 201 W HA 0.638 5.297 4.660 -0.001 0.000 0.320 201 W C -1.522 174.950 176.519 -0.079 0.000 1.010 201 W CA -0.830 56.486 57.345 -0.048 0.000 1.267 201 W CB 1.168 30.571 29.460 -0.095 0.000 1.316 201 W HN 0.789 nan 8.180 nan 0.000 0.431 202 A N 7.929 130.618 122.820 -0.217 0.000 2.763 202 A HA 0.297 4.616 4.320 -0.001 0.000 0.325 202 A C 0.216 177.561 177.584 -0.397 0.000 1.209 202 A CA -0.484 51.427 52.037 -0.210 0.000 0.764 202 A CB -0.270 18.727 19.000 -0.004 0.000 1.120 202 A HN 0.710 nan 8.150 nan 0.000 0.463 203 I N -2.612 117.538 120.570 -0.700 0.000 3.603 203 I HA 0.288 4.458 4.170 -0.001 0.000 0.297 203 I C 0.727 176.494 176.117 -0.583 0.000 1.269 203 I CA 0.752 61.585 61.300 -0.778 0.000 1.361 203 I CB 0.424 37.681 38.000 -1.237 0.000 1.063 203 I HN 0.320 nan 8.210 nan 0.000 0.448 204 D N 0.465 120.486 120.400 -0.632 0.000 2.498 204 D HA 0.251 4.890 4.640 -0.001 0.000 0.223 204 D C -2.173 173.720 176.300 -0.677 0.000 1.125 204 D CA -0.788 52.847 54.000 -0.609 0.000 0.835 204 D CB 0.077 40.435 40.800 -0.736 0.000 1.086 204 D HN 0.204 nan 8.370 nan 0.000 0.510 205 P HA 0.046 nan 4.420 nan 0.000 0.268 205 P C -0.542 176.328 177.300 -0.716 0.000 1.208 205 P CA 0.007 62.599 63.100 -0.847 0.000 0.777 205 P CB 0.211 31.553 31.700 -0.597 0.000 0.875 206 F N 1.755 121.464 119.950 -0.401 0.000 2.499 206 F HA 0.560 5.086 4.527 -0.001 0.000 0.353 206 F C 1.387 177.124 175.800 -0.104 0.000 1.196 206 F CA -0.729 56.985 58.000 -0.476 0.000 1.244 206 F CB -1.000 37.842 39.000 -0.264 0.000 1.577 206 F HN 0.527 nan 8.300 nan 0.000 0.614 207 G N 1.395 109.969 108.800 -0.377 0.000 2.662 207 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 207 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 207 G C -1.495 173.066 174.900 -0.565 0.000 1.271 207 G CA -1.150 43.828 45.100 -0.204 0.000 0.816 207 G HN 0.636 nan 8.290 nan 0.000 0.608 208 H N -0.570 118.219 119.070 -0.470 0.000 2.717 208 H HA 0.745 5.301 4.556 -0.001 0.000 0.366 208 H C -0.339 174.875 175.328 -0.189 0.000 1.132 208 H CA 0.050 55.996 56.048 -0.170 0.000 1.180 208 H CB 2.048 31.867 29.762 0.095 0.000 1.678 208 H HN 0.681 nan 8.280 nan 0.000 0.537 209 S N 2.312 118.147 115.700 0.225 0.000 2.501 209 S HA 0.259 4.729 4.470 -0.001 0.000 0.301 209 S C -1.767 172.863 174.600 0.050 0.000 1.096 209 S CA -1.794 56.548 58.200 0.237 0.000 1.063 209 S CB 1.316 64.698 63.200 0.303 0.000 1.042 209 S HN 0.449 nan 8.310 nan 0.000 0.494 210 P HA 0.009 nan 4.420 nan 0.000 0.234 210 P C 1.091 178.133 177.300 -0.430 0.000 1.167 210 P CA 0.772 63.481 63.100 -0.651 0.000 0.763 210 P CB -0.246 31.233 31.700 -0.367 0.000 0.835 211 T N -0.171 114.268 114.554 -0.192 0.000 2.833 211 T HA -0.091 4.259 4.350 -0.001 0.000 0.269 211 T C 1.839 176.491 174.700 -0.079 0.000 1.054 211 T CA 1.182 63.210 62.100 -0.119 0.000 1.135 211 T CB -0.393 68.445 68.868 -0.049 0.000 0.869 211 T HN -0.007 nan 8.240 nan 0.000 0.466 212 M N 0.983 120.499 119.600 -0.140 0.000 2.059 212 M HA -0.008 4.471 4.480 -0.001 0.000 0.259 212 M C -0.616 175.549 176.300 -0.224 0.000 1.072 212 M CA 1.334 56.548 55.300 -0.142 0.000 1.117 212 M CB -2.535 30.009 32.600 -0.094 0.000 1.320 212 M HN 0.133 nan 8.290 nan 0.000 0.408 213 P HA -0.196 nan 4.420 nan 0.000 0.218 213 P C 1.676 178.855 177.300 -0.202 0.000 1.149 213 P CA 1.413 64.323 63.100 -0.317 0.000 0.817 213 P CB -0.438 30.976 31.700 -0.478 0.000 0.785 214 Y N 1.116 121.232 120.300 -0.308 0.000 2.097 214 Y HA -0.213 4.337 4.550 -0.001 0.000 0.282 214 Y C 2.408 178.225 175.900 -0.140 0.000 1.152 214 Y CA 1.719 59.700 58.100 -0.199 0.000 1.136 214 Y CB -0.993 37.366 38.460 -0.169 0.000 0.975 214 Y HN -0.236 nan 8.280 nan 0.000 0.498 215 I N -0.448 120.137 120.570 0.025 0.000 2.252 215 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 215 I C 2.282 178.324 176.117 -0.124 0.000 1.102 215 I CA 1.161 62.440 61.300 -0.035 0.000 1.385 215 I CB -0.400 37.644 38.000 0.072 0.000 1.064 215 I HN 0.266 nan 8.210 nan 0.000 0.414 216 L N 0.075 121.179 121.223 -0.200 0.000 2.046 216 L HA -0.229 4.111 4.340 -0.001 0.000 0.208 216 L C 2.683 179.531 176.870 -0.037 0.000 1.077 216 L CA 1.216 55.871 54.840 -0.308 0.000 0.747 216 L CB -0.733 40.952 42.059 -0.624 0.000 0.896 216 L HN 0.344 nan 8.230 nan 0.000 0.432 217 Q N 1.123 120.872 119.800 -0.084 0.000 2.226 217 Q HA -0.195 4.145 4.340 -0.001 0.000 0.204 217 Q C 1.651 177.611 176.000 -0.067 0.000 0.975 217 Q CA 1.484 57.259 55.803 -0.047 0.000 0.866 217 Q CB 0.118 28.800 28.738 -0.094 0.000 0.915 217 Q HN 0.470 nan 8.270 nan 0.000 0.440 218 K N -0.504 119.815 120.400 -0.135 0.000 2.458 218 K HA 0.116 4.436 4.320 -0.001 0.000 0.194 218 K C 0.594 177.156 176.600 -0.064 0.000 1.024 218 K CA 0.091 56.292 56.287 -0.144 0.000 1.108 218 K CB 0.538 32.877 32.500 -0.268 0.000 0.846 218 K HN -0.078 nan 8.250 nan 0.000 0.518 219 S N -0.233 115.484 115.700 0.028 0.000 2.741 219 S HA 0.205 4.674 4.470 -0.001 0.000 0.247 219 S C 0.752 175.452 174.600 0.167 0.000 1.050 219 S CA 0.096 58.360 58.200 0.106 0.000 1.025 219 S CB 1.302 64.607 63.200 0.175 0.000 0.897 219 S HN 0.523 nan 8.310 nan 0.000 0.508 220 G N 1.218 110.068 108.800 0.084 0.000 2.176 220 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.253 220 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.253 220 G C -0.010 174.870 174.900 -0.034 0.000 0.979 220 G CA -0.363 44.733 45.100 -0.006 0.000 0.641 220 G HN 0.441 nan 8.290 nan 0.000 0.530 221 F N 0.395 120.305 119.950 -0.067 0.000 2.450 221 F HA 0.575 5.101 4.527 -0.001 0.000 0.339 221 F C 1.592 177.334 175.800 -0.097 0.000 1.146 221 F CA 0.023 57.979 58.000 -0.074 0.000 1.267 221 F CB 0.892 39.852 39.000 -0.067 0.000 1.178 221 F HN -0.188 nan 8.300 nan 0.000 0.585 222 K N 0.811 121.228 120.400 0.028 0.000 2.425 222 K HA 0.249 4.568 4.320 -0.001 0.000 0.201 222 K C -0.564 175.977 176.600 -0.098 0.000 1.128 222 K CA 0.087 56.334 56.287 -0.068 0.000 1.000 222 K CB 0.203 32.614 32.500 -0.149 0.000 0.961 222 K HN 0.608 nan 8.250 nan 0.000 0.555 223 N N 0.260 118.883 118.700 -0.127 0.000 2.591 223 N HA 0.464 5.203 4.740 -0.001 0.000 0.263 223 N C -1.166 174.194 175.510 -0.250 0.000 1.308 223 N CA -0.663 52.153 53.050 -0.390 0.000 0.837 223 N CB 2.238 39.919 38.487 -1.343 0.000 1.548 223 N HN -0.096 nan 8.380 nan 0.000 0.493 224 M N -0.233 119.233 119.600 -0.223 0.000 2.569 224 M HA 0.630 5.110 4.480 -0.001 0.000 0.279 224 M C -2.075 174.292 176.300 0.112 0.000 1.253 224 M CA -0.940 54.356 55.300 -0.007 0.000 0.867 224 M CB 2.464 35.051 32.600 -0.022 0.000 1.727 224 M HN 0.503 nan 8.290 nan 0.000 0.467 225 L N 3.694 125.003 121.223 0.143 0.000 2.386 225 L HA 0.879 5.218 4.340 -0.001 0.000 0.271 225 L C -1.468 175.289 176.870 -0.188 0.000 0.993 225 L CA -0.757 54.128 54.840 0.074 0.000 0.819 225 L CB 2.024 44.179 42.059 0.161 0.000 1.294 225 L HN 0.947 nan 8.230 nan 0.000 0.414 226 I N 0.909 121.276 120.570 -0.338 0.000 3.042 226 I HA 0.612 4.782 4.170 -0.001 0.000 0.310 226 I C -0.739 175.084 176.117 -0.489 0.000 1.117 226 I CA -0.564 60.348 61.300 -0.646 0.000 1.003 226 I CB 2.251 39.576 38.000 -1.125 0.000 1.228 226 I HN 0.736 nan 8.210 nan 0.000 0.443 227 Q N 2.334 121.908 119.800 -0.377 0.000 2.570 227 Q HA 0.338 4.678 4.340 -0.001 0.000 0.222 227 Q C 0.022 175.912 176.000 -0.183 0.000 0.769 227 Q CA 0.484 56.137 55.803 -0.249 0.000 0.934 227 Q CB 0.568 29.152 28.738 -0.255 0.000 1.309 227 Q HN 0.659 nan 8.270 nan 0.000 0.565 228 R N 2.038 122.425 120.500 -0.188 0.000 2.429 228 R HA 0.330 4.670 4.340 -0.001 0.000 0.302 228 R C -0.644 175.411 176.300 -0.409 0.000 1.268 228 R CA 0.602 56.370 56.100 -0.553 0.000 1.090 228 R CB 0.116 29.706 30.300 -1.184 0.000 1.102 228 R HN 0.402 nan 8.270 nan 0.000 0.522 229 T N -2.201 112.340 114.554 -0.023 0.000 2.916 229 T HA 0.130 4.480 4.350 -0.001 0.000 0.292 229 T C -0.032 174.937 174.700 0.448 0.000 1.055 229 T CA -0.911 61.304 62.100 0.191 0.000 1.009 229 T CB 1.744 70.560 68.868 -0.086 0.000 1.118 229 T HN 0.447 nan 8.240 nan 0.000 0.497 230 H N 2.003 121.294 119.070 0.369 0.000 3.064 230 H HA -0.044 4.511 4.556 -0.001 0.000 0.329 230 H C 1.077 176.456 175.328 0.085 0.000 1.020 230 H CA 0.537 56.687 56.048 0.170 0.000 1.402 230 H CB 0.344 30.230 29.762 0.206 0.000 1.379 230 H HN 0.930 nan 8.280 nan 0.000 0.594 231 Y N 2.340 122.739 120.300 0.164 0.000 2.256 231 Y HA -0.179 4.371 4.550 -0.001 0.000 0.288 231 Y C 2.162 178.231 175.900 0.281 0.000 1.155 231 Y CA 1.016 59.246 58.100 0.216 0.000 1.203 231 Y CB -0.635 37.886 38.460 0.102 0.000 0.980 231 Y HN 0.290 nan 8.280 nan 0.000 0.530 232 S N 0.248 115.990 115.700 0.069 0.000 2.406 232 S HA -0.102 4.367 4.470 -0.001 0.000 0.228 232 S C 2.085 176.606 174.600 -0.132 0.000 1.020 232 S CA 1.074 59.206 58.200 -0.114 0.000 0.965 232 S CB -0.513 62.397 63.200 -0.484 0.000 0.798 232 S HN 0.368 nan 8.310 nan 0.000 0.488 233 V N 2.015 121.906 119.914 -0.037 0.000 2.307 233 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 233 V C 2.239 178.370 176.094 0.061 0.000 1.045 233 V CA 1.613 63.924 62.300 0.018 0.000 1.024 233 V CB -0.512 31.425 31.823 0.190 0.000 0.651 233 V HN 0.404 nan 8.190 nan 0.000 0.449 234 K N 0.092 120.571 120.400 0.131 0.000 2.074 234 K HA -0.266 4.053 4.320 -0.001 0.000 0.209 234 K C 2.272 179.006 176.600 0.224 0.000 1.048 234 K CA 1.921 58.303 56.287 0.159 0.000 0.926 234 K CB -0.250 32.401 32.500 0.252 0.000 0.713 234 K HN 0.356 nan 8.250 nan 0.000 0.444 235 K N 1.110 121.643 120.400 0.221 0.000 2.026 235 K HA -0.231 4.089 4.320 -0.001 0.000 0.208 235 K C 2.131 178.828 176.600 0.161 0.000 1.048 235 K CA 1.729 58.157 56.287 0.235 0.000 0.929 235 K CB 0.045 32.612 32.500 0.113 0.000 0.713 235 K HN -0.012 nan 8.250 nan 0.000 0.439 236 E N 0.867 121.082 120.200 0.024 0.000 2.051 236 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 236 E C 1.937 178.531 176.600 -0.010 0.000 0.991 236 E CA 1.422 57.794 56.400 -0.045 0.000 0.799 236 E CB -0.181 29.443 29.700 -0.127 0.000 0.748 236 E HN 0.338 nan 8.360 nan 0.000 0.449 237 L N -0.172 121.055 121.223 0.006 0.000 2.093 237 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 237 L C 2.524 179.414 176.870 0.034 0.000 1.085 237 L CA 0.941 55.778 54.840 -0.004 0.000 0.755 237 L CB -0.604 41.437 42.059 -0.030 0.000 0.904 237 L HN 0.216 nan 8.230 nan 0.000 0.435 238 A N -0.238 122.656 122.820 0.122 0.000 1.902 238 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 238 A C 2.217 179.983 177.584 0.303 0.000 1.181 238 A CA 1.497 53.661 52.037 0.212 0.000 0.623 238 A CB -0.470 18.811 19.000 0.469 0.000 0.818 238 A HN 0.461 nan 8.150 nan 0.000 0.443 239 Q N -0.930 119.004 119.800 0.224 0.000 2.181 239 Q HA -0.158 4.181 4.340 -0.001 0.000 0.205 239 Q C 1.344 177.334 176.000 -0.016 0.000 0.980 239 Q CA 1.289 57.070 55.803 -0.037 0.000 0.862 239 Q CB -0.040 28.539 28.738 -0.266 0.000 0.905 239 Q HN 0.611 nan 8.270 nan 0.000 0.429 240 Q N -0.206 119.596 119.800 0.003 0.000 2.247 240 Q HA 0.137 4.477 4.340 -0.001 0.000 0.204 240 Q C -0.397 175.618 176.000 0.025 0.000 0.872 240 Q CA -0.018 55.784 55.803 -0.002 0.000 0.951 240 Q CB 0.644 29.371 28.738 -0.019 0.000 1.099 240 Q HN 0.279 nan 8.270 nan 0.000 0.501 241 R N 0.815 121.336 120.500 0.035 0.000 3.333 241 R HA -0.210 4.130 4.340 -0.001 0.000 0.256 241 R C -0.138 176.193 176.300 0.052 0.000 1.010 241 R CA 0.471 56.584 56.100 0.021 0.000 0.680 241 R CB -1.910 28.428 30.300 0.063 0.000 1.102 241 R HN 0.389 nan 8.270 nan 0.000 0.440 242 Q N 0.049 119.868 119.800 0.032 0.000 2.186 242 Q HA 0.201 4.540 4.340 -0.001 0.000 0.241 242 Q C 1.204 177.281 176.000 0.127 0.000 0.849 242 Q CA -0.232 55.624 55.803 0.088 0.000 1.053 242 Q CB 0.547 29.301 28.738 0.026 0.000 1.146 242 Q HN 0.436 nan 8.270 nan 0.000 0.475 243 L N 0.028 121.259 121.223 0.013 0.000 2.418 243 L HA 0.057 4.396 4.340 -0.001 0.000 0.218 243 L C 0.325 177.178 176.870 -0.028 0.000 1.125 243 L CA 0.914 55.731 54.840 -0.038 0.000 0.835 243 L CB 0.342 42.190 42.059 -0.352 0.000 0.953 243 L HN 0.186 nan 8.230 nan 0.000 0.454 244 E N 0.164 120.389 120.200 0.041 0.000 2.158 244 E HA 0.516 4.865 4.350 -0.001 0.000 0.271 244 E C -1.224 175.285 176.600 -0.151 0.000 0.911 244 E CA -0.537 55.688 56.400 -0.293 0.000 0.767 244 E CB 1.529 31.182 29.700 -0.078 0.000 1.120 244 E HN 0.000 nan 8.360 nan 0.000 0.405 245 F N -0.208 119.479 119.950 -0.437 0.000 2.686 245 F HA 0.475 5.001 4.527 -0.001 0.000 0.311 245 F C -1.575 174.112 175.800 -0.187 0.000 1.128 245 F CA -1.385 56.506 58.000 -0.182 0.000 0.946 245 F CB 0.776 39.703 39.000 -0.121 0.000 1.336 245 F HN 0.157 nan 8.300 nan 0.000 0.457 246 L N 2.634 124.015 121.223 0.263 0.000 2.282 246 L HA 0.184 4.524 4.340 -0.001 0.000 0.287 246 L C -1.099 176.002 176.870 0.385 0.000 1.075 246 L CA -0.245 54.747 54.840 0.252 0.000 0.839 246 L CB 0.500 42.711 42.059 0.253 0.000 1.219 246 L HN 0.585 nan 8.230 nan 0.000 0.434 247 W N 6.773 128.184 121.300 0.185 0.000 2.387 247 W HA 0.332 4.991 4.660 -0.001 0.000 0.310 247 W C 0.247 176.796 176.519 0.049 0.000 1.181 247 W CA -1.247 56.222 57.345 0.208 0.000 1.333 247 W CB 0.446 30.073 29.460 0.277 0.000 1.286 247 W HN 0.507 nan 8.180 nan 0.000 0.455 248 R N 3.796 124.473 120.500 0.295 0.000 2.828 248 R HA 0.543 4.883 4.340 -0.001 0.000 0.264 248 R C -0.107 176.100 176.300 -0.155 0.000 1.022 248 R CA -0.924 55.177 56.100 0.000 0.000 1.021 248 R CB 1.123 31.406 30.300 -0.028 0.000 1.163 248 R HN 0.232 nan 8.270 nan 0.000 0.494 249 Q N 1.371 120.925 119.800 -0.410 0.000 2.421 249 Q HA 0.061 4.401 4.340 -0.001 0.000 0.255 249 Q C 1.452 177.054 176.000 -0.662 0.000 1.013 249 Q CA 0.099 55.452 55.803 -0.750 0.000 0.895 249 Q CB 0.783 28.606 28.738 -1.525 0.000 1.271 249 Q HN 0.847 nan 8.270 nan 0.000 0.460 250 I N -2.143 118.143 120.570 -0.472 0.000 2.567 250 I HA -0.141 4.029 4.170 -0.001 0.000 0.257 250 I C 1.260 177.321 176.117 -0.094 0.000 1.184 250 I CA 1.224 62.414 61.300 -0.183 0.000 1.451 250 I CB -0.349 37.645 38.000 -0.011 0.000 1.089 250 I HN 0.670 nan 8.210 nan 0.000 0.441 251 W N 1.302 122.664 121.300 0.102 0.000 3.220 251 W HA 0.377 5.037 4.660 -0.001 0.000 0.328 251 W C 0.169 176.765 176.519 0.129 0.000 1.205 251 W CA -0.747 56.717 57.345 0.199 0.000 1.773 251 W CB -0.666 28.999 29.460 0.342 0.000 1.086 251 W HN -0.072 nan 8.180 nan 0.000 0.622 252 D N 1.926 122.061 120.400 -0.442 0.000 2.422 252 D HA -0.024 4.616 4.640 -0.001 0.000 0.227 252 D C 1.062 177.335 176.300 -0.045 0.000 1.190 252 D CA 0.174 54.053 54.000 -0.202 0.000 0.905 252 D CB 0.298 40.881 40.800 -0.362 0.000 1.034 252 D HN 0.096 nan 8.370 nan 0.000 0.507 253 N N 3.783 122.517 118.700 0.058 0.000 2.188 253 N HA -0.152 4.588 4.740 -0.001 0.000 0.184 253 N C 1.434 176.963 175.510 0.032 0.000 1.018 253 N CA 1.216 54.294 53.050 0.047 0.000 0.858 253 N CB 0.140 38.676 38.487 0.082 0.000 0.989 253 N HN 0.344 nan 8.380 nan 0.000 0.426 254 K N -1.404 119.021 120.400 0.041 0.000 2.186 254 K HA 0.089 4.409 4.320 -0.001 0.000 0.202 254 K C 0.562 177.177 176.600 0.024 0.000 1.052 254 K CA 0.947 57.255 56.287 0.034 0.000 0.965 254 K CB 0.077 32.603 32.500 0.042 0.000 0.746 254 K HN 0.278 nan 8.250 nan 0.000 0.457 255 G N 0.964 109.770 108.800 0.011 0.000 2.148 255 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.203 255 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.203 255 G C 0.122 175.027 174.900 0.008 0.000 0.993 255 G CA 0.323 45.428 45.100 0.008 0.000 0.661 255 G HN 0.351 nan 8.290 nan 0.000 0.518 256 D N 0.646 121.052 120.400 0.010 0.000 2.310 256 D HA -0.027 4.612 4.640 -0.001 0.000 0.212 256 D C 2.583 178.876 176.300 -0.012 0.000 0.965 256 D CA 1.792 55.797 54.000 0.007 0.000 0.879 256 D CB -0.224 40.588 40.800 0.019 0.000 0.921 256 D HN 0.676 nan 8.370 nan 0.000 0.510 257 T N -2.156 112.381 114.554 -0.028 0.000 3.100 257 T HA 0.328 4.678 4.350 -0.001 0.000 0.253 257 T C 0.969 175.635 174.700 -0.056 0.000 1.118 257 T CA -0.074 61.991 62.100 -0.059 0.000 1.058 257 T CB -0.004 68.815 68.868 -0.082 0.000 0.953 257 T HN 0.068 nan 8.240 nan 0.000 0.515 258 A N 1.454 124.265 122.820 -0.015 0.000 2.540 258 A HA 0.541 4.860 4.320 -0.001 0.000 0.239 258 A C -0.263 177.346 177.584 0.041 0.000 1.061 258 A CA -0.294 51.764 52.037 0.036 0.000 0.758 258 A CB -0.149 18.896 19.000 0.077 0.000 0.991 258 A HN 0.552 nan 8.150 nan 0.000 0.502 259 L N 2.791 124.059 121.223 0.075 0.000 2.409 259 L HA 0.572 4.912 4.340 -0.001 0.000 0.272 259 L C -0.650 176.285 176.870 0.108 0.000 0.980 259 L CA -0.566 54.313 54.840 0.066 0.000 0.826 259 L CB 1.472 43.533 42.059 0.004 0.000 1.268 259 L HN 0.662 nan 8.230 nan 0.000 0.407 260 F N 3.782 123.701 119.950 -0.052 0.000 2.578 260 F HA 0.417 4.944 4.527 -0.001 0.000 0.376 260 F C 0.020 175.711 175.800 -0.181 0.000 1.085 260 F CA 0.771 58.709 58.000 -0.104 0.000 1.260 260 F CB 0.494 39.452 39.000 -0.070 0.000 1.095 260 F HN 0.562 nan 8.300 nan 0.000 0.573 261 T N 5.261 119.248 114.554 -0.945 0.000 2.886 261 T HA 0.206 4.556 4.350 -0.001 0.000 0.292 261 T C -1.658 172.421 174.700 -1.034 0.000 1.012 261 T CA -0.486 61.137 62.100 -0.794 0.000 0.982 261 T CB 0.930 69.324 68.868 -0.789 0.000 1.018 261 T HN 0.619 nan 8.240 nan 0.000 0.451 262 H N 2.773 121.544 119.070 -0.498 0.000 2.551 262 H HA 0.631 5.187 4.556 -0.001 0.000 0.321 262 H C -0.429 174.711 175.328 -0.313 0.000 1.028 262 H CA -0.755 55.110 56.048 -0.305 0.000 1.215 262 H CB 0.775 30.576 29.762 0.064 0.000 1.414 262 H HN 0.483 nan 8.280 nan 0.000 0.480 263 M N 6.933 126.204 119.600 -0.547 0.000 2.157 263 M HA 0.296 4.775 4.480 -0.001 0.000 0.354 263 M C -0.865 175.193 176.300 -0.404 0.000 1.170 263 M CA -0.643 54.413 55.300 -0.407 0.000 1.060 263 M CB 0.718 33.131 32.600 -0.312 0.000 1.615 263 M HN 0.659 nan 8.290 nan 0.000 0.460 264 M N 6.596 126.055 119.600 -0.235 0.000 2.245 264 M HA 0.173 4.653 4.480 -0.001 0.000 0.330 264 M C -1.627 174.542 176.300 -0.218 0.000 1.098 264 M CA -1.060 54.145 55.300 -0.157 0.000 1.172 264 M CB 0.236 32.755 32.600 -0.134 0.000 1.467 264 M HN 0.488 nan 8.290 nan 0.000 0.454 265 P HA 0.122 nan 4.420 nan 0.000 0.245 265 P C -0.246 176.868 177.300 -0.310 0.000 1.199 265 P CA 0.858 63.652 63.100 -0.511 0.000 0.807 265 P CB 0.361 31.448 31.700 -1.020 0.000 1.002 266 F N -2.252 117.697 119.950 -0.002 0.000 2.611 266 F HA 0.300 4.827 4.527 -0.001 0.000 0.374 266 F C 2.130 178.013 175.800 0.138 0.000 1.110 266 F CA -1.307 56.731 58.000 0.063 0.000 1.090 266 F CB 0.230 39.207 39.000 -0.039 0.000 1.388 266 F HN -0.318 nan 8.300 nan 0.000 0.501 267 Y N 0.426 120.871 120.300 0.242 0.000 2.352 267 Y HA 0.054 4.604 4.550 -0.001 0.000 0.292 267 Y C 0.804 176.622 175.900 -0.136 0.000 1.136 267 Y CA 1.142 59.245 58.100 0.004 0.000 1.227 267 Y CB 0.040 38.408 38.460 -0.153 0.000 0.991 267 Y HN 0.335 nan 8.280 nan 0.000 0.545 268 S N -1.873 113.680 115.700 -0.246 0.000 2.638 268 S HA 0.254 4.723 4.470 -0.001 0.000 0.274 268 S C -0.365 174.159 174.600 -0.127 0.000 1.157 268 S CA -0.364 57.595 58.200 -0.403 0.000 0.826 268 S CB 0.271 63.166 63.200 -0.509 0.000 1.139 268 S HN 0.283 nan 8.310 nan 0.000 0.474 269 Y N 0.752 121.012 120.300 -0.068 0.000 2.466 269 Y HA 0.311 4.860 4.550 -0.001 0.000 0.272 269 Y C 0.492 176.478 175.900 0.143 0.000 1.169 269 Y CA -0.495 57.595 58.100 -0.016 0.000 1.285 269 Y CB -0.979 37.383 38.460 -0.162 0.000 1.078 269 Y HN 0.548 nan 8.280 nan 0.000 0.523 270 D N 0.839 121.237 120.400 -0.004 0.000 2.363 270 D HA -0.054 4.586 4.640 -0.001 0.000 0.240 270 D C 1.231 177.658 176.300 0.211 0.000 1.236 270 D CA -0.317 53.777 54.000 0.157 0.000 0.927 270 D CB 0.827 41.682 40.800 0.092 0.000 1.150 270 D HN 0.265 nan 8.370 nan 0.000 0.458 271 I N -0.157 120.515 120.570 0.170 0.000 2.226 271 I HA -0.151 4.019 4.170 -0.001 0.000 0.245 271 I C -0.751 175.402 176.117 0.060 0.000 1.100 271 I CA 0.832 62.217 61.300 0.141 0.000 1.374 271 I CB -1.107 36.963 38.000 0.117 0.000 1.057 271 I HN 0.347 nan 8.210 nan 0.000 0.413 272 P HA -0.145 nan 4.420 nan 0.000 0.222 272 P C 0.516 177.505 177.300 -0.518 0.000 1.147 272 P CA 1.559 64.477 63.100 -0.302 0.000 0.790 272 P CB -0.082 31.429 31.700 -0.314 0.000 0.780 273 H N -3.021 116.040 119.070 -0.016 0.000 2.486 273 H HA 0.228 4.784 4.556 -0.001 0.000 0.284 273 H C 0.874 176.291 175.328 0.148 0.000 1.103 273 H CA 0.514 56.562 56.048 -0.000 0.000 1.089 273 H CB -0.269 29.557 29.762 0.108 0.000 1.603 273 H HN 0.088 nan 8.280 nan 0.000 0.557 274 T N -4.244 110.420 114.554 0.183 0.000 3.016 274 T HA -0.017 4.332 4.350 -0.001 0.000 0.271 274 T C 1.763 176.582 174.700 0.198 0.000 0.968 274 T CA 0.365 62.603 62.100 0.229 0.000 0.891 274 T CB -0.684 68.312 68.868 0.214 0.000 1.149 274 T HN 0.508 nan 8.240 nan 0.000 0.524 275 c N 1.472 120.160 118.600 0.146 0.000 2.533 275 c HA 0.723 5.292 4.570 -0.001 0.000 0.272 275 c C 1.311 175.520 174.090 0.198 0.000 1.371 275 c CA 0.421 56.877 56.329 0.212 0.000 1.758 275 c CB -1.076 41.515 42.510 0.136 0.000 1.972 275 c HN 0.864 nan 8.230 nan 0.000 0.522 276 G N -0.209 108.633 108.800 0.070 0.000 2.317 276 G HA2 0.386 4.346 3.960 -0.001 0.000 0.293 276 G HA3 0.386 4.346 3.960 -0.001 0.000 0.293 276 G C -2.670 171.882 174.900 -0.579 0.000 1.287 276 G CA 0.250 45.334 45.100 -0.026 0.000 0.850 276 G HN -0.107 nan 8.290 nan 0.000 0.515 277 P HA 0.076 nan 4.420 nan 0.000 0.226 277 P C -0.142 176.754 177.300 -0.673 0.000 1.153 277 P CA 1.091 63.550 63.100 -1.067 0.000 0.777 277 P CB 0.380 31.755 31.700 -0.542 0.000 0.794 278 D N 0.813 120.926 120.400 -0.479 0.000 2.460 278 D HA 0.146 4.785 4.640 -0.001 0.000 0.232 278 D C -1.480 174.482 176.300 -0.564 0.000 1.079 278 D CA -2.651 51.105 54.000 -0.407 0.000 0.864 278 D CB 1.380 42.025 40.800 -0.258 0.000 1.048 278 D HN -0.012 nan 8.370 nan 0.000 0.523 279 P HA -0.152 nan 4.420 nan 0.000 0.220 279 P C 1.239 177.729 177.300 -1.349 0.000 1.148 279 P CA 0.725 63.069 63.100 -1.260 0.000 0.803 279 P CB 0.520 31.175 31.700 -1.741 0.000 0.782 280 K N 0.238 119.989 120.400 -1.083 0.000 2.147 280 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 280 K C 1.811 178.230 176.600 -0.301 0.000 1.049 280 K CA 1.106 57.063 56.287 -0.551 0.000 0.936 280 K CB -0.208 32.156 32.500 -0.227 0.000 0.722 280 K HN -0.057 nan 8.250 nan 0.000 0.446 281 V N 0.289 120.033 119.914 -0.284 0.000 2.379 281 V HA -0.225 3.894 4.120 -0.001 0.000 0.243 281 V C 2.383 178.450 176.094 -0.044 0.000 1.035 281 V CA 1.321 63.548 62.300 -0.122 0.000 1.035 281 V CB -0.266 31.501 31.823 -0.093 0.000 0.673 281 V HN 0.470 nan 8.190 nan 0.000 0.457 282 c N -0.705 117.793 118.600 -0.170 0.000 2.422 282 c HA -0.197 4.373 4.570 -0.001 0.000 0.279 282 c C 2.978 177.033 174.090 -0.060 0.000 1.305 282 c CA 0.782 57.072 56.329 -0.066 0.000 1.757 282 c CB -1.482 40.911 42.510 -0.195 0.000 1.962 282 c HN 0.756 nan 8.230 nan 0.000 0.499 283 c N 0.868 119.343 118.600 -0.208 0.000 2.410 283 c HA -0.152 4.417 4.570 -0.001 0.000 0.281 283 c C 2.608 176.587 174.090 -0.185 0.000 1.318 283 c CA 1.255 57.512 56.329 -0.119 0.000 1.776 283 c CB -1.485 41.031 42.510 0.009 0.000 1.942 283 c HN 0.642 nan 8.230 nan 0.000 0.508 284 Q N -1.372 118.265 119.800 -0.272 0.000 2.488 284 Q HA -0.014 4.326 4.340 -0.001 0.000 0.211 284 Q C 0.722 176.074 176.000 -1.080 0.000 0.967 284 Q CA 1.006 56.463 55.803 -0.576 0.000 0.926 284 Q CB -0.023 28.357 28.738 -0.596 0.000 0.992 284 Q HN 0.750 nan 8.270 nan 0.000 0.506 285 F N -0.250 119.416 119.950 -0.474 0.000 2.668 285 F HA 0.161 4.687 4.527 -0.001 0.000 0.301 285 F C 0.254 175.769 175.800 -0.474 0.000 1.106 285 F CA -0.545 57.085 58.000 -0.616 0.000 1.289 285 F CB 0.749 39.634 39.000 -0.193 0.000 1.006 285 F HN -0.142 nan 8.300 nan 0.000 0.535 286 D N 0.069 120.236 120.400 -0.388 0.000 2.467 286 D HA 0.132 4.772 4.640 -0.001 0.000 0.220 286 D C 0.510 176.611 176.300 -0.332 0.000 1.103 286 D CA -0.343 53.547 54.000 -0.184 0.000 0.886 286 D CB 0.111 40.859 40.800 -0.086 0.000 1.025 286 D HN 0.103 nan 8.370 nan 0.000 0.514 287 F N 1.776 121.727 119.950 0.002 0.000 2.771 287 F HA 0.083 4.609 4.527 -0.001 0.000 0.299 287 F C 2.353 178.095 175.800 -0.096 0.000 1.177 287 F CA 0.297 58.271 58.000 -0.042 0.000 1.450 287 F CB 0.129 39.127 39.000 -0.004 0.000 1.114 287 F HN 0.263 nan 8.300 nan 0.000 0.587 288 K N 0.801 121.125 120.400 -0.127 0.000 2.459 288 K HA 0.036 4.356 4.320 -0.001 0.000 0.193 288 K C 1.001 177.534 176.600 -0.112 0.000 1.030 288 K CA 0.268 56.326 56.287 -0.381 0.000 1.026 288 K CB 0.119 32.261 32.500 -0.597 0.000 0.809 288 K HN 0.199 nan 8.250 nan 0.000 0.504 289 R N 0.204 120.676 120.500 -0.047 0.000 2.721 289 R HA 0.184 4.523 4.340 -0.001 0.000 0.296 289 R C 0.865 177.189 176.300 0.040 0.000 1.174 289 R CA -0.159 55.944 56.100 0.005 0.000 1.129 289 R CB 0.161 30.443 30.300 -0.029 0.000 1.316 289 R HN 0.184 nan 8.270 nan 0.000 0.571 290 M N -1.120 118.545 119.600 0.109 0.000 2.502 290 M HA 0.161 4.640 4.480 -0.001 0.000 0.243 290 M C 1.190 177.531 176.300 0.069 0.000 1.130 290 M CA 0.769 56.116 55.300 0.079 0.000 1.055 290 M CB 0.915 33.571 32.600 0.094 0.000 1.457 290 M HN 0.525 nan 8.290 nan 0.000 0.488 291 G N -0.227 108.630 108.800 0.096 0.000 3.465 291 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.196 291 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.196 291 G C 0.993 175.899 174.900 0.011 0.000 1.170 291 G CA 0.230 45.357 45.100 0.045 0.000 0.887 291 G HN 0.387 nan 8.290 nan 0.000 0.444 292 S N 0.339 116.008 115.700 -0.051 0.000 2.442 292 S HA 0.166 4.636 4.470 -0.001 0.000 0.236 292 S C 1.805 176.234 174.600 -0.284 0.000 1.007 292 S CA 1.579 59.657 58.200 -0.202 0.000 0.965 292 S CB -0.453 62.552 63.200 -0.326 0.000 0.773 292 S HN 0.378 nan 8.310 nan 0.000 0.504 293 F N 1.814 121.758 119.950 -0.010 0.000 2.765 293 F HA 0.401 4.928 4.527 -0.001 0.000 0.302 293 F C 1.902 177.695 175.800 -0.011 0.000 1.111 293 F CA 0.113 58.105 58.000 -0.013 0.000 1.359 293 F CB -0.090 38.899 39.000 -0.017 0.000 1.097 293 F HN 0.380 nan 8.300 nan 0.000 0.577 294 G N 1.274 110.145 108.800 0.120 0.000 2.147 294 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.244 294 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.244 294 G C -0.175 174.771 174.900 0.077 0.000 1.005 294 G CA 0.035 45.179 45.100 0.073 0.000 0.713 294 G HN 0.303 nan 8.290 nan 0.000 0.515 295 L N -0.023 121.259 121.223 0.097 0.000 2.333 295 L HA 0.879 5.218 4.340 -0.001 0.000 0.263 295 L C 0.464 177.363 176.870 0.047 0.000 1.014 295 L CA -0.408 54.471 54.840 0.065 0.000 0.820 295 L CB 2.389 44.483 42.059 0.058 0.000 1.352 295 L HN 0.474 nan 8.230 nan 0.000 0.421 296 S N -0.831 114.885 115.700 0.026 0.000 2.688 296 S HA 0.535 5.004 4.470 -0.001 0.000 0.275 296 S C -1.283 173.327 174.600 0.018 0.000 1.175 296 S CA -0.804 57.404 58.200 0.014 0.000 0.818 296 S CB 1.602 64.802 63.200 -0.001 0.000 1.157 296 S HN 0.524 nan 8.310 nan 0.000 0.482 297 c N 3.056 121.672 118.600 0.026 0.000 2.265 297 c HA 0.558 5.128 4.570 -0.001 0.000 0.332 297 c C -1.033 173.049 174.090 -0.013 0.000 1.248 297 c CA -1.177 55.209 56.329 0.095 0.000 1.727 297 c CB 0.831 43.431 42.510 0.149 0.000 2.348 297 c HN 0.761 nan 8.230 nan 0.000 0.519 298 P HA -0.075 nan 4.420 nan 0.000 0.230 298 P C 1.078 178.087 177.300 -0.486 0.000 1.158 298 P CA 1.191 64.017 63.100 -0.457 0.000 0.769 298 P CB 0.088 31.370 31.700 -0.696 0.000 0.807 299 W N 0.690 121.966 121.300 -0.040 0.000 3.180 299 W HA 0.170 4.830 4.660 -0.001 0.000 0.254 299 W C 0.706 177.197 176.519 -0.047 0.000 1.318 299 W CA 0.139 57.456 57.345 -0.046 0.000 1.608 299 W CB -0.423 29.000 29.460 -0.061 0.000 1.124 299 W HN 0.143 nan 8.180 nan 0.000 0.694 300 K N -1.098 119.352 120.400 0.084 0.000 3.512 300 K HA -0.177 4.143 4.320 -0.001 0.000 0.309 300 K C -0.354 176.267 176.600 0.035 0.000 1.350 300 K CA 0.530 56.838 56.287 0.036 0.000 0.960 300 K CB -1.997 30.512 32.500 0.014 0.000 1.290 300 K HN -0.113 nan 8.250 nan 0.000 0.454 301 V N 2.017 121.963 119.914 0.053 0.000 2.378 301 V HA 0.324 4.444 4.120 -0.001 0.000 0.288 301 V C -1.786 174.292 176.094 -0.026 0.000 1.016 301 V CA -1.513 60.789 62.300 0.003 0.000 0.840 301 V CB 1.424 33.242 31.823 -0.008 0.000 0.994 301 V HN -0.024 nan 8.190 nan 0.000 0.431 302 P HA 0.437 nan 4.420 nan 0.000 0.278 302 P C -2.873 174.336 177.300 -0.152 0.000 1.258 302 P CA -2.097 60.958 63.100 -0.075 0.000 0.811 302 P CB 0.700 32.372 31.700 -0.047 0.000 1.063 303 P HA 0.302 nan 4.420 nan 0.000 0.274 303 P C -0.335 176.860 177.300 -0.174 0.000 1.231 303 P CA 0.012 62.901 63.100 -0.351 0.000 0.790 303 P CB 0.658 32.076 31.700 -0.469 0.000 0.951 304 R N 0.351 120.761 120.500 -0.149 0.000 2.621 304 R HA 0.410 4.750 4.340 -0.001 0.000 0.292 304 R C -0.322 176.037 176.300 0.099 0.000 0.969 304 R CA -0.664 55.420 56.100 -0.026 0.000 0.887 304 R CB 1.359 31.621 30.300 -0.063 0.000 1.180 304 R HN 0.362 nan 8.270 nan 0.000 0.450 305 T N 3.921 118.529 114.554 0.089 0.000 2.905 305 T HA 0.025 4.375 4.350 -0.001 0.000 0.299 305 T C 0.776 175.467 174.700 -0.016 0.000 1.024 305 T CA 0.162 62.288 62.100 0.044 0.000 1.151 305 T CB 0.142 69.014 68.868 0.008 0.000 0.987 305 T HN 0.196 nan 8.240 nan 0.000 0.535 306 I N 3.930 124.440 120.570 -0.100 0.000 2.496 306 I HA 0.255 4.425 4.170 -0.001 0.000 0.285 306 I C 0.992 177.058 176.117 -0.086 0.000 1.080 306 I CA 0.074 61.315 61.300 -0.099 0.000 1.404 306 I CB 0.316 38.213 38.000 -0.171 0.000 1.403 306 I HN 0.780 nan 8.210 nan 0.000 0.539 307 S N 3.948 119.610 115.700 -0.064 0.000 2.697 307 S HA 0.444 4.913 4.470 -0.001 0.000 0.289 307 S C 0.302 174.868 174.600 -0.056 0.000 1.149 307 S CA -0.778 57.391 58.200 -0.051 0.000 0.850 307 S CB 2.191 65.369 63.200 -0.037 0.000 1.151 307 S HN 0.518 nan 8.310 nan 0.000 0.491 308 D N 0.573 120.949 120.400 -0.040 0.000 2.264 308 D HA -0.036 4.603 4.640 -0.001 0.000 0.208 308 D C 1.358 177.629 176.300 -0.049 0.000 0.966 308 D CA 1.207 55.182 54.000 -0.041 0.000 0.864 308 D CB -0.165 40.627 40.800 -0.015 0.000 0.933 308 D HN 0.516 nan 8.370 nan 0.000 0.499 309 Q N 0.260 120.036 119.800 -0.039 0.000 2.389 309 Q HA -0.013 4.326 4.340 -0.001 0.000 0.204 309 Q C 1.155 177.130 176.000 -0.042 0.000 0.944 309 Q CA 0.659 56.442 55.803 -0.034 0.000 0.908 309 Q CB 0.021 28.745 28.738 -0.023 0.000 1.002 309 Q HN 0.349 nan 8.270 nan 0.000 0.493 310 N N -1.985 116.682 118.700 -0.055 0.000 2.166 310 N HA -0.013 4.726 4.740 -0.001 0.000 0.213 310 N C 1.013 176.476 175.510 -0.078 0.000 1.222 310 N CA 0.107 53.126 53.050 -0.052 0.000 0.900 310 N CB -0.262 38.202 38.487 -0.039 0.000 1.055 310 N HN 0.035 nan 8.380 nan 0.000 0.515 311 V N 0.399 120.232 119.914 -0.134 0.000 2.490 311 V HA -0.032 4.087 4.120 -0.001 0.000 0.250 311 V C 2.167 178.078 176.094 -0.304 0.000 1.061 311 V CA 2.005 64.180 62.300 -0.209 0.000 1.064 311 V CB -0.804 30.861 31.823 -0.263 0.000 0.670 311 V HN 0.445 nan 8.190 nan 0.000 0.461 312 A N -0.265 122.365 122.820 -0.317 0.000 1.897 312 A HA 0.051 4.371 4.320 -0.001 0.000 0.215 312 A C 2.409 180.037 177.584 0.073 0.000 1.181 312 A CA 1.865 53.832 52.037 -0.117 0.000 0.620 312 A CB -0.901 18.104 19.000 0.009 0.000 0.821 312 A HN 0.769 nan 8.150 nan 0.000 0.443 313 A N -0.400 122.438 122.820 0.030 0.000 1.898 313 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 313 A C 2.228 179.854 177.584 0.069 0.000 1.181 313 A CA 1.255 53.326 52.037 0.056 0.000 0.620 313 A CB -0.416 18.598 19.000 0.025 0.000 0.819 313 A HN 0.391 nan 8.150 nan 0.000 0.442 314 R N 0.207 120.742 120.500 0.059 0.000 2.073 314 R HA -0.068 4.272 4.340 -0.001 0.000 0.234 314 R C 2.414 178.764 176.300 0.083 0.000 1.134 314 R CA 1.638 57.829 56.100 0.153 0.000 0.952 314 R CB -1.076 29.313 30.300 0.148 0.000 0.850 314 R HN 0.531 nan 8.270 nan 0.000 0.433 315 S N 1.264 116.968 115.700 0.007 0.000 2.368 315 S HA -0.118 4.351 4.470 -0.001 0.000 0.225 315 S C 1.441 175.931 174.600 -0.184 0.000 1.030 315 S CA 1.180 59.291 58.200 -0.148 0.000 0.999 315 S CB -0.204 63.055 63.200 0.099 0.000 0.844 315 S HN 0.271 nan 8.310 nan 0.000 0.459 316 D N 1.217 121.698 120.400 0.135 0.000 2.144 316 D HA -0.026 4.613 4.640 -0.001 0.000 0.199 316 D C 1.847 178.152 176.300 0.008 0.000 0.984 316 D CA 0.726 54.852 54.000 0.209 0.000 0.834 316 D CB -0.165 40.797 40.800 0.271 0.000 0.955 316 D HN 0.301 nan 8.370 nan 0.000 0.465 317 L N 0.038 121.240 121.223 -0.035 0.000 2.072 317 L HA -0.147 4.193 4.340 -0.001 0.000 0.205 317 L C 2.384 179.071 176.870 -0.306 0.000 1.079 317 L CA 0.430 55.224 54.840 -0.076 0.000 0.752 317 L CB -0.161 41.926 42.059 0.048 0.000 0.906 317 L HN 0.067 nan 8.230 nan 0.000 0.436 318 L N -0.946 119.921 121.223 -0.595 0.000 2.072 318 L HA -0.117 4.222 4.340 -0.001 0.000 0.205 318 L C 2.306 178.473 176.870 -1.172 0.000 1.079 318 L CA 1.547 55.706 54.840 -1.134 0.000 0.752 318 L CB -0.290 40.797 42.059 -1.621 0.000 0.906 318 L HN -0.083 nan 8.230 nan 0.000 0.436 319 V N -0.010 119.327 119.914 -0.962 0.000 2.407 319 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 319 V C 2.292 178.173 176.094 -0.356 0.000 1.055 319 V CA 1.892 63.758 62.300 -0.724 0.000 1.049 319 V CB -0.778 30.562 31.823 -0.804 0.000 0.662 319 V HN 0.596 nan 8.190 nan 0.000 0.455 320 D N -0.721 119.547 120.400 -0.221 0.000 2.117 320 D HA -0.210 4.429 4.640 -0.001 0.000 0.197 320 D C 2.229 178.483 176.300 -0.076 0.000 0.987 320 D CA 1.220 55.205 54.000 -0.025 0.000 0.829 320 D CB -0.013 40.840 40.800 0.090 0.000 0.961 320 D HN 0.290 nan 8.370 nan 0.000 0.460 321 Q N -0.511 119.183 119.800 -0.177 0.000 2.050 321 Q HA -0.138 4.202 4.340 -0.001 0.000 0.202 321 Q C 2.152 178.153 176.000 0.001 0.000 0.980 321 Q CA 0.987 56.716 55.803 -0.124 0.000 0.840 321 Q CB -0.590 28.019 28.738 -0.215 0.000 0.898 321 Q HN 0.556 nan 8.270 nan 0.000 0.424 322 W N 1.469 122.644 121.300 -0.209 0.000 2.358 322 W HA -0.099 4.560 4.660 -0.001 0.000 0.303 322 W C 2.077 178.449 176.519 -0.246 0.000 1.208 322 W CA 0.757 57.975 57.345 -0.211 0.000 1.274 322 W CB -0.650 28.652 29.460 -0.263 0.000 1.138 322 W HN 0.213 nan 8.180 nan 0.000 0.515 323 K N 0.126 120.440 120.400 -0.145 0.000 2.211 323 K HA -0.131 4.188 4.320 -0.001 0.000 0.203 323 K C 1.933 178.361 176.600 -0.287 0.000 1.050 323 K CA 1.159 57.198 56.287 -0.414 0.000 0.945 323 K CB -0.181 31.753 32.500 -0.943 0.000 0.732 323 K HN 0.080 nan 8.250 nan 0.000 0.451 324 K N 0.963 121.286 120.400 -0.129 0.000 2.025 324 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 324 K C 2.083 178.746 176.600 0.106 0.000 1.049 324 K CA 1.118 57.465 56.287 0.099 0.000 0.933 324 K CB 0.006 32.584 32.500 0.131 0.000 0.714 324 K HN -0.000 nan 8.250 nan 0.000 0.438 325 K N 0.835 121.298 120.400 0.106 0.000 2.063 325 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 325 K C 2.003 178.711 176.600 0.180 0.000 1.048 325 K CA 1.335 57.708 56.287 0.143 0.000 0.928 325 K CB -0.101 32.497 32.500 0.164 0.000 0.713 325 K HN 0.147 nan 8.250 nan 0.000 0.442 326 A N 1.078 123.988 122.820 0.150 0.000 2.070 326 A HA -0.127 4.193 4.320 -0.001 0.000 0.220 326 A C 1.675 179.426 177.584 0.278 0.000 1.159 326 A CA 1.246 53.414 52.037 0.219 0.000 0.656 326 A CB -0.280 18.812 19.000 0.152 0.000 0.800 326 A HN 0.298 nan 8.150 nan 0.000 0.453 327 E N -0.003 120.340 120.200 0.238 0.000 2.338 327 E HA -0.069 4.281 4.350 -0.001 0.000 0.197 327 E C 1.549 178.276 176.600 0.212 0.000 1.007 327 E CA 0.603 57.155 56.400 0.253 0.000 0.849 327 E CB -0.202 29.674 29.700 0.293 0.000 0.774 327 E HN 0.721 nan 8.360 nan 0.000 0.506 328 L N -0.527 120.776 121.223 0.133 0.000 2.591 328 L HA 0.048 4.388 4.340 -0.001 0.000 0.228 328 L C 0.229 176.894 176.870 -0.342 0.000 1.133 328 L CA 0.255 55.043 54.840 -0.087 0.000 0.880 328 L CB -0.089 41.797 42.059 -0.289 0.000 1.033 328 L HN -0.004 nan 8.230 nan 0.000 0.450 329 Y N -1.658 118.722 120.300 0.134 0.000 2.633 329 Y HA 0.380 4.929 4.550 -0.001 0.000 0.339 329 Y C 1.130 177.143 175.900 0.187 0.000 1.045 329 Y CA -0.989 57.210 58.100 0.165 0.000 1.098 329 Y CB 1.183 39.750 38.460 0.178 0.000 1.296 329 Y HN -0.287 nan 8.280 nan 0.000 0.494 330 R N -0.587 120.148 120.500 0.392 0.000 2.265 330 R HA 0.088 4.428 4.340 -0.001 0.000 0.194 330 R C 0.371 176.799 176.300 0.213 0.000 0.931 330 R CA 0.787 57.032 56.100 0.242 0.000 1.032 330 R CB 0.248 30.632 30.300 0.139 0.000 0.980 330 R HN 0.753 nan 8.270 nan 0.000 0.497 331 T N -0.736 113.985 114.554 0.278 0.000 2.910 331 T HA 0.103 4.452 4.350 -0.001 0.000 0.279 331 T C 0.641 175.465 174.700 0.207 0.000 0.989 331 T CA -0.920 61.306 62.100 0.209 0.000 0.968 331 T CB 1.165 70.144 68.868 0.184 0.000 1.135 331 T HN 0.082 nan 8.240 nan 0.000 0.562 332 N N -0.016 118.776 118.700 0.153 0.000 2.327 332 N HA 0.141 4.881 4.740 -0.001 0.000 0.231 332 N C -0.747 174.778 175.510 0.025 0.000 1.130 332 N CA -0.374 52.737 53.050 0.101 0.000 0.845 332 N CB -0.100 38.325 38.487 -0.104 0.000 1.073 332 N HN 0.370 nan 8.380 nan 0.000 0.496 333 V N 1.369 121.317 119.914 0.058 0.000 2.409 333 V HA 0.404 4.524 4.120 -0.001 0.000 0.291 333 V C -0.631 175.556 176.094 0.156 0.000 1.020 333 V CA -0.955 61.377 62.300 0.054 0.000 0.848 333 V CB 1.527 33.356 31.823 0.010 0.000 0.990 333 V HN 0.183 nan 8.190 nan 0.000 0.430 334 L N 5.794 127.047 121.223 0.051 0.000 2.341 334 L HA 0.687 5.026 4.340 -0.001 0.000 0.278 334 L C -0.810 175.934 176.870 -0.211 0.000 1.005 334 L CA -0.461 54.328 54.840 -0.085 0.000 0.818 334 L CB 1.662 43.571 42.059 -0.249 0.000 1.259 334 L HN 0.632 nan 8.230 nan 0.000 0.418 335 L N 6.338 127.224 121.223 -0.563 0.000 2.264 335 L HA 0.553 4.892 4.340 -0.001 0.000 0.289 335 L C -1.025 175.559 176.870 -0.477 0.000 1.044 335 L CA 0.154 54.506 54.840 -0.814 0.000 0.807 335 L CB 0.740 41.815 42.059 -1.640 0.000 1.192 335 L HN 0.437 nan 8.230 nan 0.000 0.425 336 I N 7.398 127.771 120.570 -0.327 0.000 2.502 336 I HA 0.340 4.510 4.170 -0.001 0.000 0.276 336 I C -2.290 173.808 176.117 -0.031 0.000 1.057 336 I CA -1.966 59.230 61.300 -0.173 0.000 1.163 336 I CB 1.050 38.923 38.000 -0.212 0.000 1.288 336 I HN 0.427 nan 8.210 nan 0.000 0.479 337 P HA 0.160 nan 4.420 nan 0.000 0.269 337 P C -0.463 177.017 177.300 0.300 0.000 1.209 337 P CA -0.236 62.998 63.100 0.225 0.000 0.776 337 P CB 0.857 32.720 31.700 0.272 0.000 0.876 338 L N 2.806 124.253 121.223 0.372 0.000 2.454 338 L HA 0.758 5.097 4.340 -0.001 0.000 0.258 338 L C -0.145 176.807 176.870 0.136 0.000 1.025 338 L CA 0.388 55.367 54.840 0.230 0.000 0.901 338 L CB 0.481 42.606 42.059 0.110 0.000 1.210 338 L HN 0.614 nan 8.230 nan 0.000 0.457 339 G N 1.660 110.421 108.800 -0.065 0.000 2.342 339 G HA2 0.477 4.437 3.960 -0.001 0.000 0.297 339 G HA3 0.477 4.437 3.960 -0.001 0.000 0.297 339 G C -2.202 172.584 174.900 -0.190 0.000 1.313 339 G CA -0.236 44.579 45.100 -0.475 0.000 0.830 339 G HN 0.393 nan 8.290 nan 0.000 0.506 340 D N -1.737 118.622 120.400 -0.069 0.000 2.865 340 D HA 0.311 4.950 4.640 -0.001 0.000 0.343 340 D C -1.469 174.983 176.300 0.254 0.000 1.372 340 D CA -0.443 53.703 54.000 0.244 0.000 0.862 340 D CB 1.352 42.244 40.800 0.153 0.000 1.425 340 D HN 0.225 nan 8.370 nan 0.000 0.501 341 D N 0.417 121.029 120.400 0.353 0.000 2.450 341 D HA 0.200 4.840 4.640 -0.001 0.000 0.247 341 D C 0.200 176.681 176.300 0.302 0.000 1.162 341 D CA 0.546 54.747 54.000 0.336 0.000 0.879 341 D CB -0.309 40.794 40.800 0.505 0.000 1.163 341 D HN 0.364 nan 8.370 nan 0.000 0.472 342 F N 0.144 120.161 119.950 0.112 0.000 3.048 342 F HA -0.317 4.210 4.527 -0.001 0.000 0.269 342 F C 1.181 177.024 175.800 0.071 0.000 0.960 342 F CA 0.574 58.618 58.000 0.073 0.000 0.909 342 F CB -0.790 38.240 39.000 0.050 0.000 0.837 342 F HN 0.217 nan 8.300 nan 0.000 0.768 343 R N -0.434 120.160 120.500 0.157 0.000 2.580 343 R HA 0.482 4.821 4.340 -0.001 0.000 0.267 343 R C 0.721 177.056 176.300 0.057 0.000 1.125 343 R CA -0.771 55.305 56.100 -0.040 0.000 1.188 343 R CB -0.085 30.076 30.300 -0.232 0.000 1.155 343 R HN 0.228 nan 8.270 nan 0.000 0.586 344 F N -0.674 119.123 119.950 -0.255 0.000 3.039 344 F HA -0.297 4.229 4.527 -0.001 0.000 0.287 344 F C 1.343 177.107 175.800 -0.061 0.000 0.956 344 F CA 1.031 58.683 58.000 -0.579 0.000 0.971 344 F CB -0.918 37.470 39.000 -1.021 0.000 0.943 344 F HN 0.583 nan 8.300 nan 0.000 0.766 345 K N 0.302 120.759 120.400 0.095 0.000 2.107 345 K HA 0.086 4.405 4.320 -0.001 0.000 0.211 345 K C 0.667 177.425 176.600 0.263 0.000 1.024 345 K CA 0.503 56.925 56.287 0.225 0.000 0.953 345 K CB 0.159 32.756 32.500 0.162 0.000 0.831 345 K HN 0.359 nan 8.250 nan 0.000 0.454 346 Q N 1.547 121.460 119.800 0.188 0.000 2.352 346 Q HA 0.055 4.394 4.340 -0.001 0.000 0.260 346 Q C 0.584 176.772 176.000 0.313 0.000 0.976 346 Q CA -0.333 55.606 55.803 0.226 0.000 0.881 346 Q CB 0.960 29.856 28.738 0.263 0.000 1.235 346 Q HN 0.298 nan 8.270 nan 0.000 0.419 347 N N 0.904 119.762 118.700 0.263 0.000 2.137 347 N HA -0.178 4.562 4.740 -0.001 0.000 0.190 347 N C 1.644 177.308 175.510 0.256 0.000 1.017 347 N CA 2.064 55.271 53.050 0.262 0.000 0.859 347 N CB -0.321 38.267 38.487 0.167 0.000 1.002 347 N HN 0.746 nan 8.380 nan 0.000 0.428 348 T N -1.231 113.467 114.554 0.240 0.000 2.833 348 T HA -0.115 4.234 4.350 -0.001 0.000 0.269 348 T C 1.706 176.595 174.700 0.316 0.000 1.054 348 T CA 1.162 63.420 62.100 0.264 0.000 1.135 348 T CB -0.101 68.907 68.868 0.234 0.000 0.869 348 T HN 0.340 nan 8.240 nan 0.000 0.466 349 E N -0.208 120.138 120.200 0.243 0.000 2.072 349 E HA -0.102 4.248 4.350 -0.001 0.000 0.190 349 E C 1.825 178.336 176.600 -0.149 0.000 0.982 349 E CA 0.760 57.082 56.400 -0.129 0.000 0.803 349 E CB -0.257 29.206 29.700 -0.395 0.000 0.755 349 E HN 0.701 nan 8.360 nan 0.000 0.453 350 W N 1.812 123.044 121.300 -0.113 0.000 2.335 350 W HA -0.202 4.457 4.660 -0.001 0.000 0.311 350 W C 2.128 178.489 176.519 -0.263 0.000 1.213 350 W CA 1.372 58.578 57.345 -0.233 0.000 1.274 350 W CB -0.303 28.768 29.460 -0.648 0.000 1.148 350 W HN 0.191 nan 8.180 nan 0.000 0.498 351 D N -0.606 119.839 120.400 0.076 0.000 2.097 351 D HA -0.170 4.470 4.640 -0.001 0.000 0.195 351 D C 2.283 178.650 176.300 0.113 0.000 0.989 351 D CA 1.454 55.540 54.000 0.144 0.000 0.827 351 D CB -1.006 39.903 40.800 0.181 0.000 0.966 351 D HN 0.027 nan 8.370 nan 0.000 0.456 352 V N 0.909 120.884 119.914 0.102 0.000 2.427 352 V HA -0.201 3.919 4.120 -0.001 0.000 0.248 352 V C 2.221 178.348 176.094 0.055 0.000 1.051 352 V CA 1.540 63.887 62.300 0.079 0.000 1.048 352 V CB -0.062 31.858 31.823 0.161 0.000 0.666 352 V HN 0.148 nan 8.190 nan 0.000 0.456 353 Q N -0.343 119.523 119.800 0.109 0.000 2.049 353 Q HA -0.177 4.163 4.340 -0.001 0.000 0.198 353 Q C 2.344 178.534 176.000 0.317 0.000 0.971 353 Q CA 1.795 57.761 55.803 0.271 0.000 0.833 353 Q CB -0.457 28.418 28.738 0.228 0.000 0.896 353 Q HN 0.608 nan 8.270 nan 0.000 0.434 354 R N 0.501 121.143 120.500 0.238 0.000 2.073 354 R HA -0.102 4.238 4.340 -0.001 0.000 0.234 354 R C 2.225 178.688 176.300 0.271 0.000 1.134 354 R CA 1.330 57.617 56.100 0.311 0.000 0.952 354 R CB -0.063 30.396 30.300 0.264 0.000 0.850 354 R HN 0.054 nan 8.270 nan 0.000 0.433 355 V N 1.928 121.921 119.914 0.131 0.000 2.358 355 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 355 V C 1.995 178.028 176.094 -0.102 0.000 1.047 355 V CA 1.822 64.149 62.300 0.044 0.000 1.035 355 V CB -0.592 31.248 31.823 0.028 0.000 0.658 355 V HN 0.438 nan 8.190 nan 0.000 0.452 356 N N -0.700 117.824 118.700 -0.293 0.000 2.142 356 N HA -0.163 4.577 4.740 -0.001 0.000 0.186 356 N C 1.851 177.038 175.510 -0.537 0.000 1.023 356 N CA 1.610 54.275 53.050 -0.641 0.000 0.852 356 N CB -0.293 37.228 38.487 -1.609 0.000 0.998 356 N HN 0.523 nan 8.380 nan 0.000 0.424 357 Y N 1.901 122.009 120.300 -0.320 0.000 2.242 357 Y HA -0.067 4.483 4.550 -0.001 0.000 0.291 357 Y C 2.352 177.753 175.900 -0.832 0.000 1.137 357 Y CA 0.991 58.781 58.100 -0.517 0.000 1.181 357 Y CB -0.072 38.183 38.460 -0.342 0.000 0.989 357 Y HN 0.123 nan 8.280 nan 0.000 0.527 358 E N -0.190 119.872 120.200 -0.230 0.000 2.118 358 E HA -0.230 4.119 4.350 -0.001 0.000 0.195 358 E C 2.181 178.729 176.600 -0.086 0.000 0.992 358 E CA 1.127 57.469 56.400 -0.098 0.000 0.804 358 E CB -0.127 29.648 29.700 0.125 0.000 0.741 358 E HN 0.469 nan 8.360 nan 0.000 0.458 359 R N 0.332 120.761 120.500 -0.119 0.000 2.075 359 R HA -0.093 4.247 4.340 -0.001 0.000 0.232 359 R C 2.447 178.718 176.300 -0.049 0.000 1.126 359 R CA 0.891 56.951 56.100 -0.067 0.000 0.963 359 R CB -0.283 29.956 30.300 -0.102 0.000 0.858 359 R HN 0.155 nan 8.270 nan 0.000 0.435 360 L N -0.364 120.761 121.223 -0.163 0.000 2.017 360 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 360 L C 2.232 179.155 176.870 0.089 0.000 1.073 360 L CA 1.501 56.288 54.840 -0.089 0.000 0.745 360 L CB -0.436 41.484 42.059 -0.231 0.000 0.894 360 L HN 0.160 nan 8.230 nan 0.000 0.432 361 F N -0.056 119.912 119.950 0.029 0.000 2.134 361 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 361 F C 2.715 178.526 175.800 0.018 0.000 1.097 361 F CA 1.054 59.059 58.000 0.008 0.000 1.264 361 F CB -0.222 38.742 39.000 -0.060 0.000 1.001 361 F HN 0.177 nan 8.300 nan 0.000 0.479 362 E N -0.034 120.298 120.200 0.220 0.000 2.077 362 E HA -0.303 4.046 4.350 -0.001 0.000 0.193 362 E C 1.982 178.672 176.600 0.149 0.000 0.989 362 E CA 1.517 58.007 56.400 0.151 0.000 0.800 362 E CB -0.169 29.603 29.700 0.119 0.000 0.746 362 E HN 0.462 nan 8.360 nan 0.000 0.452 363 H N 0.264 119.383 119.070 0.082 0.000 2.299 363 H HA -0.048 4.507 4.556 -0.001 0.000 0.302 363 H C 2.035 177.445 175.328 0.137 0.000 1.078 363 H CA 2.138 58.245 56.048 0.098 0.000 1.323 363 H CB -0.202 29.614 29.762 0.091 0.000 1.381 363 H HN 0.149 nan 8.280 nan 0.000 0.498 364 I N 0.442 121.078 120.570 0.109 0.000 2.163 364 I HA -0.298 3.871 4.170 -0.001 0.000 0.243 364 I C 1.649 177.785 176.117 0.032 0.000 1.085 364 I CA 1.430 62.757 61.300 0.045 0.000 1.347 364 I CB -0.300 37.681 38.000 -0.031 0.000 1.044 364 I HN 0.355 nan 8.210 nan 0.000 0.408 365 N N 0.263 118.979 118.700 0.027 0.000 2.453 365 N HA -0.108 4.632 4.740 -0.001 0.000 0.183 365 N C 1.798 177.291 175.510 -0.028 0.000 1.041 365 N CA 1.414 54.456 53.050 -0.013 0.000 0.900 365 N CB -0.244 38.230 38.487 -0.021 0.000 0.961 365 N HN 0.408 nan 8.380 nan 0.000 0.443 366 S N -1.057 114.619 115.700 -0.041 0.000 2.535 366 S HA 0.143 4.613 4.470 -0.001 0.000 0.214 366 S C 0.520 175.063 174.600 -0.095 0.000 0.980 366 S CA -0.187 57.981 58.200 -0.054 0.000 0.907 366 S CB 0.305 63.488 63.200 -0.029 0.000 0.790 366 S HN -0.045 nan 8.310 nan 0.000 0.510 367 Q N 1.354 121.064 119.800 -0.150 0.000 2.509 367 Q HA 0.550 4.889 4.340 -0.001 0.000 0.230 367 Q C 0.953 176.802 176.000 -0.252 0.000 1.089 367 Q CA 0.087 55.753 55.803 -0.227 0.000 0.901 367 Q CB 1.119 29.597 28.738 -0.434 0.000 1.208 367 Q HN 0.446 nan 8.270 nan 0.000 0.529 368 A N 2.517 125.264 122.820 -0.122 0.000 1.986 368 A HA -0.278 4.042 4.320 -0.001 0.000 0.220 368 A C 1.614 179.128 177.584 -0.117 0.000 1.171 368 A CA 2.239 54.223 52.037 -0.089 0.000 0.640 368 A CB -0.754 18.224 19.000 -0.037 0.000 0.811 368 A HN 0.893 nan 8.150 nan 0.000 0.451 369 H N -3.366 115.624 119.070 -0.134 0.000 2.489 369 H HA -0.049 4.506 4.556 -0.001 0.000 0.295 369 H C 1.536 176.808 175.328 -0.092 0.000 1.082 369 H CA 1.597 57.556 56.048 -0.149 0.000 1.295 369 H CB -0.692 28.925 29.762 -0.241 0.000 1.380 369 H HN 0.523 nan 8.280 nan 0.000 0.548 370 F N 0.747 120.382 119.950 -0.525 0.000 2.367 370 F HA 0.001 4.527 4.527 -0.001 0.000 0.298 370 F C 0.632 176.353 175.800 -0.131 0.000 1.094 370 F CA 0.176 58.011 58.000 -0.276 0.000 1.409 370 F CB 0.078 38.888 39.000 -0.317 0.000 1.064 370 F HN 0.121 nan 8.300 nan 0.000 0.528 371 N N 0.951 119.686 118.700 0.058 0.000 2.725 371 N HA -0.163 4.577 4.740 -0.001 0.000 0.251 371 N C -1.188 174.311 175.510 -0.019 0.000 1.031 371 N CA 0.370 53.442 53.050 0.037 0.000 0.720 371 N CB -1.481 37.073 38.487 0.111 0.000 0.930 371 N HN 0.028 nan 8.380 nan 0.000 0.543 372 V N 0.650 120.540 119.914 -0.040 0.000 2.789 372 V HA 0.401 4.520 4.120 -0.001 0.000 0.311 372 V C 0.067 176.086 176.094 -0.125 0.000 1.073 372 V CA -0.674 61.558 62.300 -0.114 0.000 0.921 372 V CB 2.507 34.278 31.823 -0.088 0.000 1.009 372 V HN 0.188 nan 8.190 nan 0.000 0.426 373 Q N 3.091 122.767 119.800 -0.206 0.000 2.363 373 Q HA 0.755 5.095 4.340 -0.001 0.000 0.265 373 Q C -0.781 174.976 176.000 -0.405 0.000 1.032 373 Q CA -0.147 55.507 55.803 -0.248 0.000 0.746 373 Q CB 1.577 30.173 28.738 -0.238 0.000 1.237 373 Q HN 0.999 nan 8.270 nan 0.000 0.475 374 A N 4.347 126.910 122.820 -0.429 0.000 2.337 374 A HA 0.906 5.226 4.320 -0.001 0.000 0.329 374 A C -1.110 175.785 177.584 -1.149 0.000 1.146 374 A CA -0.487 51.123 52.037 -0.712 0.000 0.800 374 A CB 1.141 19.902 19.000 -0.399 0.000 1.220 374 A HN 0.772 nan 8.150 nan 0.000 0.472 375 Q N 1.247 120.279 119.800 -1.280 0.000 2.633 375 Q HA 0.428 4.767 4.340 -0.001 0.000 0.289 375 Q C -1.603 173.972 176.000 -0.708 0.000 0.940 375 Q CA -0.622 54.464 55.803 -1.194 0.000 0.785 375 Q CB 0.715 29.124 28.738 -0.548 0.000 1.467 375 Q HN 0.479 nan 8.270 nan 0.000 0.401 376 F N 0.264 120.138 119.950 -0.127 0.000 2.471 376 F HA 0.623 5.150 4.527 -0.001 0.000 0.353 376 F C 1.228 177.082 175.800 0.091 0.000 1.113 376 F CA 1.093 59.147 58.000 0.089 0.000 1.262 376 F CB 1.272 40.377 39.000 0.174 0.000 1.146 376 F HN 0.757 nan 8.300 nan 0.000 0.578 377 G N 0.516 109.502 108.800 0.310 0.000 2.687 377 G HA2 0.579 4.539 3.960 -0.001 0.000 0.291 377 G HA3 0.579 4.539 3.960 -0.001 0.000 0.291 377 G C -1.198 173.702 174.900 -0.000 0.000 1.420 377 G CA -0.736 44.476 45.100 0.186 0.000 0.796 377 G HN 0.654 nan 8.290 nan 0.000 0.485 378 T N -1.885 112.587 114.554 -0.137 0.000 2.937 378 T HA 0.477 4.826 4.350 -0.001 0.000 0.283 378 T C 1.290 175.830 174.700 -0.267 0.000 1.012 378 T CA -0.454 61.530 62.100 -0.193 0.000 0.997 378 T CB 1.542 70.311 68.868 -0.166 0.000 1.136 378 T HN 0.569 nan 8.240 nan 0.000 0.551 379 L N 0.538 121.605 121.223 -0.260 0.000 2.046 379 L HA 0.020 4.359 4.340 -0.001 0.000 0.208 379 L C 2.768 179.590 176.870 -0.079 0.000 1.077 379 L CA 1.999 56.714 54.840 -0.208 0.000 0.747 379 L CB -1.102 40.866 42.059 -0.152 0.000 0.896 379 L HN 0.893 nan 8.230 nan 0.000 0.432 380 Q N -0.083 119.697 119.800 -0.033 0.000 2.124 380 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 380 Q C 2.069 177.998 176.000 -0.118 0.000 0.977 380 Q CA 1.954 57.772 55.803 0.024 0.000 0.850 380 Q CB -0.166 28.559 28.738 -0.022 0.000 0.901 380 Q HN 0.636 nan 8.270 nan 0.000 0.429 381 E N -1.172 118.865 120.200 -0.272 0.000 2.077 381 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 381 E C 1.696 177.848 176.600 -0.747 0.000 0.989 381 E CA 1.179 57.294 56.400 -0.475 0.000 0.800 381 E CB -0.316 29.029 29.700 -0.592 0.000 0.746 381 E HN 0.469 nan 8.360 nan 0.000 0.452 382 Y N 0.588 120.349 120.300 -0.898 0.000 2.097 382 Y HA -0.259 4.291 4.550 -0.001 0.000 0.282 382 Y C 1.844 177.451 175.900 -0.487 0.000 1.152 382 Y CA 1.666 59.280 58.100 -0.811 0.000 1.136 382 Y CB -0.592 37.416 38.460 -0.753 0.000 0.975 382 Y HN -0.038 nan 8.280 nan 0.000 0.498 383 F N 0.498 120.180 119.950 -0.448 0.000 2.186 383 F HA -0.210 4.316 4.527 -0.001 0.000 0.299 383 F C 2.214 177.782 175.800 -0.386 0.000 1.090 383 F CA 1.266 58.983 58.000 -0.471 0.000 1.307 383 F CB -0.320 38.597 39.000 -0.138 0.000 1.019 383 F HN 0.070 nan 8.300 nan 0.000 0.489 384 D N 0.358 120.704 120.400 -0.089 0.000 2.123 384 D HA -0.176 4.464 4.640 -0.001 0.000 0.196 384 D C 2.286 178.514 176.300 -0.120 0.000 0.992 384 D CA 1.425 55.384 54.000 -0.067 0.000 0.833 384 D CB -0.529 40.222 40.800 -0.082 0.000 0.954 384 D HN 0.259 nan 8.370 nan 0.000 0.455 385 A N 0.466 123.160 122.820 -0.209 0.000 1.898 385 A HA -0.098 4.222 4.320 -0.001 0.000 0.216 385 A C 2.527 179.993 177.584 -0.197 0.000 1.181 385 A CA 0.954 52.910 52.037 -0.135 0.000 0.620 385 A CB -0.656 18.343 19.000 -0.001 0.000 0.819 385 A HN 0.135 nan 8.150 nan 0.000 0.442 386 V N -0.032 119.628 119.914 -0.425 0.000 2.343 386 V HA -0.260 3.860 4.120 -0.001 0.000 0.247 386 V C 2.418 178.326 176.094 -0.310 0.000 1.051 386 V CA 2.125 64.171 62.300 -0.424 0.000 1.036 386 V CB -1.032 30.351 31.823 -0.734 0.000 0.654 386 V HN 0.651 nan 8.190 nan 0.000 0.451 387 H N -0.254 118.702 119.070 -0.191 0.000 2.462 387 H HA -0.077 4.478 4.556 -0.001 0.000 0.292 387 H C 2.410 177.704 175.328 -0.057 0.000 1.049 387 H CA 1.357 57.325 56.048 -0.134 0.000 1.334 387 H CB -0.070 29.573 29.762 -0.199 0.000 1.404 387 H HN 0.554 nan 8.280 nan 0.000 0.544 388 Q N 0.279 120.097 119.800 0.029 0.000 2.084 388 Q HA -0.054 4.286 4.340 -0.001 0.000 0.202 388 Q C 2.547 178.565 176.000 0.030 0.000 0.978 388 Q CA 1.270 57.087 55.803 0.023 0.000 0.844 388 Q CB 0.013 28.754 28.738 0.005 0.000 0.898 388 Q HN 0.400 nan 8.270 nan 0.000 0.426 389 A N 1.024 123.858 122.820 0.022 0.000 1.898 389 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 389 A C 1.937 179.551 177.584 0.050 0.000 1.181 389 A CA 1.544 53.606 52.037 0.042 0.000 0.620 389 A CB -0.509 18.520 19.000 0.048 0.000 0.819 389 A HN 0.438 nan 8.150 nan 0.000 0.442 390 E N -0.123 120.124 120.200 0.079 0.000 2.038 390 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 390 E C 2.204 178.841 176.600 0.063 0.000 1.000 390 E CA 1.196 57.651 56.400 0.092 0.000 0.803 390 E CB -0.149 29.711 29.700 0.267 0.000 0.750 390 E HN 0.574 nan 8.360 nan 0.000 0.448 391 R N -0.282 120.259 120.500 0.067 0.000 2.189 391 R HA -0.045 4.294 4.340 -0.001 0.000 0.223 391 R C 2.064 178.381 176.300 0.027 0.000 1.092 391 R CA 0.803 56.928 56.100 0.042 0.000 0.989 391 R CB -0.116 30.205 30.300 0.034 0.000 0.876 391 R HN 0.139 nan 8.270 nan 0.000 0.457 392 A N 0.227 123.064 122.820 0.028 0.000 2.238 392 A HA 0.186 4.506 4.320 -0.001 0.000 0.208 392 A C 1.351 178.944 177.584 0.014 0.000 1.177 392 A CA 0.751 52.801 52.037 0.022 0.000 0.804 392 A CB -0.103 18.916 19.000 0.030 0.000 0.823 392 A HN 0.431 nan 8.150 nan 0.000 0.482 393 G N -0.269 108.537 108.800 0.009 0.000 2.137 393 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.237 393 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.237 393 G C 0.690 175.580 174.900 -0.016 0.000 1.002 393 G CA 0.700 45.797 45.100 -0.006 0.000 0.702 393 G HN 0.990 nan 8.290 nan 0.000 0.515 394 Q N -0.823 118.973 119.800 -0.006 0.000 2.425 394 Q HA 0.669 5.008 4.340 -0.001 0.000 0.204 394 Q C 0.868 176.843 176.000 -0.041 0.000 0.933 394 Q CA 1.186 56.987 55.803 -0.003 0.000 0.939 394 Q CB 0.420 29.190 28.738 0.053 0.000 1.044 394 Q HN 1.697 nan 8.270 nan 0.000 0.513 395 A N 1.060 123.815 122.820 -0.109 0.000 2.605 395 A HA 0.528 4.848 4.320 -0.001 0.000 0.294 395 A C -1.727 175.627 177.584 -0.383 0.000 1.062 395 A CA -0.938 50.946 52.037 -0.256 0.000 0.682 395 A CB 1.244 20.042 19.000 -0.338 0.000 1.278 395 A HN 0.367 nan 8.150 nan 0.000 0.410 396 E N 0.705 120.649 120.200 -0.427 0.000 2.317 396 E HA 0.765 5.115 4.350 -0.001 0.000 0.270 396 E C -1.695 174.655 176.600 -0.416 0.000 0.885 396 E CA -0.610 55.598 56.400 -0.321 0.000 0.760 396 E CB 1.928 31.569 29.700 -0.099 0.000 1.227 396 E HN 0.390 nan 8.360 nan 0.000 0.434 397 F N 1.383 121.439 119.950 0.176 0.000 2.492 397 F HA 0.433 4.960 4.527 -0.000 0.000 0.327 397 F C -1.857 174.042 175.800 0.165 0.000 1.079 397 F CA -2.105 56.020 58.000 0.209 0.000 0.967 397 F CB 1.637 40.841 39.000 0.339 0.000 1.169 397 F HN 0.331 nan 8.300 nan 0.000 0.472 398 P HA 0.170 nan 4.420 nan 0.000 0.274 398 P C -0.720 176.717 177.300 0.230 0.000 1.237 398 P CA -0.382 62.846 63.100 0.212 0.000 0.793 398 P CB 1.053 32.847 31.700 0.156 0.000 0.977 399 T N -0.567 114.075 114.554 0.147 0.000 2.907 399 T HA 0.679 5.029 4.350 -0.001 0.000 0.284 399 T C -0.290 174.440 174.700 0.050 0.000 1.004 399 T CA -0.800 61.380 62.100 0.133 0.000 1.063 399 T CB 1.043 69.967 68.868 0.094 0.000 0.992 399 T HN 0.468 nan 8.240 nan 0.000 0.483 400 L N 1.782 123.035 121.223 0.051 0.000 2.472 400 L HA 0.722 5.062 4.340 -0.001 0.000 0.260 400 L C -0.765 176.101 176.870 -0.007 0.000 0.963 400 L CA -0.435 54.329 54.840 -0.126 0.000 0.829 400 L CB 2.185 43.928 42.059 -0.528 0.000 1.348 400 L HN 1.111 nan 8.230 nan 0.000 0.408 401 S N 2.495 118.142 115.700 -0.089 0.000 2.595 401 S HA 1.058 5.528 4.470 -0.001 0.000 0.281 401 S C -0.335 174.192 174.600 -0.122 0.000 1.117 401 S CA -0.002 58.205 58.200 0.011 0.000 0.873 401 S CB 2.067 65.239 63.200 -0.047 0.000 1.108 401 S HN 1.699 nan 8.310 nan 0.000 0.477 402 G N 1.128 109.912 108.800 -0.027 0.000 2.331 402 G HA2 0.320 4.279 3.960 -0.001 0.000 0.479 402 G HA3 0.320 4.279 3.960 -0.001 0.000 0.479 402 G C -1.791 173.013 174.900 -0.160 0.000 1.262 402 G CA 0.006 44.995 45.100 -0.184 0.000 1.029 402 G HN 1.306 nan 8.290 nan 0.000 0.487 403 D N -1.597 118.573 120.400 -0.383 0.000 2.585 403 D HA 0.741 5.381 4.640 -0.001 0.000 0.254 403 D C -0.613 175.185 176.300 -0.838 0.000 1.067 403 D CA -1.080 52.710 54.000 -0.350 0.000 1.090 403 D CB 1.069 41.844 40.800 -0.042 0.000 1.408 403 D HN 0.432 nan 8.370 nan 0.000 0.554 404 F N -0.408 119.409 119.950 -0.221 0.000 2.679 404 F HA 0.417 4.943 4.527 -0.001 0.000 0.354 404 F C -0.791 174.841 175.800 -0.279 0.000 1.423 404 F CA -0.669 57.204 58.000 -0.213 0.000 1.141 404 F CB 0.240 39.146 39.000 -0.156 0.000 1.168 404 F HN -0.001 nan 8.300 nan 0.000 0.530 405 F N -0.669 119.460 119.950 0.297 0.000 2.546 405 F HA 0.522 5.048 4.527 -0.001 0.000 0.320 405 F C 0.527 176.585 175.800 0.430 0.000 1.076 405 F CA -1.177 57.068 58.000 0.409 0.000 0.928 405 F CB 1.925 41.158 39.000 0.389 0.000 1.189 405 F HN -0.265 nan 8.300 nan 0.000 0.465 406 T N 1.739 116.678 114.554 0.641 0.000 2.806 406 T HA 0.137 4.487 4.350 -0.001 0.000 0.290 406 T C -0.914 174.258 174.700 0.787 0.000 0.966 406 T CA -0.243 62.299 62.100 0.737 0.000 1.060 406 T CB 0.238 69.406 68.868 0.500 0.000 0.927 406 T HN 0.364 nan 8.240 nan 0.000 0.485 407 Y N 2.991 123.624 120.300 0.555 0.000 2.497 407 Y HA 0.424 4.973 4.550 -0.001 0.000 0.334 407 Y C -0.137 175.814 175.900 0.085 0.000 1.199 407 Y CA -1.023 57.237 58.100 0.266 0.000 1.425 407 Y CB 0.170 38.669 38.460 0.064 0.000 1.291 407 Y HN 0.684 nan 8.280 nan 0.000 0.562 408 A N 5.047 127.393 122.820 -0.789 0.000 2.374 408 A HA 0.362 4.682 4.320 -0.001 0.000 0.305 408 A C -0.130 176.799 177.584 -1.091 0.000 1.053 408 A CA -0.268 51.149 52.037 -1.033 0.000 0.726 408 A CB 0.728 18.881 19.000 -1.413 0.000 1.229 408 A HN 0.804 nan 8.150 nan 0.000 0.431 409 D N 1.483 121.410 120.400 -0.788 0.000 2.346 409 D HA 0.056 4.696 4.640 -0.001 0.000 0.206 409 D C 0.528 176.832 176.300 0.007 0.000 1.001 409 D CA 0.537 54.337 54.000 -0.333 0.000 0.871 409 D CB 0.167 40.920 40.800 -0.078 0.000 0.943 409 D HN 0.730 nan 8.370 nan 0.000 0.518 410 R N -2.026 118.420 120.500 -0.090 0.000 2.687 410 R HA 0.377 4.717 4.340 -0.001 0.000 0.265 410 R C -0.005 176.187 176.300 -0.179 0.000 1.048 410 R CA -0.099 55.801 56.100 -0.334 0.000 0.884 410 R CB 0.771 30.947 30.300 -0.207 0.000 1.258 410 R HN -0.107 nan 8.270 nan 0.000 0.469 411 S N 0.568 116.116 115.700 -0.254 0.000 4.106 411 S HA -0.331 4.139 4.470 -0.001 0.000 0.541 411 S C 0.621 175.301 174.600 0.134 0.000 1.846 411 S CA 2.164 60.361 58.200 -0.005 0.000 4.137 411 S CB -1.120 62.062 63.200 -0.029 0.000 0.892 411 S HN 1.081 nan 8.310 nan 0.000 0.535 412 D N 1.418 121.884 120.400 0.109 0.000 2.388 412 D HA 0.201 4.841 4.640 -0.001 0.000 0.221 412 D C 0.009 176.417 176.300 0.180 0.000 1.133 412 D CA -0.168 53.963 54.000 0.218 0.000 0.831 412 D CB -1.536 39.374 40.800 0.185 0.000 0.962 412 D HN 0.553 nan 8.370 nan 0.000 0.502 413 N N 0.960 119.670 118.700 0.016 0.000 2.739 413 N HA 0.047 4.786 4.740 -0.001 0.000 0.266 413 N C -0.926 174.607 175.510 0.039 0.000 1.168 413 N CA -0.302 52.763 53.050 0.025 0.000 1.055 413 N CB 0.132 38.619 38.487 0.000 0.000 1.393 413 N HN 0.137 nan 8.380 nan 0.000 0.514 414 Y N 0.251 120.643 120.300 0.153 0.000 2.316 414 Y HA 0.107 4.656 4.550 -0.001 0.000 0.331 414 Y C 0.105 176.212 175.900 0.345 0.000 1.083 414 Y CA -0.679 57.574 58.100 0.255 0.000 1.206 414 Y CB 0.531 39.088 38.460 0.163 0.000 1.195 414 Y HN 0.391 nan 8.280 nan 0.000 0.497 415 W N 2.583 124.018 121.300 0.224 0.000 1.496 415 W HA 0.214 4.873 4.660 -0.001 0.000 0.422 415 W C 0.851 177.435 176.519 0.109 0.000 0.638 415 W CA -0.523 56.986 57.345 0.272 0.000 2.105 415 W CB -0.520 29.196 29.460 0.427 0.000 1.639 415 W HN 0.555 nan 8.180 nan 0.000 0.304 416 S N -2.073 113.680 115.700 0.089 0.000 2.540 416 S HA 0.139 4.608 4.470 -0.001 0.000 0.218 416 S C 1.926 176.276 174.600 -0.417 0.000 0.977 416 S CA 0.304 58.199 58.200 -0.508 0.000 0.918 416 S CB 0.191 63.394 63.200 0.005 0.000 0.806 416 S HN 0.336 nan 8.310 nan 0.000 0.496 417 G N 1.983 110.728 108.800 -0.091 0.000 2.408 417 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.217 417 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.217 417 G C 1.239 176.120 174.900 -0.031 0.000 1.150 417 G CA 0.871 45.922 45.100 -0.083 0.000 0.776 417 G HN 0.805 nan 8.290 nan 0.000 0.542 418 Y N -0.908 119.360 120.300 -0.053 0.000 2.632 418 Y HA 0.185 4.735 4.550 -0.001 0.000 0.301 418 Y C 1.935 177.949 175.900 0.189 0.000 1.172 418 Y CA -0.053 58.092 58.100 0.076 0.000 1.328 418 Y CB -0.515 38.075 38.460 0.215 0.000 1.016 418 Y HN 0.331 nan 8.280 nan 0.000 0.529 419 Y N 0.271 120.342 120.300 -0.381 0.000 2.497 419 Y HA -0.098 4.451 4.550 -0.001 0.000 0.292 419 Y C 1.478 177.318 175.900 -0.100 0.000 1.137 419 Y CA 0.651 58.556 58.100 -0.326 0.000 1.285 419 Y CB 0.182 38.494 38.460 -0.246 0.000 0.991 419 Y HN 0.257 nan 8.280 nan 0.000 0.556 420 T N -2.303 112.309 114.554 0.098 0.000 2.964 420 T HA 0.048 4.397 4.350 -0.001 0.000 0.250 420 T C 0.638 175.418 174.700 0.134 0.000 0.982 420 T CA -0.163 61.998 62.100 0.101 0.000 0.959 420 T CB 0.126 69.025 68.868 0.052 0.000 1.141 420 T HN -0.088 nan 8.240 nan 0.000 0.494 421 S N 2.470 118.247 115.700 0.129 0.000 2.573 421 S HA 0.180 4.649 4.470 -0.001 0.000 0.297 421 S C 0.409 175.137 174.600 0.214 0.000 1.280 421 S CA 0.000 58.289 58.200 0.148 0.000 1.061 421 S CB 0.077 63.352 63.200 0.125 0.000 0.812 421 S HN 0.402 nan 8.310 nan 0.000 0.500 422 R N 1.024 121.667 120.500 0.238 0.000 3.146 422 R HA -0.123 4.216 4.340 -0.001 0.000 0.250 422 R C -1.965 174.569 176.300 0.390 0.000 0.912 422 R CA 0.686 57.000 56.100 0.357 0.000 0.633 422 R CB -1.769 28.779 30.300 0.414 0.000 1.180 422 R HN 0.511 nan 8.270 nan 0.000 0.464 423 P HA -0.222 nan 4.420 nan 0.000 0.223 423 P C 1.107 178.598 177.300 0.318 0.000 1.151 423 P CA 0.981 64.284 63.100 0.338 0.000 0.787 423 P CB -0.016 31.928 31.700 0.407 0.000 0.788 424 Y N 1.495 121.865 120.300 0.116 0.000 2.165 424 Y HA -0.255 4.295 4.550 -0.001 0.000 0.286 424 Y C 2.289 178.143 175.900 -0.078 0.000 1.155 424 Y CA 2.065 60.150 58.100 -0.026 0.000 1.164 424 Y CB -0.909 37.410 38.460 -0.236 0.000 0.978 424 Y HN 0.069 nan 8.280 nan 0.000 0.513 425 H N -0.911 118.379 119.070 0.368 0.000 2.470 425 H HA 0.019 4.574 4.556 -0.001 0.000 0.289 425 H C 2.045 177.492 175.328 0.199 0.000 1.033 425 H CA 1.243 57.426 56.048 0.224 0.000 1.331 425 H CB -0.084 29.877 29.762 0.332 0.000 1.414 425 H HN 0.234 nan 8.280 nan 0.000 0.545 426 K N 0.391 120.985 120.400 0.323 0.000 2.057 426 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 426 K C 2.254 178.893 176.600 0.066 0.000 1.049 426 K CA 1.295 57.716 56.287 0.223 0.000 0.931 426 K CB 0.060 32.675 32.500 0.191 0.000 0.714 426 K HN 0.035 nan 8.250 nan 0.000 0.440 427 R N 1.341 121.847 120.500 0.009 0.000 2.073 427 R HA 0.006 4.345 4.340 -0.001 0.000 0.229 427 R C 2.054 178.093 176.300 -0.435 0.000 1.120 427 R CA 1.396 57.434 56.100 -0.104 0.000 0.967 427 R CB -0.422 29.907 30.300 0.049 0.000 0.862 427 R HN 0.156 nan 8.270 nan 0.000 0.436 428 M N 0.331 119.528 119.600 -0.672 0.000 2.149 428 M HA -0.212 4.267 4.480 -0.001 0.000 0.261 428 M C 1.444 177.368 176.300 -0.626 0.000 1.064 428 M CA 2.440 57.089 55.300 -1.085 0.000 1.102 428 M CB -0.337 31.793 32.600 -0.783 0.000 1.369 428 M HN 0.290 nan 8.290 nan 0.000 0.408 429 D N -0.276 119.959 120.400 -0.276 0.000 2.116 429 D HA -0.220 4.420 4.640 -0.001 0.000 0.193 429 D C 1.893 178.095 176.300 -0.163 0.000 0.998 429 D CA 1.490 55.438 54.000 -0.087 0.000 0.836 429 D CB 0.108 41.007 40.800 0.164 0.000 0.951 429 D HN 0.217 nan 8.370 nan 0.000 0.449 430 R N 0.041 120.431 120.500 -0.183 0.000 2.115 430 R HA -0.007 4.333 4.340 -0.001 0.000 0.226 430 R C 2.431 178.608 176.300 -0.206 0.000 1.100 430 R CA 0.421 56.424 56.100 -0.163 0.000 0.980 430 R CB -0.953 29.275 30.300 -0.121 0.000 0.875 430 R HN 0.262 nan 8.270 nan 0.000 0.445 431 V N 1.509 121.198 119.914 -0.375 0.000 2.261 431 V HA -0.216 3.904 4.120 -0.001 0.000 0.246 431 V C 2.366 178.238 176.094 -0.369 0.000 1.047 431 V CA 1.535 63.582 62.300 -0.422 0.000 1.015 431 V CB -0.580 30.704 31.823 -0.898 0.000 0.642 431 V HN 0.139 nan 8.190 nan 0.000 0.446 432 L N -0.394 120.552 121.223 -0.462 0.000 2.083 432 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 432 L C 2.309 179.092 176.870 -0.145 0.000 1.083 432 L CA 2.011 56.655 54.840 -0.328 0.000 0.752 432 L CB -0.668 41.200 42.059 -0.319 0.000 0.899 432 L HN 0.335 nan 8.230 nan 0.000 0.433 433 M N -1.301 118.218 119.600 -0.135 0.000 2.073 433 M HA -0.337 4.143 4.480 -0.001 0.000 0.258 433 M C 2.378 178.637 176.300 -0.069 0.000 1.070 433 M CA 2.441 57.671 55.300 -0.115 0.000 1.103 433 M CB -0.414 32.088 32.600 -0.163 0.000 1.321 433 M HN 0.549 nan 8.290 nan 0.000 0.405 434 H N -0.717 118.311 119.070 -0.070 0.000 2.357 434 H HA -0.158 4.398 4.556 -0.001 0.000 0.301 434 H C 1.488 176.880 175.328 0.106 0.000 1.082 434 H CA 2.367 58.416 56.048 0.002 0.000 1.342 434 H CB -0.381 29.397 29.762 0.026 0.000 1.389 434 H HN 0.476 nan 8.280 nan 0.000 0.511 435 Y N -0.433 119.729 120.300 -0.231 0.000 2.224 435 Y HA -0.157 4.392 4.550 -0.001 0.000 0.289 435 Y C 2.749 178.532 175.900 -0.196 0.000 1.146 435 Y CA 1.182 59.153 58.100 -0.215 0.000 1.182 435 Y CB -0.627 37.766 38.460 -0.112 0.000 0.983 435 Y HN 0.116 nan 8.280 nan 0.000 0.524 436 V N 0.090 119.998 119.914 -0.010 0.000 2.307 436 V HA -0.297 3.823 4.120 -0.001 0.000 0.245 436 V C 2.536 178.575 176.094 -0.092 0.000 1.045 436 V CA 2.144 64.409 62.300 -0.057 0.000 1.024 436 V CB -0.572 31.207 31.823 -0.074 0.000 0.651 436 V HN 0.304 nan 8.190 nan 0.000 0.449 437 R N 0.438 120.863 120.500 -0.126 0.000 2.083 437 R HA -0.183 4.156 4.340 -0.001 0.000 0.237 437 R C 2.254 178.495 176.300 -0.098 0.000 1.137 437 R CA 1.925 57.958 56.100 -0.112 0.000 0.951 437 R CB -0.507 29.725 30.300 -0.115 0.000 0.851 437 R HN 0.457 nan 8.270 nan 0.000 0.434 438 A N 0.628 123.332 122.820 -0.193 0.000 1.933 438 A HA -0.053 4.267 4.320 -0.001 0.000 0.218 438 A C 2.361 179.906 177.584 -0.065 0.000 1.175 438 A CA 1.590 53.579 52.037 -0.079 0.000 0.628 438 A CB -0.702 18.181 19.000 -0.195 0.000 0.814 438 A HN 0.580 nan 8.150 nan 0.000 0.444 439 A N -0.172 122.597 122.820 -0.086 0.000 1.898 439 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 439 A C 1.938 179.478 177.584 -0.074 0.000 1.181 439 A CA 1.516 53.511 52.037 -0.070 0.000 0.620 439 A CB -0.478 18.488 19.000 -0.057 0.000 0.819 439 A HN 0.615 nan 8.150 nan 0.000 0.442 440 E N -0.963 119.192 120.200 -0.076 0.000 2.072 440 E HA -0.191 4.158 4.350 -0.001 0.000 0.191 440 E C 2.062 178.604 176.600 -0.097 0.000 0.985 440 E CA 1.335 57.682 56.400 -0.088 0.000 0.801 440 E CB -0.252 29.397 29.700 -0.085 0.000 0.750 440 E HN 0.745 nan 8.360 nan 0.000 0.452 441 M N 0.729 120.293 119.600 -0.060 0.000 2.099 441 M HA -0.139 4.341 4.480 -0.001 0.000 0.262 441 M C 2.160 178.455 176.300 -0.009 0.000 1.067 441 M CA 1.317 56.584 55.300 -0.057 0.000 1.124 441 M CB 0.050 32.713 32.600 0.104 0.000 1.353 441 M HN 0.073 nan 8.290 nan 0.000 0.410 442 L N 0.056 121.321 121.223 0.072 0.000 2.083 442 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 442 L C 2.595 179.616 176.870 0.251 0.000 1.083 442 L CA 1.697 56.635 54.840 0.163 0.000 0.752 442 L CB -0.522 41.482 42.059 -0.091 0.000 0.899 442 L HN 0.511 nan 8.230 nan 0.000 0.433 443 S N -1.066 114.707 115.700 0.121 0.000 2.528 443 S HA 0.086 4.555 4.470 -0.001 0.000 0.219 443 S C 1.946 176.715 174.600 0.280 0.000 0.985 443 S CA 0.361 58.711 58.200 0.251 0.000 0.914 443 S CB 0.072 63.228 63.200 -0.073 0.000 0.776 443 S HN 0.290 nan 8.310 nan 0.000 0.526 444 A N 0.928 123.737 122.820 -0.018 0.000 2.015 444 A HA 0.109 4.428 4.320 -0.001 0.000 0.219 444 A C 1.687 179.156 177.584 -0.191 0.000 1.163 444 A CA 0.706 52.637 52.037 -0.178 0.000 0.646 444 A CB -1.164 17.580 19.000 -0.427 0.000 0.806 444 A HN 0.749 nan 8.150 nan 0.000 0.448 445 W N -0.536 120.768 121.300 0.008 0.000 2.364 445 W HA -0.046 4.614 4.660 -0.001 0.000 0.281 445 W C 0.929 177.250 176.519 -0.330 0.000 1.219 445 W CA 1.110 58.361 57.345 -0.157 0.000 1.220 445 W CB -0.190 29.119 29.460 -0.251 0.000 1.127 445 W HN 0.403 nan 8.180 nan 0.000 0.556 446 H N -2.397 116.726 119.070 0.089 0.000 2.771 446 H HA 0.364 4.919 4.556 -0.001 0.000 0.367 446 H C -0.398 174.828 175.328 -0.170 0.000 1.172 446 H CA -0.964 54.979 56.048 -0.175 0.000 1.186 446 H CB 1.711 31.126 29.762 -0.578 0.000 1.790 446 H HN -0.431 nan 8.280 nan 0.000 0.556 447 S N 0.859 116.519 115.700 -0.066 0.000 2.537 447 S HA 0.297 4.766 4.470 -0.001 0.000 0.275 447 S C -1.352 173.151 174.600 -0.162 0.000 1.272 447 S CA -0.641 57.546 58.200 -0.022 0.000 1.050 447 S CB 0.186 63.377 63.200 -0.014 0.000 0.961 447 S HN 0.410 nan 8.310 nan 0.000 0.496 448 W N 2.350 123.651 121.300 0.000 0.000 2.666 448 W HA 0.363 5.023 4.660 -0.001 0.000 0.334 448 W C -0.053 176.423 176.519 -0.071 0.000 1.051 448 W CA -0.819 56.500 57.345 -0.043 0.000 1.224 448 W CB 0.717 30.118 29.460 -0.098 0.000 1.405 448 W HN 0.665 nan 8.180 nan 0.000 0.513 449 D N 0.708 121.192 120.400 0.140 0.000 2.423 449 D HA 0.167 4.807 4.640 -0.001 0.000 0.238 449 D C 1.643 177.941 176.300 -0.003 0.000 1.142 449 D CA 1.039 55.079 54.000 0.067 0.000 0.884 449 D CB 1.233 42.097 40.800 0.106 0.000 1.199 449 D HN 0.552 nan 8.370 nan 0.000 0.438 450 G N 2.525 111.331 108.800 0.010 0.000 2.462 450 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.220 450 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.220 450 G C 1.335 176.205 174.900 -0.051 0.000 1.121 450 G CA 0.500 45.591 45.100 -0.015 0.000 0.758 450 G HN 0.574 nan 8.290 nan 0.000 0.559 451 M N 0.734 120.314 119.600 -0.033 0.000 2.460 451 M HA 0.068 4.548 4.480 -0.001 0.000 0.263 451 M C 2.744 178.952 176.300 -0.154 0.000 1.071 451 M CA 0.894 56.196 55.300 0.003 0.000 1.096 451 M CB 0.026 32.726 32.600 0.166 0.000 1.408 451 M HN 0.310 nan 8.290 nan 0.000 0.463 452 A N 0.155 122.642 122.820 -0.555 0.000 2.167 452 A HA -0.012 4.308 4.320 -0.001 0.000 0.214 452 A C 1.178 178.548 177.584 -0.355 0.000 1.151 452 A CA 0.339 51.830 52.037 -0.910 0.000 0.735 452 A CB -0.313 17.990 19.000 -1.161 0.000 0.802 452 A HN 0.566 nan 8.150 nan 0.000 0.467 453 R N -1.641 118.731 120.500 -0.213 0.000 3.758 453 R HA -0.184 4.155 4.340 -0.001 0.000 0.299 453 R C 0.680 176.872 176.300 -0.180 0.000 1.182 453 R CA 0.757 56.775 56.100 -0.137 0.000 0.809 453 R CB -2.102 28.153 30.300 -0.076 0.000 1.249 453 R HN 0.476 nan 8.270 nan 0.000 0.497 454 I N 0.516 120.928 120.570 -0.264 0.000 2.163 454 I HA -0.181 3.988 4.170 -0.001 0.000 0.240 454 I C 2.127 178.122 176.117 -0.203 0.000 1.081 454 I CA 1.658 62.758 61.300 -0.333 0.000 1.353 454 I CB -0.678 36.973 38.000 -0.582 0.000 1.054 454 I HN 0.194 nan 8.210 nan 0.000 0.407 455 E N 0.720 120.837 120.200 -0.138 0.000 2.110 455 E HA -0.237 4.113 4.350 -0.001 0.000 0.193 455 E C 2.089 178.644 176.600 -0.075 0.000 0.988 455 E CA 1.203 57.550 56.400 -0.087 0.000 0.804 455 E CB -0.234 29.437 29.700 -0.048 0.000 0.745 455 E HN 0.486 nan 8.360 nan 0.000 0.458 456 E N 0.416 120.573 120.200 -0.071 0.000 2.051 456 E HA -0.241 4.108 4.350 -0.001 0.000 0.192 456 E C 1.917 178.479 176.600 -0.062 0.000 0.991 456 E CA 1.026 57.394 56.400 -0.054 0.000 0.799 456 E CB 0.099 29.772 29.700 -0.045 0.000 0.748 456 E HN -0.030 nan 8.360 nan 0.000 0.449 457 R N 0.282 120.734 120.500 -0.080 0.000 2.092 457 R HA 0.012 4.352 4.340 -0.001 0.000 0.231 457 R C 2.377 178.629 176.300 -0.079 0.000 1.119 457 R CA 0.861 56.916 56.100 -0.074 0.000 0.970 457 R CB -0.435 29.815 30.300 -0.083 0.000 0.864 457 R HN 0.277 nan 8.270 nan 0.000 0.440 458 L N -0.128 121.037 121.223 -0.096 0.000 2.093 458 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 458 L C 2.355 179.169 176.870 -0.092 0.000 1.085 458 L CA 1.429 56.213 54.840 -0.094 0.000 0.755 458 L CB -0.401 41.596 42.059 -0.104 0.000 0.904 458 L HN 0.296 nan 8.230 nan 0.000 0.435 459 E N 0.199 120.348 120.200 -0.085 0.000 2.077 459 E HA -0.302 4.048 4.350 -0.001 0.000 0.193 459 E C 2.204 178.736 176.600 -0.114 0.000 0.989 459 E CA 1.268 57.610 56.400 -0.097 0.000 0.800 459 E CB -0.007 29.657 29.700 -0.061 0.000 0.746 459 E HN 0.432 nan 8.360 nan 0.000 0.452 460 Q N 0.073 119.825 119.800 -0.080 0.000 2.061 460 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 460 Q C 2.088 178.040 176.000 -0.080 0.000 0.984 460 Q CA 1.742 57.504 55.803 -0.068 0.000 0.846 460 Q CB -0.249 28.463 28.738 -0.044 0.000 0.902 460 Q HN 0.357 nan 8.270 nan 0.000 0.421 461 A N 1.056 123.830 122.820 -0.077 0.000 1.877 461 A HA -0.181 4.139 4.320 -0.001 0.000 0.216 461 A C 2.095 179.618 177.584 -0.101 0.000 1.186 461 A CA 1.465 53.458 52.037 -0.075 0.000 0.620 461 A CB -0.520 18.444 19.000 -0.060 0.000 0.822 461 A HN 0.384 nan 8.150 nan 0.000 0.443 462 R N -0.799 119.623 120.500 -0.130 0.000 2.096 462 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 462 R C 2.427 178.580 176.300 -0.245 0.000 1.127 462 R CA 1.600 57.599 56.100 -0.168 0.000 0.968 462 R CB -0.268 29.922 30.300 -0.183 0.000 0.861 462 R HN 0.489 nan 8.270 nan 0.000 0.440 463 R N 0.177 120.501 120.500 -0.295 0.000 2.090 463 R HA -0.053 4.286 4.340 -0.001 0.000 0.228 463 R C 2.040 178.268 176.300 -0.120 0.000 1.110 463 R CA 0.833 56.682 56.100 -0.419 0.000 0.973 463 R CB 0.063 30.133 30.300 -0.384 0.000 0.869 463 R HN 0.177 nan 8.270 nan 0.000 0.440 464 E N 0.778 120.945 120.200 -0.055 0.000 2.107 464 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 464 E C 1.954 178.581 176.600 0.044 0.000 0.982 464 E CA 0.701 57.114 56.400 0.022 0.000 0.809 464 E CB -0.191 29.510 29.700 0.002 0.000 0.756 464 E HN 0.141 nan 8.360 nan 0.000 0.459 465 L N 1.245 122.462 121.223 -0.010 0.000 2.056 465 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 465 L C 2.144 179.054 176.870 0.066 0.000 1.078 465 L CA 1.589 56.440 54.840 0.019 0.000 0.749 465 L CB -0.626 41.409 42.059 -0.039 0.000 0.901 465 L HN -0.099 nan 8.230 nan 0.000 0.433 466 S N -0.370 115.336 115.700 0.010 0.000 2.370 466 S HA -0.190 4.280 4.470 -0.001 0.000 0.226 466 S C 1.852 176.593 174.600 0.234 0.000 1.033 466 S CA 1.599 59.840 58.200 0.067 0.000 1.011 466 S CB -0.592 62.549 63.200 -0.099 0.000 0.852 466 S HN 0.460 nan 8.310 nan 0.000 0.457 467 L N 0.615 122.018 121.223 0.300 0.000 2.042 467 L HA -0.014 4.326 4.340 -0.001 0.000 0.210 467 L C 1.882 178.853 176.870 0.167 0.000 1.076 467 L CA 1.602 56.616 54.840 0.290 0.000 0.749 467 L CB -0.595 41.611 42.059 0.246 0.000 0.893 467 L HN 0.281 nan 8.230 nan 0.000 0.432 468 F N -0.287 119.632 119.950 -0.051 0.000 2.451 468 F HA -0.142 4.385 4.527 -0.001 0.000 0.299 468 F C 2.213 177.929 175.800 -0.140 0.000 1.101 468 F CA 0.893 58.753 58.000 -0.234 0.000 1.436 468 F CB -0.217 38.678 39.000 -0.175 0.000 1.074 468 F HN 0.242 nan 8.300 nan 0.000 0.553 469 Q N -0.405 119.349 119.800 -0.076 0.000 2.437 469 Q HA -0.153 4.187 4.340 -0.001 0.000 0.210 469 Q C 0.578 176.512 176.000 -0.109 0.000 0.972 469 Q CA 0.523 56.262 55.803 -0.107 0.000 0.903 469 Q CB -1.338 27.409 28.738 0.015 0.000 0.967 469 Q HN 0.500 nan 8.270 nan 0.000 0.486 470 H N 1.969 120.923 119.070 -0.193 0.000 3.073 470 H HA -0.120 4.436 4.556 -0.001 0.000 0.340 470 H C 1.304 176.477 175.328 -0.258 0.000 1.054 470 H CA 0.774 56.704 56.048 -0.196 0.000 1.372 470 H CB 0.549 30.210 29.762 -0.170 0.000 1.314 470 H HN 0.251 nan 8.280 nan 0.000 0.603 471 H N 1.976 120.625 119.070 -0.702 0.000 2.562 471 H HA -0.006 4.549 4.556 -0.001 0.000 0.272 471 H C -0.322 174.581 175.328 -0.710 0.000 1.019 471 H CA 0.712 56.323 56.048 -0.728 0.000 1.160 471 H CB 0.295 29.646 29.762 -0.686 0.000 1.334 471 H HN 0.601 nan 8.280 nan 0.000 0.611 472 D N 0.328 120.042 120.400 -1.144 0.000 2.503 472 D HA 0.128 4.767 4.640 -0.001 0.000 0.218 472 D C 1.604 177.876 176.300 -0.047 0.000 1.183 472 D CA 0.294 54.142 54.000 -0.252 0.000 0.827 472 D CB 0.868 41.747 40.800 0.131 0.000 1.034 472 D HN 0.527 nan 8.370 nan 0.000 0.510 473 G N 1.251 109.810 108.800 -0.402 0.000 2.600 473 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.225 473 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.225 473 G C 1.351 175.665 174.900 -0.977 0.000 1.623 473 G CA -0.198 44.404 45.100 -0.831 0.000 0.903 473 G HN 0.197 nan 8.290 nan 0.000 0.574 474 I N 2.005 121.713 120.570 -1.437 0.000 2.423 474 I HA -0.182 3.988 4.170 -0.001 0.000 0.254 474 I C 2.897 178.919 176.117 -0.158 0.000 1.151 474 I CA 2.068 62.855 61.300 -0.854 0.000 1.421 474 I CB -0.045 37.619 38.000 -0.560 0.000 1.079 474 I HN 0.378 nan 8.210 nan 0.000 0.431 475 T N -1.625 112.881 114.554 -0.080 0.000 3.007 475 T HA 0.006 4.355 4.350 -0.001 0.000 0.270 475 T C 1.550 176.391 174.700 0.236 0.000 1.107 475 T CA 0.654 62.894 62.100 0.233 0.000 1.118 475 T CB -0.582 68.421 68.868 0.226 0.000 0.889 475 T HN 0.647 nan 8.240 nan 0.000 0.506 476 G N 1.423 110.319 108.800 0.160 0.000 2.176 476 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 476 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 476 G C 0.542 175.511 174.900 0.116 0.000 1.024 476 G CA 0.661 45.875 45.100 0.190 0.000 0.755 476 G HN 1.173 nan 8.290 nan 0.000 0.507 477 T N -3.467 111.147 114.554 0.101 0.000 3.215 477 T HA 0.740 5.090 4.350 -0.001 0.000 0.271 477 T C 0.830 175.723 174.700 0.322 0.000 1.012 477 T CA 1.012 63.105 62.100 -0.010 0.000 0.899 477 T CB 0.993 69.669 68.868 -0.319 0.000 1.089 477 T HN 1.565 nan 8.240 nan 0.000 0.552 478 A N 1.268 124.296 122.820 0.348 0.000 2.281 478 A HA 0.699 5.018 4.320 -0.001 0.000 0.329 478 A C 0.177 177.876 177.584 0.191 0.000 1.122 478 A CA -0.949 51.333 52.037 0.408 0.000 0.850 478 A CB 0.888 20.159 19.000 0.452 0.000 1.207 478 A HN 0.396 nan 8.150 nan 0.000 0.495 479 K N -0.155 120.290 120.400 0.076 0.000 2.276 479 K HA 0.142 4.462 4.320 -0.001 0.000 0.259 479 K C 1.085 177.701 176.600 0.026 0.000 1.001 479 K CA 0.386 56.691 56.287 0.030 0.000 0.927 479 K CB 0.359 32.866 32.500 0.012 0.000 0.969 479 K HN 0.743 nan 8.250 nan 0.000 0.490 480 T N 1.373 115.971 114.554 0.073 0.000 2.653 480 T HA -0.208 4.141 4.350 -0.001 0.000 0.268 480 T C 1.662 176.399 174.700 0.061 0.000 1.035 480 T CA 1.867 64.011 62.100 0.074 0.000 1.154 480 T CB -0.425 68.495 68.868 0.087 0.000 0.862 480 T HN 0.694 nan 8.240 nan 0.000 0.441 481 H N 0.558 119.625 119.070 -0.005 0.000 2.495 481 H HA 0.108 4.663 4.556 -0.001 0.000 0.287 481 H C 2.023 177.325 175.328 -0.043 0.000 1.033 481 H CA 0.818 56.855 56.048 -0.019 0.000 1.307 481 H CB -0.792 28.955 29.762 -0.026 0.000 1.401 481 H HN 0.279 nan 8.280 nan 0.000 0.555 482 V N 1.134 120.708 119.914 -0.566 0.000 2.407 482 V HA -0.164 3.955 4.120 -0.001 0.000 0.245 482 V C 3.019 178.927 176.094 -0.310 0.000 1.041 482 V CA 1.084 63.078 62.300 -0.509 0.000 1.040 482 V CB -0.446 31.126 31.823 -0.418 0.000 0.671 482 V HN 0.232 nan 8.190 nan 0.000 0.455 483 V N 0.020 119.886 119.914 -0.079 0.000 2.332 483 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 483 V C 2.462 178.527 176.094 -0.047 0.000 1.055 483 V CA 1.982 64.289 62.300 0.012 0.000 1.038 483 V CB -0.521 31.276 31.823 -0.044 0.000 0.651 483 V HN 0.414 nan 8.190 nan 0.000 0.450 484 V N 0.350 120.246 119.914 -0.029 0.000 2.343 484 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 484 V C 2.306 178.411 176.094 0.017 0.000 1.051 484 V CA 2.433 64.748 62.300 0.024 0.000 1.036 484 V CB -0.673 31.177 31.823 0.045 0.000 0.654 484 V HN 0.651 nan 8.190 nan 0.000 0.451 485 D N -0.956 119.412 120.400 -0.055 0.000 2.097 485 D HA -0.208 4.431 4.640 -0.001 0.000 0.195 485 D C 2.004 178.309 176.300 0.007 0.000 0.989 485 D CA 1.687 55.651 54.000 -0.059 0.000 0.827 485 D CB -0.257 40.450 40.800 -0.155 0.000 0.966 485 D HN 0.597 nan 8.370 nan 0.000 0.456 486 Y N 0.420 120.753 120.300 0.056 0.000 2.181 486 Y HA -0.135 4.414 4.550 -0.001 0.000 0.288 486 Y C 2.572 178.440 175.900 -0.053 0.000 1.146 486 Y CA 1.141 59.270 58.100 0.047 0.000 1.164 486 Y CB -0.153 38.407 38.460 0.167 0.000 0.982 486 Y HN 0.089 nan 8.280 nan 0.000 0.515 487 E N 0.531 120.820 120.200 0.149 0.000 2.051 487 E HA -0.265 4.085 4.350 -0.001 0.000 0.192 487 E C 2.006 178.676 176.600 0.117 0.000 0.991 487 E CA 1.368 57.871 56.400 0.171 0.000 0.799 487 E CB -0.055 29.828 29.700 0.305 0.000 0.748 487 E HN 0.561 nan 8.360 nan 0.000 0.449 488 Q N -0.052 119.806 119.800 0.096 0.000 2.084 488 Q HA -0.167 4.172 4.340 -0.001 0.000 0.202 488 Q C 2.334 178.367 176.000 0.055 0.000 0.978 488 Q CA 1.469 57.314 55.803 0.071 0.000 0.844 488 Q CB -0.073 28.699 28.738 0.057 0.000 0.898 488 Q HN 0.192 nan 8.270 nan 0.000 0.426 489 R N 0.020 120.557 120.500 0.061 0.000 2.081 489 R HA -0.065 4.274 4.340 -0.001 0.000 0.235 489 R C 2.278 178.587 176.300 0.016 0.000 1.131 489 R CA 1.456 57.585 56.100 0.048 0.000 0.960 489 R CB -0.162 30.190 30.300 0.087 0.000 0.856 489 R HN 0.295 nan 8.270 nan 0.000 0.436 490 M N -0.029 119.566 119.600 -0.009 0.000 2.229 490 M HA -0.168 4.311 4.480 -0.001 0.000 0.264 490 M C 2.286 178.555 176.300 -0.052 0.000 1.063 490 M CA 1.346 56.600 55.300 -0.076 0.000 1.114 490 M CB -0.127 32.362 32.600 -0.185 0.000 1.387 490 M HN 0.046 nan 8.290 nan 0.000 0.420 491 Q N 0.907 120.713 119.800 0.010 0.000 2.084 491 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 491 Q C 1.756 177.767 176.000 0.019 0.000 0.978 491 Q CA 1.616 57.441 55.803 0.037 0.000 0.844 491 Q CB -0.079 28.704 28.738 0.075 0.000 0.898 491 Q HN 0.312 nan 8.270 nan 0.000 0.426 492 E N -0.176 120.034 120.200 0.015 0.000 2.077 492 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 492 E C 1.816 178.414 176.600 -0.003 0.000 0.989 492 E CA 1.186 57.592 56.400 0.010 0.000 0.800 492 E CB -0.478 29.229 29.700 0.011 0.000 0.746 492 E HN 0.453 nan 8.360 nan 0.000 0.452 493 A N 1.071 123.879 122.820 -0.020 0.000 1.902 493 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 493 A C 2.410 179.977 177.584 -0.029 0.000 1.181 493 A CA 1.075 53.091 52.037 -0.035 0.000 0.623 493 A CB -0.719 18.246 19.000 -0.058 0.000 0.818 493 A HN 0.194 nan 8.150 nan 0.000 0.443 494 L N -0.701 120.490 121.223 -0.053 0.000 2.046 494 L HA -0.228 4.112 4.340 -0.001 0.000 0.208 494 L C 2.614 179.528 176.870 0.073 0.000 1.077 494 L CA 1.801 56.615 54.840 -0.045 0.000 0.747 494 L CB -0.400 41.571 42.059 -0.147 0.000 0.896 494 L HN 0.373 nan 8.230 nan 0.000 0.432 495 K N -0.192 120.237 120.400 0.048 0.000 2.057 495 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 495 K C 2.234 178.861 176.600 0.044 0.000 1.049 495 K CA 1.296 57.616 56.287 0.055 0.000 0.931 495 K CB -0.261 32.260 32.500 0.034 0.000 0.714 495 K HN 0.286 nan 8.250 nan 0.000 0.440 496 A N 1.169 124.002 122.820 0.022 0.000 1.877 496 A HA -0.196 4.123 4.320 -0.001 0.000 0.216 496 A C 2.437 180.027 177.584 0.011 0.000 1.186 496 A CA 1.572 53.610 52.037 0.002 0.000 0.620 496 A CB -1.030 17.959 19.000 -0.018 0.000 0.822 496 A HN 0.418 nan 8.150 nan 0.000 0.443 497 C N -0.963 118.363 119.300 0.044 0.000 2.429 497 C HA -0.129 4.330 4.460 -0.001 0.000 0.277 497 C C 2.865 177.901 174.990 0.075 0.000 1.262 497 C CA 1.251 60.306 59.018 0.063 0.000 1.733 497 C CB -1.331 26.499 27.740 0.149 0.000 2.010 497 C HN 0.794 nan 8.230 nan 0.000 0.483 498 Q N 0.308 120.182 119.800 0.123 0.000 2.096 498 Q HA -0.279 4.060 4.340 -0.001 0.000 0.204 498 Q C 2.173 178.235 176.000 0.105 0.000 0.982 498 Q CA 2.021 57.891 55.803 0.112 0.000 0.850 498 Q CB -0.276 28.539 28.738 0.129 0.000 0.901 498 Q HN 0.585 nan 8.270 nan 0.000 0.422 499 M N -0.100 119.539 119.600 0.065 0.000 2.080 499 M HA -0.137 4.342 4.480 -0.001 0.000 0.260 499 M C 1.854 178.171 176.300 0.027 0.000 1.068 499 M CA 1.560 56.889 55.300 0.049 0.000 1.109 499 M CB -0.467 32.143 32.600 0.015 0.000 1.342 499 M HN 0.135 nan 8.290 nan 0.000 0.405 500 V N 0.198 120.093 119.914 -0.032 0.000 2.358 500 V HA -0.298 3.822 4.120 -0.001 0.000 0.246 500 V C 2.418 178.475 176.094 -0.061 0.000 1.047 500 V CA 2.183 64.409 62.300 -0.124 0.000 1.035 500 V CB -0.701 31.026 31.823 -0.160 0.000 0.658 500 V HN 0.554 nan 8.190 nan 0.000 0.452 501 M N 0.298 119.912 119.600 0.024 0.000 2.080 501 M HA -0.266 4.213 4.480 -0.001 0.000 0.260 501 M C 2.373 178.728 176.300 0.092 0.000 1.068 501 M CA 2.443 57.793 55.300 0.084 0.000 1.109 501 M CB -0.497 32.238 32.600 0.225 0.000 1.342 501 M HN 0.544 nan 8.290 nan 0.000 0.405 502 Q N -0.216 119.719 119.800 0.224 0.000 2.123 502 Q HA -0.125 4.215 4.340 -0.001 0.000 0.199 502 Q C 1.818 178.004 176.000 0.311 0.000 0.966 502 Q CA 1.151 57.112 55.803 0.263 0.000 0.845 502 Q CB -0.616 28.380 28.738 0.431 0.000 0.907 502 Q HN 0.409 nan 8.270 nan 0.000 0.439 503 Q N 0.560 120.527 119.800 0.279 0.000 2.124 503 Q HA -0.061 4.278 4.340 -0.001 0.000 0.202 503 Q C 2.261 178.523 176.000 0.437 0.000 0.977 503 Q CA 1.711 57.755 55.803 0.400 0.000 0.850 503 Q CB -0.215 28.664 28.738 0.236 0.000 0.901 503 Q HN 0.513 nan 8.270 nan 0.000 0.429 504 S N 0.331 116.174 115.700 0.239 0.000 2.368 504 S HA -0.086 4.384 4.470 -0.001 0.000 0.224 504 S C 2.213 176.862 174.600 0.082 0.000 1.029 504 S CA 1.038 59.425 58.200 0.311 0.000 0.988 504 S CB -0.210 63.095 63.200 0.175 0.000 0.838 504 S HN 0.132 nan 8.310 nan 0.000 0.462 505 V N 0.852 120.681 119.914 -0.142 0.000 2.343 505 V HA -0.199 3.921 4.120 -0.001 0.000 0.247 505 V C 2.016 178.083 176.094 -0.045 0.000 1.051 505 V CA 1.904 63.992 62.300 -0.353 0.000 1.036 505 V CB -0.775 30.427 31.823 -1.035 0.000 0.654 505 V HN 0.583 nan 8.190 nan 0.000 0.451 506 Y N 1.198 121.557 120.300 0.099 0.000 2.224 506 Y HA -0.219 4.331 4.550 -0.001 0.000 0.289 506 Y C 2.695 178.663 175.900 0.114 0.000 1.146 506 Y CA 2.113 60.348 58.100 0.225 0.000 1.182 506 Y CB -0.269 38.240 38.460 0.080 0.000 0.983 506 Y HN 0.095 nan 8.280 nan 0.000 0.524 507 R N -0.166 120.230 120.500 -0.174 0.000 2.090 507 R HA -0.052 4.287 4.340 -0.001 0.000 0.228 507 R C 2.045 178.034 176.300 -0.518 0.000 1.110 507 R CA 1.365 57.023 56.100 -0.736 0.000 0.973 507 R CB -0.300 29.583 30.300 -0.696 0.000 0.869 507 R HN 0.444 nan 8.270 nan 0.000 0.440 508 L N 0.329 121.392 121.223 -0.266 0.000 2.291 508 L HA -0.047 4.293 4.340 -0.001 0.000 0.214 508 L C 1.372 178.118 176.870 -0.207 0.000 1.120 508 L CA 0.759 55.407 54.840 -0.319 0.000 0.799 508 L CB 0.150 41.853 42.059 -0.593 0.000 0.925 508 L HN 0.232 nan 8.230 nan 0.000 0.446 509 L N -1.401 119.786 121.223 -0.059 0.000 3.014 509 L HA 0.221 4.560 4.340 -0.001 0.000 0.263 509 L C -0.147 176.777 176.870 0.090 0.000 1.207 509 L CA -0.100 54.795 54.840 0.092 0.000 1.017 509 L CB 0.549 42.810 42.059 0.337 0.000 1.360 509 L HN -0.010 nan 8.230 nan 0.000 0.560 510 T N 0.139 114.660 114.554 -0.056 0.000 2.829 510 T HA 0.191 4.541 4.350 -0.001 0.000 0.280 510 T C -0.132 174.489 174.700 -0.133 0.000 0.999 510 T CA -0.560 61.499 62.100 -0.068 0.000 0.983 510 T CB 2.417 71.199 68.868 -0.142 0.000 0.968 510 T HN 0.010 nan 8.240 nan 0.000 0.446 511 K N 3.591 123.933 120.400 -0.098 0.000 2.511 511 K HA -0.012 4.307 4.320 -0.001 0.000 0.280 511 K C -1.723 174.846 176.600 -0.053 0.000 1.008 511 K CA -1.066 55.175 56.287 -0.077 0.000 1.050 511 K CB 0.428 32.890 32.500 -0.062 0.000 0.889 511 K HN 0.175 nan 8.250 nan 0.000 0.484 512 P HA -0.200 nan 4.420 nan 0.000 0.216 512 P C 0.768 178.084 177.300 0.026 0.000 1.153 512 P CA 1.508 64.584 63.100 -0.041 0.000 0.858 512 P CB 0.148 31.816 31.700 -0.053 0.000 0.789 513 S N -2.304 113.402 115.700 0.011 0.000 2.607 513 S HA 0.064 4.534 4.470 -0.001 0.000 0.224 513 S C 1.618 176.236 174.600 0.030 0.000 0.969 513 S CA 0.468 58.679 58.200 0.020 0.000 0.927 513 S CB -1.098 62.104 63.200 0.004 0.000 0.772 513 S HN 0.107 nan 8.310 nan 0.000 0.533 514 I N -0.906 119.691 120.570 0.045 0.000 3.616 514 I HA 0.220 4.389 4.170 -0.001 0.000 0.296 514 I C 0.528 176.708 176.117 0.105 0.000 1.226 514 I CA -0.439 60.896 61.300 0.059 0.000 1.394 514 I CB -0.021 38.008 38.000 0.049 0.000 1.171 514 I HN 0.252 nan 8.210 nan 0.000 0.442 515 Y N 2.877 123.149 120.300 -0.048 0.000 2.865 515 Y HA -0.053 4.496 4.550 -0.001 0.000 0.338 515 Y C 0.416 176.325 175.900 0.015 0.000 1.269 515 Y CA 0.122 58.178 58.100 -0.073 0.000 1.585 515 Y CB 0.381 38.723 38.460 -0.197 0.000 1.224 515 Y HN -0.111 nan 8.280 nan 0.000 0.554 516 S N 8.872 124.409 115.700 -0.271 0.000 2.312 516 S HA 0.348 4.818 4.470 -0.001 0.000 0.173 516 S C -2.871 171.521 174.600 -0.347 0.000 1.488 516 S CA -1.219 56.800 58.200 -0.300 0.000 1.239 516 S CB 0.031 63.165 63.200 -0.110 0.000 1.215 516 S HN 0.649 nan 8.310 nan 0.000 0.438 517 P HA 0.315 nan 4.420 nan 0.000 0.280 517 P C -1.159 175.848 177.300 -0.489 0.000 1.244 517 P CA -0.165 62.653 63.100 -0.471 0.000 0.784 517 P CB 0.866 32.225 31.700 -0.568 0.000 0.913 518 D N 2.487 122.782 120.400 -0.176 0.000 2.414 518 D HA 0.157 4.796 4.640 -0.001 0.000 0.232 518 D C 0.275 176.576 176.300 0.002 0.000 1.070 518 D CA -0.720 53.176 54.000 -0.173 0.000 0.839 518 D CB 0.228 40.957 40.800 -0.119 0.000 1.079 518 D HN 0.045 nan 8.370 nan 0.000 0.521 519 F N 1.662 121.710 119.950 0.163 0.000 2.641 519 F HA -0.050 4.476 4.527 -0.001 0.000 0.298 519 F C 2.388 178.253 175.800 0.108 0.000 1.146 519 F CA 0.554 58.653 58.000 0.164 0.000 1.464 519 F CB -0.420 38.661 39.000 0.136 0.000 1.101 519 F HN 0.365 nan 8.300 nan 0.000 0.585 520 S N -1.884 113.947 115.700 0.219 0.000 2.524 520 S HA 0.128 4.597 4.470 -0.001 0.000 0.215 520 S C 0.299 174.937 174.600 0.064 0.000 0.986 520 S CA -0.429 57.845 58.200 0.123 0.000 0.911 520 S CB -0.632 62.621 63.200 0.088 0.000 0.805 520 S HN 0.101 nan 8.310 nan 0.000 0.501 521 F N 2.792 122.667 119.950 -0.126 0.000 2.375 521 F HA 0.594 5.120 4.527 -0.001 0.000 0.333 521 F C 0.010 175.582 175.800 -0.380 0.000 1.104 521 F CA -0.623 57.175 58.000 -0.337 0.000 1.149 521 F CB 1.578 40.217 39.000 -0.601 0.000 1.190 521 F HN -0.057 nan 8.300 nan 0.000 0.533 522 S N 5.756 120.731 115.700 -1.209 0.000 2.592 522 S HA 0.153 4.622 4.470 -0.001 0.000 0.305 522 S C 0.393 174.418 174.600 -0.960 0.000 1.118 522 S CA -0.330 57.399 58.200 -0.785 0.000 1.075 522 S CB -0.252 62.609 63.200 -0.565 0.000 1.107 522 S HN 0.676 nan 8.310 nan 0.000 0.503 523 Y N 1.610 121.704 120.300 -0.343 0.000 2.314 523 Y HA 0.126 4.676 4.550 -0.001 0.000 0.293 523 Y C 0.339 175.727 175.900 -0.853 0.000 1.129 523 Y CA 0.779 58.563 58.100 -0.526 0.000 1.201 523 Y CB 0.159 38.365 38.460 -0.422 0.000 0.999 523 Y HN 0.487 nan 8.280 nan 0.000 0.541 524 F N -1.406 118.519 119.950 -0.041 0.000 2.599 524 F HA 0.430 4.957 4.527 -0.001 0.000 0.311 524 F C -0.152 175.690 175.800 0.069 0.000 1.076 524 F CA -1.493 56.544 58.000 0.061 0.000 0.937 524 F CB 1.660 40.830 39.000 0.284 0.000 1.282 524 F HN -0.411 nan 8.300 nan 0.000 0.460 525 T N 0.259 114.980 114.554 0.278 0.000 2.855 525 T HA 0.710 5.059 4.350 -0.001 0.000 0.281 525 T C -0.637 174.173 174.700 0.183 0.000 1.007 525 T CA -0.811 61.391 62.100 0.169 0.000 1.009 525 T CB 1.206 70.120 68.868 0.076 0.000 0.983 525 T HN 0.521 nan 8.240 nan 0.000 0.455 526 L N 2.048 123.305 121.223 0.057 0.000 2.417 526 L HA 0.426 4.766 4.340 -0.001 0.000 0.268 526 L C 0.077 176.927 176.870 -0.032 0.000 1.158 526 L CA -0.313 54.453 54.840 -0.124 0.000 0.819 526 L CB 0.754 42.693 42.059 -0.200 0.000 1.112 526 L HN 0.817 nan 8.230 nan 0.000 0.458 527 D N 1.484 121.841 120.400 -0.071 0.000 2.481 527 D HA 0.212 4.851 4.640 -0.001 0.000 0.246 527 D C -1.258 174.962 176.300 -0.132 0.000 1.109 527 D CA -0.390 53.573 54.000 -0.061 0.000 0.845 527 D CB 1.143 41.938 40.800 -0.008 0.000 1.160 527 D HN 0.284 nan 8.370 nan 0.000 0.534 528 D N 2.402 122.753 120.400 -0.083 0.000 2.481 528 D HA 0.193 4.832 4.640 -0.001 0.000 0.246 528 D C 0.076 176.320 176.300 -0.094 0.000 1.109 528 D CA -0.471 53.504 54.000 -0.042 0.000 0.845 528 D CB 1.874 42.760 40.800 0.142 0.000 1.160 528 D HN 0.251 nan 8.370 nan 0.000 0.534 529 S N 2.712 118.325 115.700 -0.145 0.000 2.522 529 S HA 0.027 4.497 4.470 -0.001 0.000 0.227 529 S C 1.338 175.891 174.600 -0.079 0.000 0.986 529 S CA 0.511 58.615 58.200 -0.159 0.000 0.929 529 S CB 0.367 63.460 63.200 -0.178 0.000 0.769 529 S HN 0.494 nan 8.310 nan 0.000 0.529 530 R N -0.512 119.976 120.500 -0.019 0.000 2.535 530 R HA 0.222 4.562 4.340 -0.001 0.000 0.323 530 R C -0.725 175.639 176.300 0.108 0.000 0.979 530 R CA -0.110 56.002 56.100 0.021 0.000 1.120 530 R CB 0.790 31.102 30.300 0.020 0.000 1.306 530 R HN 0.342 nan 8.270 nan 0.000 0.540 531 W N 1.329 122.582 121.300 -0.079 0.000 3.405 531 W HA 0.289 4.949 4.660 -0.001 0.000 0.329 531 W C -2.944 173.534 176.519 -0.068 0.000 1.142 531 W CA -1.922 55.363 57.345 -0.099 0.000 1.235 531 W CB 1.806 31.187 29.460 -0.131 0.000 1.341 531 W HN -0.190 nan 8.180 nan 0.000 0.481 532 P HA 0.097 nan 4.420 nan 0.000 0.226 532 P C 0.362 177.267 177.300 -0.658 0.000 1.153 532 P CA 1.747 63.940 63.100 -1.513 0.000 0.777 532 P CB 0.307 31.382 31.700 -1.042 0.000 0.794 533 G N -1.072 107.526 108.800 -0.337 0.000 2.617 533 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.686 533 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.686 533 G C -0.466 174.369 174.900 -0.108 0.000 1.214 533 G CA -0.516 44.484 45.100 -0.166 0.000 0.796 533 G HN 0.082 nan 8.290 nan 0.000 0.654 534 S N 0.186 115.865 115.700 -0.035 0.000 2.537 534 S HA 0.521 4.990 4.470 -0.001 0.000 0.286 534 S C 1.824 176.423 174.600 -0.001 0.000 1.299 534 S CA 2.009 60.223 58.200 0.023 0.000 1.067 534 S CB 0.248 63.500 63.200 0.086 0.000 0.864 534 S HN 2.700 nan 8.310 nan 0.000 0.494 535 G N 2.810 111.610 108.800 0.000 0.000 2.199 535 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.254 535 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.254 535 G C 0.582 175.456 174.900 -0.044 0.000 0.982 535 G CA 0.337 45.428 45.100 -0.016 0.000 0.632 535 G HN 0.876 nan 8.290 nan 0.000 0.529 536 V N -0.463 119.407 119.914 -0.074 0.000 2.743 536 V HA 0.459 4.578 4.120 -0.001 0.000 0.237 536 V C 0.792 176.821 176.094 -0.108 0.000 1.113 536 V CA 1.681 63.918 62.300 -0.104 0.000 1.141 536 V CB 0.972 32.694 31.823 -0.169 0.000 0.873 536 V HN 0.457 nan 8.190 nan 0.000 0.486 537 E N 0.032 120.160 120.200 -0.120 0.000 2.321 537 E HA 0.211 4.561 4.350 -0.001 0.000 0.278 537 E C -1.823 174.744 176.600 -0.054 0.000 0.902 537 E CA -0.538 55.805 56.400 -0.095 0.000 0.758 537 E CB 1.954 31.568 29.700 -0.142 0.000 1.213 537 E HN 0.148 nan 8.360 nan 0.000 0.426 538 D N 2.301 122.692 120.400 -0.016 0.000 2.468 538 D HA 0.115 4.754 4.640 -0.001 0.000 0.218 538 D C 0.303 176.612 176.300 0.015 0.000 1.155 538 D CA 0.183 54.197 54.000 0.023 0.000 0.924 538 D CB 0.675 41.494 40.800 0.033 0.000 1.029 538 D HN 0.398 nan 8.370 nan 0.000 0.515 539 S N 2.488 118.191 115.700 0.005 0.000 2.549 539 S HA 0.203 4.672 4.470 -0.001 0.000 0.225 539 S C 0.899 175.509 174.600 0.017 0.000 1.039 539 S CA -0.438 57.761 58.200 -0.001 0.000 0.942 539 S CB 0.597 63.776 63.200 -0.034 0.000 0.881 539 S HN 0.212 nan 8.310 nan 0.000 0.503 540 R N 2.732 123.246 120.500 0.023 0.000 2.539 540 R HA 0.419 4.759 4.340 -0.001 0.000 0.275 540 R C 0.132 176.488 176.300 0.092 0.000 1.077 540 R CA 0.328 56.432 56.100 0.007 0.000 1.097 540 R CB 0.585 30.790 30.300 -0.158 0.000 1.018 540 R HN 0.467 nan 8.270 nan 0.000 0.483 541 T N -1.013 113.595 114.554 0.090 0.000 2.882 541 T HA 0.229 4.579 4.350 -0.001 0.000 0.287 541 T C 0.208 175.024 174.700 0.194 0.000 0.992 541 T CA -0.792 61.382 62.100 0.124 0.000 1.076 541 T CB 1.508 70.433 68.868 0.096 0.000 0.961 541 T HN 0.355 nan 8.240 nan 0.000 0.490 542 T N 3.630 118.303 114.554 0.197 0.000 2.856 542 T HA 0.385 4.735 4.350 -0.001 0.000 0.292 542 T C 0.461 175.271 174.700 0.183 0.000 0.980 542 T CA -0.506 61.731 62.100 0.228 0.000 1.091 542 T CB 0.206 69.166 68.868 0.153 0.000 0.936 542 T HN 0.575 nan 8.240 nan 0.000 0.503 543 I N 3.916 124.612 120.570 0.211 0.000 2.363 543 I HA 0.214 4.384 4.170 -0.001 0.000 0.292 543 I C 0.146 176.352 176.117 0.148 0.000 1.075 543 I CA -0.102 61.301 61.300 0.172 0.000 1.333 543 I CB 0.269 38.373 38.000 0.174 0.000 1.415 543 I HN 0.450 nan 8.210 nan 0.000 0.502 544 I N 8.068 128.710 120.570 0.121 0.000 2.297 544 I HA 0.313 4.482 4.170 -0.001 0.000 0.291 544 I C -0.171 176.008 176.117 0.104 0.000 1.033 544 I CA -0.171 61.192 61.300 0.104 0.000 1.253 544 I CB 0.475 38.524 38.000 0.082 0.000 1.396 544 I HN 0.383 nan 8.210 nan 0.000 0.476 545 L N 5.763 127.052 121.223 0.109 0.000 2.319 545 L HA 0.958 5.297 4.340 -0.001 0.000 0.267 545 L C 0.125 177.054 176.870 0.097 0.000 1.011 545 L CA -0.716 54.188 54.840 0.106 0.000 0.818 545 L CB 2.199 44.328 42.059 0.115 0.000 1.316 545 L HN 0.693 nan 8.230 nan 0.000 0.432 546 G N 0.008 108.862 108.800 0.090 0.000 2.429 546 G HA2 0.105 4.065 3.960 -0.001 0.000 0.300 546 G HA3 0.105 4.065 3.960 -0.001 0.000 0.300 546 G C -0.211 174.732 174.900 0.072 0.000 1.598 546 G CA -0.441 44.708 45.100 0.082 0.000 0.863 546 G HN 0.712 nan 8.290 nan 0.000 0.614 547 E N 0.048 120.288 120.200 0.067 0.000 2.160 547 E HA -0.144 4.205 4.350 -0.001 0.000 0.195 547 E C 0.739 177.368 176.600 0.048 0.000 0.991 547 E CA 1.466 57.899 56.400 0.055 0.000 0.810 547 E CB 0.141 29.870 29.700 0.048 0.000 0.742 547 E HN 0.436 nan 8.360 nan 0.000 0.466 548 D N -0.418 120.011 120.400 0.047 0.000 2.358 548 D HA 0.075 4.714 4.640 -0.001 0.000 0.224 548 D C 0.949 177.275 176.300 0.043 0.000 1.123 548 D CA 0.142 54.167 54.000 0.041 0.000 0.833 548 D CB 0.902 41.724 40.800 0.036 0.000 0.946 548 D HN 0.273 nan 8.370 nan 0.000 0.505 549 I N -0.894 119.707 120.570 0.051 0.000 4.420 549 I HA 0.177 4.347 4.170 -0.001 0.000 0.292 549 I C -1.510 174.645 176.117 0.063 0.000 1.153 549 I CA 0.145 61.477 61.300 0.053 0.000 1.315 549 I CB 1.205 39.237 38.000 0.054 0.000 1.616 549 I HN -0.158 nan 8.210 nan 0.000 0.450 550 L N 2.071 123.337 121.223 0.072 0.000 2.795 550 L HA 0.519 4.859 4.340 -0.001 0.000 0.260 550 L C -2.496 174.428 176.870 0.090 0.000 0.935 550 L CA -0.832 54.059 54.840 0.085 0.000 0.985 550 L CB 1.772 43.888 42.059 0.096 0.000 1.433 550 L HN -0.109 nan 8.230 nan 0.000 0.447 551 P HA 0.071 nan 4.420 nan 0.000 0.224 551 P C -0.148 177.209 177.300 0.096 0.000 1.157 551 P CA 0.775 63.926 63.100 0.085 0.000 0.799 551 P CB 0.479 32.222 31.700 0.072 0.000 0.809 552 S N -1.957 113.812 115.700 0.115 0.000 2.625 552 S HA 0.717 5.187 4.470 -0.001 0.000 0.271 552 S C -1.312 173.396 174.600 0.181 0.000 1.161 552 S CA -0.706 57.571 58.200 0.128 0.000 0.820 552 S CB 2.503 65.772 63.200 0.114 0.000 1.137 552 S HN -0.114 nan 8.310 nan 0.000 0.470 553 K N 0.589 121.104 120.400 0.192 0.000 2.535 553 K HA 0.569 4.888 4.320 -0.001 0.000 0.251 553 K C -2.033 174.747 176.600 0.299 0.000 0.942 553 K CA -0.237 56.210 56.287 0.267 0.000 0.798 553 K CB 0.922 33.536 32.500 0.190 0.000 1.267 553 K HN 0.843 nan 8.250 nan 0.000 0.434 554 H N 0.904 120.124 119.070 0.250 0.000 2.610 554 H HA 0.460 5.016 4.556 -0.001 0.000 0.336 554 H C -0.207 175.352 175.328 0.385 0.000 1.087 554 H CA -0.216 56.023 56.048 0.319 0.000 1.405 554 H CB 1.058 31.092 29.762 0.454 0.000 1.460 554 H HN 0.397 nan 8.280 nan 0.000 0.538 555 V N 0.909 121.075 119.914 0.421 0.000 2.914 555 V HA 0.784 4.903 4.120 -0.001 0.000 0.314 555 V C -0.710 175.710 176.094 0.544 0.000 1.084 555 V CA -0.866 61.676 62.300 0.403 0.000 0.963 555 V CB 2.080 33.884 31.823 -0.033 0.000 1.025 555 V HN 0.461 nan 8.190 nan 0.000 0.432 556 V N 3.985 124.239 119.914 0.566 0.000 2.709 556 V HA 0.642 4.762 4.120 -0.001 0.000 0.308 556 V C -0.461 175.967 176.094 0.556 0.000 1.062 556 V CA -0.384 62.208 62.300 0.488 0.000 0.901 556 V CB 1.857 33.813 31.823 0.221 0.000 1.003 556 V HN 0.945 nan 8.190 nan 0.000 0.425 557 M N 3.995 123.895 119.600 0.499 0.000 2.364 557 M HA 0.493 4.972 4.480 -0.001 0.000 0.334 557 M C -0.519 176.030 176.300 0.415 0.000 1.107 557 M CA -0.282 55.285 55.300 0.445 0.000 0.988 557 M CB 1.234 34.045 32.600 0.351 0.000 1.673 557 M HN 0.758 nan 8.290 nan 0.000 0.441 558 H N 1.961 121.226 119.070 0.325 0.000 2.469 558 H HA 0.485 5.040 4.556 -0.001 0.000 0.342 558 H C -1.338 174.102 175.328 0.186 0.000 1.115 558 H CA -0.576 55.628 56.048 0.260 0.000 1.204 558 H CB 1.192 31.165 29.762 0.351 0.000 1.492 558 H HN 0.654 nan 8.280 nan 0.000 0.499 559 N N 3.108 121.575 118.700 -0.388 0.000 2.569 559 N HA 0.038 4.777 4.740 -0.001 0.000 0.254 559 N C 0.327 175.505 175.510 -0.552 0.000 1.004 559 N CA -0.304 52.526 53.050 -0.366 0.000 0.904 559 N CB 1.570 39.948 38.487 -0.182 0.000 1.165 559 N HN 0.633 nan 8.380 nan 0.000 0.513 560 T N 2.890 117.162 114.554 -0.470 0.000 3.035 560 T HA 0.157 4.506 4.350 -0.001 0.000 0.268 560 T C 0.701 175.366 174.700 -0.058 0.000 1.109 560 T CA 0.490 62.482 62.100 -0.179 0.000 1.119 560 T CB -0.247 68.660 68.868 0.065 0.000 0.900 560 T HN 0.421 nan 8.240 nan 0.000 0.503 561 L N 2.799 123.937 121.223 -0.142 0.000 2.417 561 L HA 0.298 4.638 4.340 -0.001 0.000 0.268 561 L C -1.588 175.147 176.870 -0.226 0.000 1.158 561 L CA -1.846 52.876 54.840 -0.197 0.000 0.819 561 L CB 0.565 42.376 42.059 -0.413 0.000 1.112 561 L HN -0.034 nan 8.230 nan 0.000 0.458 562 P HA 0.051 nan 4.420 nan 0.000 0.235 562 P C -0.968 176.352 177.300 0.034 0.000 1.725 562 P CA 0.315 63.408 63.100 -0.012 0.000 0.894 562 P CB -0.343 31.405 31.700 0.080 0.000 1.704 563 H N -3.180 115.905 119.070 0.026 0.000 3.012 563 H HA 0.239 4.794 4.556 -0.001 0.000 0.367 563 H C -1.041 174.308 175.328 0.035 0.000 1.211 563 H CA -1.059 55.024 56.048 0.058 0.000 1.139 563 H CB -0.015 29.809 29.762 0.103 0.000 1.838 563 H HN -0.127 nan 8.280 nan 0.000 0.550 564 W N 1.759 123.170 121.300 0.184 0.000 2.257 564 W HA 0.234 4.893 4.660 -0.001 0.000 0.337 564 W C 0.896 177.521 176.519 0.175 0.000 1.321 564 W CA 0.465 57.885 57.345 0.124 0.000 1.267 564 W CB 0.458 29.980 29.460 0.103 0.000 1.187 564 W HN 0.521 nan 8.180 nan 0.000 0.565 565 R N 2.241 122.942 120.500 0.335 0.000 2.604 565 R HA 0.302 4.642 4.340 -0.001 0.000 0.281 565 R C -1.096 175.338 176.300 0.223 0.000 1.020 565 R CA -0.671 55.583 56.100 0.256 0.000 0.899 565 R CB 1.441 31.814 30.300 0.122 0.000 1.205 565 R HN 0.501 nan 8.270 nan 0.000 0.450 566 E N 2.345 122.653 120.200 0.181 0.000 2.191 566 E HA 0.262 4.612 4.350 -0.001 0.000 0.274 566 E C -1.262 175.386 176.600 0.080 0.000 0.948 566 E CA -0.780 55.703 56.400 0.138 0.000 0.802 566 E CB 2.387 32.162 29.700 0.125 0.000 1.137 566 E HN 0.396 nan 8.360 nan 0.000 0.397 567 Q N 2.914 122.738 119.800 0.040 0.000 2.386 567 Q HA 0.264 4.603 4.340 -0.001 0.000 0.274 567 Q C -1.543 174.416 176.000 -0.068 0.000 1.011 567 Q CA -0.600 55.197 55.803 -0.010 0.000 0.867 567 Q CB 1.455 30.178 28.738 -0.025 0.000 1.409 567 Q HN 0.546 nan 8.270 nan 0.000 0.395 568 L N 3.128 124.306 121.223 -0.076 0.000 2.426 568 L HA 0.411 4.750 4.340 -0.001 0.000 0.271 568 L C 0.181 176.914 176.870 -0.227 0.000 1.169 568 L CA -0.420 54.337 54.840 -0.138 0.000 0.836 568 L CB 0.734 42.747 42.059 -0.075 0.000 1.112 568 L HN 0.480 nan 8.230 nan 0.000 0.465 569 V N -0.732 118.943 119.914 -0.400 0.000 2.914 569 V HA 0.759 4.879 4.120 -0.001 0.000 0.314 569 V C -1.100 174.717 176.094 -0.461 0.000 1.084 569 V CA -0.906 61.113 62.300 -0.469 0.000 0.963 569 V CB 2.102 33.589 31.823 -0.560 0.000 1.025 569 V HN 0.819 nan 8.190 nan 0.000 0.432 570 D N 1.207 121.330 120.400 -0.461 0.000 2.671 570 D HA 0.756 5.395 4.640 -0.001 0.000 0.232 570 D C -1.180 174.810 176.300 -0.516 0.000 1.114 570 D CA -0.473 53.365 54.000 -0.269 0.000 0.858 570 D CB 2.052 42.788 40.800 -0.106 0.000 1.544 570 D HN 0.433 nan 8.370 nan 0.000 0.471 571 F N -0.110 119.883 119.950 0.071 0.000 2.599 571 F HA 0.413 4.939 4.527 -0.001 0.000 0.311 571 F C -0.741 175.194 175.800 0.225 0.000 1.076 571 F CA -1.078 56.974 58.000 0.086 0.000 0.937 571 F CB 1.574 40.677 39.000 0.171 0.000 1.282 571 F HN 0.188 nan 8.300 nan 0.000 0.460 572 Y N 2.037 122.493 120.300 0.261 0.000 2.304 572 Y HA 0.569 5.118 4.550 -0.001 0.000 0.328 572 Y C 0.181 176.204 175.900 0.204 0.000 1.123 572 Y CA -1.486 56.717 58.100 0.173 0.000 1.218 572 Y CB 0.944 39.460 38.460 0.093 0.000 1.207 572 Y HN 0.343 nan 8.280 nan 0.000 0.495 573 V N -0.443 119.674 119.914 0.338 0.000 3.040 573 V HA 0.577 4.697 4.120 -0.001 0.000 0.312 573 V C 0.344 176.576 176.094 0.230 0.000 1.115 573 V CA -0.743 61.716 62.300 0.265 0.000 0.998 573 V CB 1.728 33.708 31.823 0.260 0.000 1.042 573 V HN 0.675 nan 8.190 nan 0.000 0.433 574 S N 0.221 116.036 115.700 0.192 0.000 2.593 574 S HA 0.275 4.744 4.470 -0.001 0.000 0.217 574 S C 0.647 175.387 174.600 0.233 0.000 0.966 574 S CA 0.466 58.768 58.200 0.169 0.000 0.914 574 S CB -0.261 63.008 63.200 0.116 0.000 0.776 574 S HN 1.493 nan 8.310 nan 0.000 0.523 575 S N 1.223 117.064 115.700 0.235 0.000 2.541 575 S HA 0.572 5.042 4.470 -0.001 0.000 0.271 575 S C -2.631 171.885 174.600 -0.139 0.000 1.133 575 S CA -1.321 56.907 58.200 0.047 0.000 0.876 575 S CB 1.984 65.213 63.200 0.048 0.000 1.105 575 S HN 0.022 nan 8.310 nan 0.000 0.470 576 P HA 0.188 nan 4.420 nan 0.000 0.240 576 P C -0.071 177.078 177.300 -0.252 0.000 1.190 576 P CA 0.317 63.040 63.100 -0.628 0.000 0.781 576 P CB -0.166 30.850 31.700 -1.139 0.000 0.931 577 F N 0.869 120.835 119.950 0.027 0.000 2.509 577 F HA 0.274 4.801 4.527 -0.001 0.000 0.344 577 F C 0.329 176.176 175.800 0.078 0.000 1.197 577 F CA -0.835 57.209 58.000 0.073 0.000 1.294 577 F CB 0.433 39.442 39.000 0.015 0.000 1.643 577 F HN -0.340 nan 8.300 nan 0.000 0.596 578 V N 1.074 121.123 119.914 0.225 0.000 2.709 578 V HA 0.538 4.657 4.120 -0.001 0.000 0.308 578 V C -0.365 175.798 176.094 0.115 0.000 1.062 578 V CA -0.764 61.627 62.300 0.152 0.000 0.901 578 V CB 2.313 34.219 31.823 0.138 0.000 1.003 578 V HN 0.516 nan 8.190 nan 0.000 0.425 579 S N 2.826 118.573 115.700 0.079 0.000 2.634 579 S HA 0.896 5.365 4.470 -0.001 0.000 0.296 579 S C -0.921 173.662 174.600 -0.028 0.000 1.104 579 S CA -0.870 57.356 58.200 0.042 0.000 0.920 579 S CB 2.132 65.375 63.200 0.071 0.000 1.111 579 S HN 0.429 nan 8.310 nan 0.000 0.493 580 V N 1.692 121.549 119.914 -0.094 0.000 2.628 580 V HA 0.824 4.943 4.120 -0.001 0.000 0.306 580 V C 0.021 176.021 176.094 -0.156 0.000 1.045 580 V CA -0.467 61.698 62.300 -0.225 0.000 0.905 580 V CB 1.635 33.130 31.823 -0.546 0.000 0.997 580 V HN 1.210 nan 8.190 nan 0.000 0.436 581 T N -0.543 113.939 114.554 -0.119 0.000 2.896 581 T HA 0.651 5.000 4.350 -0.001 0.000 0.297 581 T C -0.919 173.763 174.700 -0.031 0.000 1.108 581 T CA -0.912 61.143 62.100 -0.075 0.000 1.004 581 T CB 2.091 70.906 68.868 -0.087 0.000 1.159 581 T HN 0.715 nan 8.240 nan 0.000 0.499 582 D N 0.681 121.036 120.400 -0.075 0.000 2.466 582 D HA 0.246 4.885 4.640 -0.001 0.000 0.262 582 D C 1.036 177.198 176.300 -0.231 0.000 1.177 582 D CA -1.190 52.654 54.000 -0.260 0.000 1.035 582 D CB 0.351 40.998 40.800 -0.255 0.000 1.105 582 D HN 0.306 nan 8.370 nan 0.000 0.551 583 L N -0.287 120.780 121.223 -0.259 0.000 2.465 583 L HA 0.176 4.516 4.340 -0.001 0.000 0.224 583 L C 1.979 178.769 176.870 -0.133 0.000 1.145 583 L CA 1.070 55.798 54.840 -0.186 0.000 0.834 583 L CB -1.006 40.949 42.059 -0.173 0.000 0.944 583 L HN 0.650 nan 8.230 nan 0.000 0.451 584 A N -1.272 121.475 122.820 -0.122 0.000 2.259 584 A HA 0.049 4.368 4.320 -0.001 0.000 0.208 584 A C 1.129 178.665 177.584 -0.080 0.000 1.201 584 A CA 0.283 52.267 52.037 -0.089 0.000 0.824 584 A CB -0.512 18.442 19.000 -0.077 0.000 0.838 584 A HN 0.532 nan 8.150 nan 0.000 0.485 585 N N -0.152 118.493 118.700 -0.091 0.000 2.782 585 N HA -0.128 4.612 4.740 -0.001 0.000 0.251 585 N C -1.052 174.412 175.510 -0.076 0.000 1.101 585 N CA 0.657 53.661 53.050 -0.078 0.000 0.764 585 N CB -1.365 37.087 38.487 -0.058 0.000 1.122 585 N HN 0.599 nan 8.380 nan 0.000 0.561 586 N N 1.436 120.087 118.700 -0.081 0.000 2.497 586 N HA 0.273 5.013 4.740 -0.001 0.000 0.271 586 N C -2.390 173.052 175.510 -0.114 0.000 1.142 586 N CA -0.707 52.291 53.050 -0.086 0.000 0.965 586 N CB 0.685 39.132 38.487 -0.067 0.000 1.077 586 N HN 0.140 nan 8.380 nan 0.000 0.462 587 P HA 0.090 nan 4.420 nan 0.000 0.269 587 P C -0.482 176.684 177.300 -0.223 0.000 1.209 587 P CA -0.113 62.807 63.100 -0.300 0.000 0.776 587 P CB 0.758 31.999 31.700 -0.764 0.000 0.876 588 V N 2.039 121.863 119.914 -0.150 0.000 2.531 588 V HA 0.217 4.337 4.120 -0.001 0.000 0.301 588 V C 0.285 176.368 176.094 -0.019 0.000 1.034 588 V CA -0.804 61.465 62.300 -0.051 0.000 0.865 588 V CB 1.512 33.315 31.823 -0.032 0.000 0.995 588 V HN 0.538 nan 8.190 nan 0.000 0.424 589 E N 2.899 123.129 120.200 0.051 0.000 2.414 589 E HA 0.475 4.824 4.350 -0.001 0.000 0.263 589 E C -0.239 176.427 176.600 0.111 0.000 1.000 589 E CA 0.102 56.565 56.400 0.104 0.000 0.914 589 E CB 0.913 30.679 29.700 0.111 0.000 0.948 589 E HN 0.886 nan 8.360 nan 0.000 0.444 590 A N 4.226 127.101 122.820 0.092 0.000 2.527 590 A HA 0.419 4.739 4.320 -0.001 0.000 0.293 590 A C -1.313 176.290 177.584 0.032 0.000 1.117 590 A CA -0.708 51.393 52.037 0.107 0.000 0.723 590 A CB 1.955 21.011 19.000 0.092 0.000 1.313 590 A HN 0.663 nan 8.150 nan 0.000 0.411 591 Q N 0.825 120.653 119.800 0.046 0.000 2.356 591 Q HA 0.654 4.994 4.340 -0.001 0.000 0.270 591 Q C -2.004 173.997 176.000 0.002 0.000 1.058 591 Q CA -0.548 55.243 55.803 -0.021 0.000 0.802 591 Q CB 2.163 30.925 28.738 0.040 0.000 1.303 591 Q HN 0.577 nan 8.270 nan 0.000 0.444 592 V N 2.621 122.473 119.914 -0.104 0.000 2.513 592 V HA 0.593 4.712 4.120 -0.001 0.000 0.299 592 V C -0.568 175.710 176.094 0.306 0.000 1.035 592 V CA -0.313 62.039 62.300 0.087 0.000 0.889 592 V CB 1.868 33.715 31.823 0.040 0.000 0.988 592 V HN 0.856 nan 8.190 nan 0.000 0.440 593 S N 5.033 120.945 115.700 0.354 0.000 2.632 593 S HA 0.697 5.167 4.470 -0.001 0.000 0.289 593 S C -2.790 171.891 174.600 0.135 0.000 1.115 593 S CA -1.162 57.232 58.200 0.323 0.000 0.889 593 S CB 2.466 65.803 63.200 0.227 0.000 1.116 593 S HN 0.533 nan 8.310 nan 0.000 0.486 594 P HA 0.304 nan 4.420 nan 0.000 0.274 594 P C -1.185 175.802 177.300 -0.521 0.000 1.256 594 P CA -0.542 62.195 63.100 -0.604 0.000 0.795 594 P CB 0.401 31.342 31.700 -1.266 0.000 1.038 595 V N 1.397 120.931 119.914 -0.634 0.000 2.350 595 V HA 0.223 4.342 4.120 -0.001 0.000 0.276 595 V C -0.635 175.164 176.094 -0.492 0.000 1.028 595 V CA -0.195 61.828 62.300 -0.462 0.000 0.860 595 V CB -0.170 31.299 31.823 -0.589 0.000 0.990 595 V HN 0.517 nan 8.190 nan 0.000 0.453 596 W N 3.448 124.665 121.300 -0.138 0.000 2.478 596 W HA 0.637 5.297 4.660 -0.001 0.000 0.318 596 W C 0.315 176.753 176.519 -0.135 0.000 1.062 596 W CA -0.455 56.788 57.345 -0.169 0.000 1.210 596 W CB 1.932 31.296 29.460 -0.159 0.000 1.325 596 W HN 0.569 nan 8.180 nan 0.000 0.496 597 S N 1.487 117.216 115.700 0.048 0.000 2.521 597 S HA 0.572 5.042 4.470 -0.001 0.000 0.295 597 S C -1.385 173.004 174.600 -0.352 0.000 1.098 597 S CA -0.941 57.218 58.200 -0.070 0.000 0.999 597 S CB 1.050 64.204 63.200 -0.077 0.000 1.034 597 S HN 0.415 nan 8.310 nan 0.000 0.483 598 W N 1.359 122.426 121.300 -0.389 0.000 2.417 598 W HA 0.545 5.204 4.660 -0.001 0.000 0.317 598 W C 0.189 176.301 176.519 -0.678 0.000 1.121 598 W CA -0.111 56.995 57.345 -0.399 0.000 1.208 598 W CB 0.852 30.191 29.460 -0.201 0.000 1.253 598 W HN 0.755 nan 8.180 nan 0.000 0.533 599 H N 0.400 119.496 119.070 0.044 0.000 2.600 599 H HA 0.171 4.726 4.556 -0.001 0.000 0.357 599 H C -0.898 174.441 175.328 0.018 0.000 1.106 599 H CA -1.072 54.955 56.048 -0.035 0.000 1.193 599 H CB 1.543 31.188 29.762 -0.195 0.000 1.594 599 H HN 0.313 nan 8.280 nan 0.000 0.526 600 H N 2.258 121.391 119.070 0.106 0.000 2.761 600 H HA 0.083 4.639 4.556 -0.001 0.000 0.284 600 H C -0.671 174.708 175.328 0.085 0.000 1.105 600 H CA -0.803 55.296 56.048 0.085 0.000 1.352 600 H CB 0.204 30.004 29.762 0.063 0.000 1.423 600 H HN 0.534 nan 8.280 nan 0.000 0.464 601 D N 3.808 124.129 120.400 -0.133 0.000 2.359 601 D HA -0.039 4.600 4.640 -0.001 0.000 0.250 601 D C 1.020 177.112 176.300 -0.347 0.000 1.264 601 D CA 0.213 54.139 54.000 -0.123 0.000 0.911 601 D CB 0.604 41.521 40.800 0.196 0.000 1.056 601 D HN 0.788 nan 8.370 nan 0.000 0.499 602 T N 1.231 115.561 114.554 -0.374 0.000 3.051 602 T HA -0.097 4.252 4.350 -0.001 0.000 0.269 602 T C 1.728 176.361 174.700 -0.113 0.000 1.127 602 T CA 0.213 62.140 62.100 -0.287 0.000 1.107 602 T CB 0.170 68.940 68.868 -0.163 0.000 0.898 602 T HN 0.231 nan 8.240 nan 0.000 0.517 603 L N 2.163 123.343 121.223 -0.072 0.000 2.130 603 L HA 0.143 4.483 4.340 -0.001 0.000 0.200 603 L C 2.961 179.825 176.870 -0.009 0.000 1.075 603 L CA 2.080 56.903 54.840 -0.029 0.000 0.768 603 L CB -1.710 40.338 42.059 -0.019 0.000 0.933 603 L HN 0.557 nan 8.230 nan 0.000 0.451 604 T N -3.882 110.676 114.554 0.006 0.000 3.113 604 T HA -0.007 4.343 4.350 -0.001 0.000 0.256 604 T C 0.737 175.464 174.700 0.045 0.000 1.131 604 T CA -0.142 61.969 62.100 0.020 0.000 1.074 604 T CB 0.072 68.949 68.868 0.014 0.000 0.944 604 T HN 0.103 nan 8.240 nan 0.000 0.516 605 K N 1.922 122.349 120.400 0.045 0.000 3.125 605 K HA -0.123 4.196 4.320 -0.001 0.000 0.268 605 K C 0.107 176.818 176.600 0.184 0.000 1.078 605 K CA 1.259 57.615 56.287 0.116 0.000 0.775 605 K CB -2.896 29.664 32.500 0.100 0.000 1.253 605 K HN 0.880 nan 8.250 nan 0.000 0.486 606 T N -2.828 111.854 114.554 0.213 0.000 2.901 606 T HA 0.807 5.157 4.350 -0.001 0.000 0.293 606 T C 0.191 175.126 174.700 0.392 0.000 1.084 606 T CA -1.054 61.206 62.100 0.266 0.000 1.008 606 T CB 2.276 71.268 68.868 0.207 0.000 1.170 606 T HN 0.133 nan 8.240 nan 0.000 0.509 607 I N 3.040 123.830 120.570 0.366 0.000 2.355 607 I HA 0.523 4.693 4.170 -0.001 0.000 0.288 607 I C -0.306 176.104 176.117 0.487 0.000 0.999 607 I CA -0.667 60.862 61.300 0.380 0.000 1.163 607 I CB 0.680 38.839 38.000 0.265 0.000 1.316 607 I HN 0.939 nan 8.210 nan 0.000 0.454 608 H N 6.012 125.255 119.070 0.289 0.000 3.016 608 H HA 0.670 5.226 4.556 -0.001 0.000 0.362 608 H C -3.175 171.948 175.328 -0.343 0.000 1.233 608 H CA -2.366 53.688 56.048 0.010 0.000 1.124 608 H CB 1.916 31.682 29.762 0.008 0.000 1.850 608 H HN 0.149 nan 8.280 nan 0.000 0.549 609 P HA 0.204 nan 4.420 nan 0.000 0.290 609 P C -1.021 176.197 177.300 -0.137 0.000 1.275 609 P CA -0.648 61.918 63.100 -0.891 0.000 0.841 609 P CB 1.861 32.641 31.700 -1.533 0.000 1.042 610 Q N 0.936 120.757 119.800 0.035 0.000 2.337 610 Q HA 0.572 4.912 4.340 -0.001 0.000 0.266 610 Q C 0.162 176.251 176.000 0.149 0.000 1.023 610 Q CA -0.507 55.409 55.803 0.188 0.000 0.829 610 Q CB 2.763 31.626 28.738 0.207 0.000 1.306 610 Q HN 0.602 nan 8.270 nan 0.000 0.449 611 G N 0.622 109.393 108.800 -0.049 0.000 2.389 611 G HA2 0.359 4.318 3.960 -0.001 0.000 0.328 611 G HA3 0.359 4.318 3.960 -0.001 0.000 0.328 611 G C -0.475 174.176 174.900 -0.414 0.000 1.133 611 G CA -0.326 44.422 45.100 -0.586 0.000 0.891 611 G HN 0.424 nan 8.290 nan 0.000 0.485 612 S N -0.665 114.729 115.700 -0.509 0.000 2.565 612 S HA 0.363 4.833 4.470 -0.001 0.000 0.276 612 S C 1.508 175.851 174.600 -0.429 0.000 1.326 612 S CA 0.193 58.137 58.200 -0.427 0.000 1.045 612 S CB 0.806 63.694 63.200 -0.520 0.000 0.918 612 S HN 0.896 nan 8.310 nan 0.000 0.505 613 T N -0.162 114.226 114.554 -0.277 0.000 3.092 613 T HA 0.174 4.523 4.350 -0.001 0.000 0.258 613 T C 0.957 175.585 174.700 -0.120 0.000 1.031 613 T CA 0.423 62.432 62.100 -0.152 0.000 0.925 613 T CB -0.207 68.624 68.868 -0.062 0.000 1.036 613 T HN 0.693 nan 8.240 nan 0.000 0.544 614 T N -2.239 112.141 114.554 -0.290 0.000 3.130 614 T HA 0.394 4.743 4.350 -0.001 0.000 0.288 614 T C 0.065 174.560 174.700 -0.343 0.000 0.936 614 T CA -0.560 61.427 62.100 -0.189 0.000 0.897 614 T CB 0.295 69.104 68.868 -0.098 0.000 1.178 614 T HN 0.231 nan 8.240 nan 0.000 0.543 615 K N 0.714 120.672 120.400 -0.735 0.000 2.422 615 K HA 0.668 4.988 4.320 -0.001 0.000 0.251 615 K C -1.894 174.030 176.600 -1.126 0.000 0.933 615 K CA -0.747 55.161 56.287 -0.632 0.000 0.798 615 K CB 2.369 34.557 32.500 -0.520 0.000 1.238 615 K HN 0.155 nan 8.250 nan 0.000 0.428 616 Y N -0.020 120.211 120.300 -0.114 0.000 2.581 616 Y HA 0.427 4.977 4.550 -0.001 0.000 0.345 616 Y C -0.198 175.736 175.900 0.057 0.000 1.036 616 Y CA -1.162 56.904 58.100 -0.056 0.000 1.042 616 Y CB 1.819 40.307 38.460 0.047 0.000 1.289 616 Y HN 0.239 nan 8.280 nan 0.000 0.471 617 R N 1.785 122.434 120.500 0.249 0.000 2.294 617 R HA 0.573 4.913 4.340 -0.001 0.000 0.319 617 R C -1.251 175.226 176.300 0.296 0.000 0.984 617 R CA -0.637 55.651 56.100 0.314 0.000 0.861 617 R CB 1.635 32.094 30.300 0.265 0.000 1.104 617 R HN 0.637 nan 8.270 nan 0.000 0.451 618 I N 4.164 124.925 120.570 0.319 0.000 2.412 618 I HA 0.424 4.594 4.170 -0.001 0.000 0.296 618 I C -1.040 175.262 176.117 0.308 0.000 0.987 618 I CA -0.742 60.736 61.300 0.297 0.000 1.180 618 I CB 1.025 39.213 38.000 0.314 0.000 1.340 618 I HN 0.542 nan 8.210 nan 0.000 0.455 619 I N 8.191 128.912 120.570 0.252 0.000 2.498 619 I HA 0.513 4.682 4.170 -0.001 0.000 0.290 619 I C -0.990 175.278 176.117 0.252 0.000 1.032 619 I CA -0.509 60.888 61.300 0.162 0.000 1.073 619 I CB 1.660 39.717 38.000 0.096 0.000 1.251 619 I HN 0.519 nan 8.210 nan 0.000 0.426 620 F N 2.773 122.744 119.950 0.034 0.000 2.686 620 F HA 0.577 5.103 4.527 -0.001 0.000 0.311 620 F C -1.034 174.747 175.800 -0.032 0.000 1.128 620 F CA -1.281 56.718 58.000 -0.003 0.000 0.946 620 F CB 1.335 40.317 39.000 -0.030 0.000 1.336 620 F HN 0.193 nan 8.300 nan 0.000 0.457 621 K N 1.943 122.443 120.400 0.167 0.000 2.285 621 K HA 0.728 5.048 4.320 -0.001 0.000 0.286 621 K C -0.673 175.985 176.600 0.096 0.000 1.072 621 K CA -0.383 55.938 56.287 0.056 0.000 0.913 621 K CB 0.899 33.460 32.500 0.103 0.000 1.067 621 K HN 0.925 nan 8.250 nan 0.000 0.479 622 A N 4.647 127.430 122.820 -0.062 0.000 2.310 622 A HA 0.403 4.722 4.320 -0.001 0.000 0.299 622 A C -0.622 177.098 177.584 0.226 0.000 1.147 622 A CA -0.661 51.407 52.037 0.052 0.000 0.818 622 A CB 0.655 19.638 19.000 -0.027 0.000 1.096 622 A HN 0.880 nan 8.150 nan 0.000 0.495 623 R N 2.051 122.793 120.500 0.403 0.000 2.439 623 R HA 0.604 4.944 4.340 -0.001 0.000 0.310 623 R C -1.894 174.666 176.300 0.432 0.000 0.955 623 R CA -0.240 56.085 56.100 0.375 0.000 0.853 623 R CB 1.364 31.868 30.300 0.341 0.000 1.171 623 R HN 0.506 nan 8.270 nan 0.000 0.449 624 V N 5.987 126.112 119.914 0.351 0.000 2.656 624 V HA 0.479 4.599 4.120 -0.001 0.000 0.307 624 V C -2.281 173.713 176.094 -0.167 0.000 1.051 624 V CA -2.327 60.070 62.300 0.163 0.000 0.893 624 V CB 1.948 33.839 31.823 0.114 0.000 0.999 624 V HN 0.777 nan 8.190 nan 0.000 0.426 625 P HA 0.245 nan 4.420 nan 0.000 0.272 625 P C -2.759 174.056 177.300 -0.808 0.000 1.240 625 P CA -1.494 60.712 63.100 -1.490 0.000 0.791 625 P CB -0.231 30.786 31.700 -1.139 0.000 0.978 626 P HA 0.085 nan 4.420 nan 0.000 0.264 626 P C 0.093 177.350 177.300 -0.072 0.000 1.193 626 P CA 0.603 63.510 63.100 -0.321 0.000 0.763 626 P CB -0.250 31.332 31.700 -0.197 0.000 0.810 627 M N 0.392 119.990 119.600 -0.002 0.000 2.253 627 M HA -0.213 4.266 4.480 -0.001 0.000 0.199 627 M C 0.565 177.064 176.300 0.332 0.000 0.342 627 M CA 0.978 56.416 55.300 0.231 0.000 0.417 627 M CB -2.045 30.779 32.600 0.374 0.000 1.338 627 M HN 0.583 nan 8.290 nan 0.000 0.920 628 G N -0.207 108.645 108.800 0.087 0.000 3.022 628 G HA2 0.934 4.893 3.960 -0.001 0.000 0.284 628 G HA3 0.934 4.893 3.960 -0.001 0.000 0.284 628 G C -1.341 173.680 174.900 0.201 0.000 1.375 628 G CA -0.984 44.132 45.100 0.027 0.000 0.902 628 G HN 0.182 nan 8.290 nan 0.000 0.538 629 L N -0.488 120.836 121.223 0.169 0.000 2.388 629 L HA 0.807 5.146 4.340 -0.001 0.000 0.264 629 L C -0.231 176.721 176.870 0.138 0.000 0.998 629 L CA -1.048 53.918 54.840 0.209 0.000 0.817 629 L CB 2.484 44.670 42.059 0.212 0.000 1.338 629 L HN 0.756 nan 8.230 nan 0.000 0.414 630 A N 0.773 123.713 122.820 0.200 0.000 2.427 630 A HA 0.787 5.107 4.320 -0.001 0.000 0.298 630 A C -0.769 176.944 177.584 0.215 0.000 1.036 630 A CA -0.445 51.692 52.037 0.167 0.000 0.701 630 A CB 1.670 20.819 19.000 0.248 0.000 1.250 630 A HN 0.560 nan 8.150 nan 0.000 0.412 631 T N 2.224 116.802 114.554 0.039 0.000 2.829 631 T HA 0.645 4.995 4.350 -0.001 0.000 0.282 631 T C -1.015 173.577 174.700 -0.180 0.000 0.990 631 T CA 0.268 62.430 62.100 0.103 0.000 1.028 631 T CB 0.315 69.244 68.868 0.102 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.306 120.681 120.300 0.124 0.000 2.605 632 Y HA 0.669 5.219 4.550 -0.001 0.000 0.343 632 Y C -0.338 175.476 175.900 -0.144 0.000 1.036 632 Y CA -1.176 56.911 58.100 -0.021 0.000 1.065 632 Y CB 1.705 40.168 38.460 0.005 0.000 1.288 632 Y HN 0.309 nan 8.280 nan 0.000 0.481 633 V N 2.834 122.704 119.914 -0.073 0.000 2.588 633 V HA 0.434 4.554 4.120 -0.001 0.000 0.304 633 V C -1.172 174.862 176.094 -0.101 0.000 1.042 633 V CA -0.781 61.414 62.300 -0.174 0.000 0.877 633 V CB 1.772 33.418 31.823 -0.294 0.000 0.996 633 V HN 0.400 nan 8.190 nan 0.000 0.425 634 L N 3.890 125.084 121.223 -0.048 0.000 2.296 634 L HA 0.717 5.057 4.340 -0.001 0.000 0.286 634 L C 0.278 177.166 176.870 0.029 0.000 1.023 634 L CA 0.348 55.175 54.840 -0.021 0.000 0.812 634 L CB 1.830 43.891 42.059 0.003 0.000 1.223 634 L HN 0.716 nan 8.230 nan 0.000 0.421 635 T N 4.022 118.596 114.554 0.033 0.000 2.861 635 T HA 0.550 4.899 4.350 -0.001 0.000 0.287 635 T C -0.226 174.523 174.700 0.082 0.000 1.003 635 T CA -0.389 61.745 62.100 0.057 0.000 0.977 635 T CB 1.747 70.638 68.868 0.039 0.000 0.996 635 T HN 0.386 nan 8.240 nan 0.000 0.448 636 I N 3.042 123.669 120.570 0.095 0.000 2.612 636 I HA 0.569 4.739 4.170 -0.001 0.000 0.295 636 I C 0.203 176.385 176.117 0.109 0.000 1.011 636 I CA 0.079 61.451 61.300 0.121 0.000 1.326 636 I CB 0.830 38.904 38.000 0.123 0.000 1.427 636 I HN 0.824 nan 8.210 nan 0.000 0.537 637 S N 3.636 119.418 115.700 0.136 0.000 2.661 637 S HA 0.312 4.781 4.470 -0.001 0.000 0.285 637 S C 0.171 174.811 174.600 0.066 0.000 1.138 637 S CA -0.576 57.670 58.200 0.078 0.000 0.855 637 S CB 1.570 64.800 63.200 0.050 0.000 1.136 637 S HN 0.738 nan 8.310 nan 0.000 0.484 638 D N 0.244 120.624 120.400 -0.034 0.000 2.317 638 D HA 0.034 4.673 4.640 -0.001 0.000 0.211 638 D C 0.818 176.860 176.300 -0.429 0.000 0.966 638 D CA 0.813 54.757 54.000 -0.093 0.000 0.876 638 D CB -0.070 40.684 40.800 -0.075 0.000 0.927 638 D HN 0.617 nan 8.370 nan 0.000 0.519 639 S N -1.142 114.222 115.700 -0.561 0.000 2.720 639 S HA 0.388 4.858 4.470 -0.001 0.000 0.287 639 S C -0.623 173.554 174.600 -0.705 0.000 1.168 639 S CA -1.118 56.482 58.200 -1.000 0.000 0.832 639 S CB 1.801 64.693 63.200 -0.513 0.000 1.166 639 S HN -0.054 nan 8.310 nan 0.000 0.493 640 K N 1.916 122.000 120.400 -0.527 0.000 2.437 640 K HA 0.163 4.482 4.320 -0.001 0.000 0.277 640 K C -2.407 174.224 176.600 0.052 0.000 1.073 640 K CA -0.518 55.785 56.287 0.028 0.000 1.105 640 K CB -0.589 31.963 32.500 0.086 0.000 0.881 640 K HN 0.389 nan 8.250 nan 0.000 0.475 641 P HA -0.013 nan 4.420 nan 0.000 0.274 641 P C 0.493 177.817 177.300 0.041 0.000 1.231 641 P CA -0.313 62.838 63.100 0.085 0.000 0.790 641 P CB 0.778 32.553 31.700 0.124 0.000 0.951 642 E N 1.353 121.538 120.200 -0.025 0.000 2.118 642 E HA -0.241 4.108 4.350 -0.001 0.000 0.195 642 E C 0.521 176.940 176.600 -0.300 0.000 0.992 642 E CA 1.170 57.463 56.400 -0.179 0.000 0.804 642 E CB -0.053 29.475 29.700 -0.287 0.000 0.741 642 E HN 0.493 nan 8.360 nan 0.000 0.458 643 H N -0.563 118.517 119.070 0.016 0.000 2.505 643 H HA 0.213 4.768 4.556 -0.001 0.000 0.289 643 H C -0.393 174.929 175.328 -0.011 0.000 1.052 643 H CA 0.247 56.299 56.048 0.006 0.000 1.156 643 H CB 0.678 30.442 29.762 0.003 0.000 1.507 643 H HN -0.038 nan 8.280 nan 0.000 0.548 644 T N 1.411 115.986 114.554 0.034 0.000 2.812 644 T HA 0.315 4.665 4.350 -0.001 0.000 0.282 644 T C 0.266 174.839 174.700 -0.210 0.000 0.990 644 T CA -0.713 61.340 62.100 -0.077 0.000 0.960 644 T CB 2.151 70.972 68.868 -0.078 0.000 0.948 644 T HN 0.259 nan 8.240 nan 0.000 0.438 645 S N 2.319 117.848 115.700 -0.285 0.000 2.718 645 S HA 0.784 5.254 4.470 -0.001 0.000 0.300 645 S C -1.382 172.851 174.600 -0.613 0.000 1.117 645 S CA -0.825 57.213 58.200 -0.269 0.000 1.002 645 S CB 0.889 64.052 63.200 -0.063 0.000 1.092 645 S HN 0.575 nan 8.310 nan 0.000 0.542 646 Y N 0.057 120.362 120.300 0.008 0.000 2.376 646 Y HA 0.656 5.205 4.550 -0.001 0.000 0.340 646 Y C 0.612 176.562 175.900 0.082 0.000 0.965 646 Y CA -0.784 57.307 58.100 -0.016 0.000 1.078 646 Y CB 1.678 39.995 38.460 -0.239 0.000 1.193 646 Y HN 1.035 nan 8.280 nan 0.000 0.452 647 A N 1.955 124.960 122.820 0.309 0.000 2.386 647 A HA 0.508 4.828 4.320 -0.001 0.000 0.248 647 A C 0.250 178.033 177.584 0.331 0.000 1.082 647 A CA -0.313 51.894 52.037 0.283 0.000 0.789 647 A CB -0.037 19.132 19.000 0.281 0.000 1.025 647 A HN 0.766 nan 8.150 nan 0.000 0.490 648 S N 1.740 117.572 115.700 0.221 0.000 2.646 648 S HA 0.575 5.045 4.470 -0.001 0.000 0.276 648 S C -0.399 174.304 174.600 0.171 0.000 1.222 648 S CA -0.895 57.420 58.200 0.192 0.000 1.014 648 S CB 0.815 64.085 63.200 0.116 0.000 0.991 648 S HN 0.684 nan 8.310 nan 0.000 0.533 649 N N 0.514 119.293 118.700 0.132 0.000 2.310 649 N HA 0.467 5.207 4.740 -0.001 0.000 0.292 649 N C -2.029 173.437 175.510 -0.074 0.000 1.049 649 N CA -0.512 52.577 53.050 0.065 0.000 0.849 649 N CB 2.026 40.641 38.487 0.213 0.000 1.532 649 N HN 0.597 nan 8.380 nan 0.000 0.479 650 L N 2.478 123.612 121.223 -0.147 0.000 2.404 650 L HA 0.512 4.852 4.340 -0.001 0.000 0.272 650 L C -1.699 175.021 176.870 -0.250 0.000 0.980 650 L CA -0.699 54.021 54.840 -0.200 0.000 0.836 650 L CB 1.418 43.413 42.059 -0.106 0.000 1.238 650 L HN 0.410 nan 8.230 nan 0.000 0.408 651 L N 6.104 127.126 121.223 -0.334 0.000 2.265 651 L HA 0.538 4.877 4.340 -0.001 0.000 0.289 651 L C -1.130 175.711 176.870 -0.048 0.000 1.033 651 L CA -0.051 54.653 54.840 -0.227 0.000 0.814 651 L CB 0.994 42.910 42.059 -0.238 0.000 1.203 651 L HN 0.580 nan 8.230 nan 0.000 0.423 652 L N 6.814 128.028 121.223 -0.014 0.000 2.262 652 L HA 0.698 5.038 4.340 -0.001 0.000 0.288 652 L C -0.307 176.601 176.870 0.064 0.000 1.035 652 L CA -0.588 54.274 54.840 0.037 0.000 0.820 652 L CB 0.733 42.807 42.059 0.024 0.000 1.204 652 L HN 0.729 nan 8.230 nan 0.000 0.424 653 R N 2.088 122.638 120.500 0.082 0.000 2.753 653 R HA 0.430 4.769 4.340 -0.001 0.000 0.272 653 R C -1.757 174.579 176.300 0.061 0.000 1.034 653 R CA -1.024 55.119 56.100 0.072 0.000 0.869 653 R CB 1.098 31.441 30.300 0.072 0.000 1.264 653 R HN 0.170 nan 8.270 nan 0.000 0.481 654 K N 1.332 121.757 120.400 0.042 0.000 2.126 654 K HA 0.218 4.537 4.320 -0.001 0.000 0.257 654 K C -0.291 176.311 176.600 0.004 0.000 1.007 654 K CA -0.625 55.677 56.287 0.025 0.000 0.928 654 K CB 0.493 33.006 32.500 0.022 0.000 1.013 654 K HN 0.820 nan 8.250 nan 0.000 0.473 655 N N 0.852 119.543 118.700 -0.016 0.000 2.746 655 N HA -0.103 4.636 4.740 -0.001 0.000 0.250 655 N C -2.623 172.841 175.510 -0.078 0.000 1.055 655 N CA 0.124 53.146 53.050 -0.046 0.000 0.699 655 N CB -0.789 37.676 38.487 -0.038 0.000 0.919 655 N HN 0.432 nan 8.380 nan 0.000 0.548 656 P HA 0.329 nan 4.420 nan 0.000 0.279 656 P C -0.325 176.800 177.300 -0.293 0.000 1.252 656 P CA -0.134 62.865 63.100 -0.168 0.000 0.811 656 P CB 1.117 32.710 31.700 -0.179 0.000 1.035 657 T N -2.675 111.702 114.554 -0.294 0.000 2.916 657 T HA 0.482 4.831 4.350 -0.001 0.000 0.292 657 T C 0.274 174.782 174.700 -0.321 0.000 1.064 657 T CA -0.761 61.176 62.100 -0.272 0.000 1.011 657 T CB 0.636 69.414 68.868 -0.150 0.000 1.152 657 T HN 0.478 nan 8.240 nan 0.000 0.510 658 S N 0.758 116.324 115.700 -0.224 0.000 2.566 658 S HA 0.380 4.850 4.470 -0.001 0.000 0.280 658 S C -0.165 174.529 174.600 0.156 0.000 1.343 658 S CA -0.725 57.441 58.200 -0.057 0.000 1.036 658 S CB -0.371 62.818 63.200 -0.019 0.000 0.866 658 S HN 0.695 nan 8.310 nan 0.000 0.526 659 L N 2.401 123.821 121.223 0.330 0.000 2.489 659 L HA 0.372 4.712 4.340 -0.001 0.000 0.257 659 L C -2.359 174.622 176.870 0.185 0.000 1.215 659 L CA -1.570 53.439 54.840 0.282 0.000 0.915 659 L CB 1.627 43.935 42.059 0.415 0.000 1.146 659 L HN 0.594 nan 8.230 nan 0.000 0.494 660 P HA 0.181 nan 4.420 nan 0.000 0.275 660 P C -0.050 177.257 177.300 0.012 0.000 1.228 660 P CA -0.165 62.977 63.100 0.069 0.000 0.786 660 P CB 1.771 33.502 31.700 0.050 0.000 0.927 661 L N 1.024 122.264 121.223 0.028 0.000 3.289 661 L HA 0.289 4.629 4.340 -0.001 0.000 0.291 661 L C 1.383 178.329 176.870 0.128 0.000 1.279 661 L CA -0.054 54.784 54.840 -0.004 0.000 1.025 661 L CB 0.044 42.075 42.059 -0.048 0.000 1.413 661 L HN 0.743 nan 8.230 nan 0.000 0.593 662 G N 1.162 110.017 108.800 0.091 0.000 2.591 662 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.298 662 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.298 662 G C 0.507 175.462 174.900 0.092 0.000 1.195 662 G CA 0.635 45.803 45.100 0.113 0.000 0.989 662 G HN 0.448 nan 8.290 nan 0.000 0.551 663 Q N -0.478 119.352 119.800 0.050 0.000 2.472 663 Q HA 0.185 4.525 4.340 -0.001 0.000 0.208 663 Q C 0.844 176.672 176.000 -0.288 0.000 0.958 663 Q CA 0.282 56.011 55.803 -0.123 0.000 0.932 663 Q CB 0.272 28.851 28.738 -0.265 0.000 1.007 663 Q HN 0.504 nan 8.270 nan 0.000 0.508 664 Y N 4.229 124.331 120.300 -0.331 0.000 2.805 664 Y HA -0.059 4.490 4.550 -0.001 0.000 0.331 664 Y C -1.279 174.473 175.900 -0.247 0.000 1.241 664 Y CA -1.472 56.419 58.100 -0.348 0.000 1.546 664 Y CB 0.794 39.213 38.460 -0.069 0.000 1.248 664 Y HN 0.048 nan 8.280 nan 0.000 0.559 665 P HA -0.110 nan 4.420 nan 0.000 0.233 665 P C -0.451 176.692 177.300 -0.261 0.000 1.167 665 P CA 0.894 63.717 63.100 -0.462 0.000 0.770 665 P CB 0.365 31.692 31.700 -0.622 0.000 0.837 666 E N 0.629 120.703 120.200 -0.210 0.000 2.171 666 E HA 0.195 4.545 4.350 -0.001 0.000 0.271 666 E C -0.752 175.963 176.600 0.192 0.000 0.916 666 E CA -0.824 55.597 56.400 0.035 0.000 0.774 666 E CB 0.945 30.706 29.700 0.102 0.000 1.128 666 E HN -0.121 nan 8.360 nan 0.000 0.403 667 D N 2.373 122.850 120.400 0.129 0.000 2.345 667 D HA 0.091 4.730 4.640 -0.001 0.000 0.247 667 D C -0.194 176.177 176.300 0.120 0.000 1.108 667 D CA -0.184 53.900 54.000 0.140 0.000 0.894 667 D CB 1.404 42.272 40.800 0.113 0.000 1.203 667 D HN 0.138 nan 8.370 nan 0.000 0.430 668 V N 3.481 123.455 119.914 0.100 0.000 2.673 668 V HA -0.028 4.092 4.120 -0.001 0.000 0.303 668 V C 0.883 176.834 176.094 -0.238 0.000 1.046 668 V CA 0.150 62.414 62.300 -0.061 0.000 1.126 668 V CB 0.360 32.125 31.823 -0.097 0.000 0.934 668 V HN 0.292 nan 8.190 nan 0.000 0.487 669 K N 3.640 123.837 120.400 -0.338 0.000 2.118 669 K HA 0.649 4.968 4.320 -0.001 0.000 0.254 669 K C -0.952 175.270 176.600 -0.630 0.000 0.961 669 K CA -0.309 55.803 56.287 -0.291 0.000 0.876 669 K CB 1.730 34.175 32.500 -0.091 0.000 1.077 669 K HN 0.426 nan 8.250 nan 0.000 0.440 670 F N -0.952 119.012 119.950 0.024 0.000 2.593 670 F HA 0.673 5.199 4.527 -0.001 0.000 0.320 670 F C 0.608 176.414 175.800 0.010 0.000 1.060 670 F CA -0.631 57.374 58.000 0.009 0.000 0.940 670 F CB 2.703 41.708 39.000 0.007 0.000 1.268 670 F HN 0.604 nan 8.300 nan 0.000 0.475 671 G N 0.392 109.300 108.800 0.179 0.000 2.601 671 G HA2 0.386 4.345 3.960 -0.001 0.000 0.291 671 G HA3 0.386 4.345 3.960 -0.001 0.000 0.291 671 G C -2.189 172.765 174.900 0.089 0.000 1.456 671 G CA -0.871 44.294 45.100 0.109 0.000 0.804 671 G HN 0.370 nan 8.290 nan 0.000 0.499 672 D N 0.751 121.191 120.400 0.067 0.000 2.362 672 D HA 0.376 5.015 4.640 -0.001 0.000 0.242 672 D C -1.979 174.352 176.300 0.052 0.000 1.132 672 D CA -0.612 53.422 54.000 0.056 0.000 0.907 672 D CB 1.046 41.873 40.800 0.045 0.000 1.195 672 D HN -0.004 nan 8.370 nan 0.000 0.429 673 P HA 0.050 nan 4.420 nan 0.000 0.264 673 P C -0.449 176.882 177.300 0.051 0.000 1.179 673 P CA 0.492 63.624 63.100 0.053 0.000 0.763 673 P CB 0.437 32.171 31.700 0.056 0.000 0.806 674 R N 0.247 120.780 120.500 0.054 0.000 2.690 674 R HA 0.408 4.747 4.340 -0.001 0.000 0.269 674 R C -1.174 175.167 176.300 0.069 0.000 1.037 674 R CA -1.028 55.104 56.100 0.054 0.000 0.877 674 R CB 1.037 31.364 30.300 0.046 0.000 1.255 674 R HN 0.227 nan 8.270 nan 0.000 0.467 675 E N 1.502 121.744 120.200 0.069 0.000 2.398 675 E HA 0.294 4.644 4.350 -0.001 0.000 0.263 675 E C -0.013 176.648 176.600 0.101 0.000 1.046 675 E CA -0.064 56.392 56.400 0.093 0.000 0.908 675 E CB 0.890 30.629 29.700 0.066 0.000 0.963 675 E HN 0.454 nan 8.360 nan 0.000 0.431 676 I N -2.272 118.393 120.570 0.159 0.000 3.095 676 I HA 0.576 4.745 4.170 -0.001 0.000 0.310 676 I C -0.728 175.538 176.117 0.249 0.000 1.196 676 I CA -0.857 60.536 61.300 0.156 0.000 0.985 676 I CB 2.380 40.446 38.000 0.109 0.000 1.250 676 I HN 0.246 nan 8.210 nan 0.000 0.446 677 S N 3.171 118.989 115.700 0.196 0.000 2.548 677 S HA 0.885 5.354 4.470 -0.001 0.000 0.286 677 S C -1.182 173.539 174.600 0.202 0.000 1.098 677 S CA -0.530 57.800 58.200 0.217 0.000 0.930 677 S CB 1.245 64.523 63.200 0.130 0.000 1.070 677 S HN 0.641 nan 8.310 nan 0.000 0.480 678 L N 2.950 124.319 121.223 0.242 0.000 2.424 678 L HA 0.709 5.048 4.340 -0.001 0.000 0.258 678 L C -0.492 176.473 176.870 0.159 0.000 0.995 678 L CA -0.761 54.191 54.840 0.186 0.000 0.821 678 L CB 2.434 44.614 42.059 0.201 0.000 1.383 678 L HN 0.648 nan 8.230 nan 0.000 0.410 679 R N 1.379 121.949 120.500 0.117 0.000 2.522 679 R HA 0.661 5.001 4.340 -0.001 0.000 0.283 679 R C -2.112 174.236 176.300 0.080 0.000 1.074 679 R CA -0.468 55.689 56.100 0.094 0.000 0.925 679 R CB 2.291 32.638 30.300 0.077 0.000 1.205 679 R HN 0.398 nan 8.270 nan 0.000 0.436 680 V N 4.506 124.465 119.914 0.075 0.000 2.435 680 V HA 0.587 4.707 4.120 -0.001 0.000 0.290 680 V C 1.070 177.196 176.094 0.054 0.000 1.030 680 V CA 0.633 62.972 62.300 0.065 0.000 0.881 680 V CB 1.165 33.029 31.823 0.068 0.000 0.983 680 V HN 1.112 nan 8.190 nan 0.000 0.445 681 G N 5.013 113.843 108.800 0.050 0.000 2.596 681 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.295 681 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.295 681 G C 0.444 175.366 174.900 0.037 0.000 1.240 681 G CA 0.596 45.721 45.100 0.042 0.000 0.985 681 G HN 0.686 nan 8.290 nan 0.000 0.555 682 N N 2.282 121.000 118.700 0.030 0.000 2.238 682 N HA 0.283 5.022 4.740 -0.001 0.000 0.222 682 N C 1.118 176.640 175.510 0.019 0.000 1.133 682 N CA 0.852 53.916 53.050 0.023 0.000 0.854 682 N CB 0.581 39.079 38.487 0.018 0.000 1.041 682 N HN 0.804 nan 8.380 nan 0.000 0.510 683 G N 1.749 110.565 108.800 0.026 0.000 2.489 683 G HA2 0.214 4.174 3.960 -0.001 0.000 0.271 683 G HA3 0.214 4.174 3.960 -0.001 0.000 0.271 683 G C -2.333 172.578 174.900 0.019 0.000 1.427 683 G CA -0.579 44.535 45.100 0.023 0.000 1.057 683 G HN -0.002 nan 8.290 nan 0.000 0.532 684 P HA 0.220 nan 4.420 nan 0.000 0.274 684 P C -0.614 176.704 177.300 0.030 0.000 1.246 684 P CA 0.019 63.123 63.100 0.008 0.000 0.795 684 P CB 0.987 32.687 31.700 -0.001 0.000 1.006 685 T N 2.228 116.794 114.554 0.020 0.000 2.771 685 T HA 0.467 4.816 4.350 -0.001 0.000 0.281 685 T C -0.018 174.715 174.700 0.056 0.000 0.982 685 T CA -0.378 61.759 62.100 0.061 0.000 0.978 685 T CB 0.126 69.039 68.868 0.076 0.000 0.930 685 T HN 0.178 nan 8.240 nan 0.000 0.447 686 L N 2.690 123.959 121.223 0.077 0.000 2.329 686 L HA 0.793 5.133 4.340 -0.001 0.000 0.279 686 L C 0.162 176.988 176.870 -0.074 0.000 1.014 686 L CA -1.166 53.649 54.840 -0.042 0.000 0.814 686 L CB 1.565 43.594 42.059 -0.050 0.000 1.257 686 L HN 0.638 nan 8.230 nan 0.000 0.424 687 A N 3.081 125.768 122.820 -0.221 0.000 2.337 687 A HA 0.879 5.199 4.320 -0.001 0.000 0.329 687 A C -1.214 176.146 177.584 -0.373 0.000 1.146 687 A CA -0.309 51.655 52.037 -0.122 0.000 0.800 687 A CB 0.877 19.849 19.000 -0.045 0.000 1.220 687 A HN 0.498 nan 8.150 nan 0.000 0.472 688 F N 0.689 120.685 119.950 0.077 0.000 2.546 688 F HA 0.546 5.072 4.527 -0.001 0.000 0.320 688 F C 1.063 176.912 175.800 0.082 0.000 1.076 688 F CA -0.336 57.725 58.000 0.101 0.000 0.928 688 F CB 2.143 41.206 39.000 0.105 0.000 1.189 688 F HN 0.675 nan 8.300 nan 0.000 0.465 689 S N -0.036 115.824 115.700 0.268 0.000 2.617 689 S HA 0.116 4.586 4.470 -0.001 0.000 0.259 689 S C 1.019 175.726 174.600 0.178 0.000 1.301 689 S CA -0.063 58.242 58.200 0.175 0.000 0.984 689 S CB 0.690 63.991 63.200 0.169 0.000 0.954 689 S HN 0.844 nan 8.310 nan 0.000 0.572 690 E N -0.193 120.080 120.200 0.122 0.000 2.409 690 E HA -0.196 4.153 4.350 -0.001 0.000 0.198 690 E C 1.285 177.950 176.600 0.108 0.000 1.024 690 E CA 0.983 57.445 56.400 0.102 0.000 0.861 690 E CB -0.425 29.320 29.700 0.074 0.000 0.788 690 E HN 0.761 nan 8.360 nan 0.000 0.521 691 Q N 0.027 119.906 119.800 0.132 0.000 2.320 691 Q HA 0.207 4.546 4.340 -0.001 0.000 0.201 691 Q C 0.807 176.899 176.000 0.152 0.000 0.910 691 Q CA 0.454 56.333 55.803 0.127 0.000 0.946 691 Q CB 0.953 29.767 28.738 0.127 0.000 1.062 691 Q HN 0.488 nan 8.270 nan 0.000 0.503 692 G N 0.425 109.337 108.800 0.187 0.000 2.136 692 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.242 692 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.242 692 G C -0.273 174.855 174.900 0.381 0.000 0.989 692 G CA -0.172 45.047 45.100 0.197 0.000 0.682 692 G HN 0.270 nan 8.290 nan 0.000 0.522 693 L N -0.048 121.435 121.223 0.433 0.000 2.317 693 L HA 0.662 5.001 4.340 -0.001 0.000 0.281 693 L C 0.817 177.980 176.870 0.488 0.000 1.024 693 L CA -1.396 53.742 54.840 0.497 0.000 0.810 693 L CB 1.576 43.835 42.059 0.332 0.000 1.240 693 L HN 0.131 nan 8.230 nan 0.000 0.427 694 L N 3.194 124.683 121.223 0.442 0.000 2.559 694 L HA -0.073 4.267 4.340 -0.001 0.000 0.282 694 L C 0.946 177.877 176.870 0.102 0.000 1.232 694 L CA 1.129 55.975 54.840 0.011 0.000 0.885 694 L CB 0.097 42.205 42.059 0.082 0.000 1.131 694 L HN 0.727 nan 8.230 nan 0.000 0.498 695 K N 1.273 121.633 120.400 -0.066 0.000 2.474 695 K HA 0.232 4.552 4.320 -0.001 0.000 0.202 695 K C -0.364 176.177 176.600 -0.098 0.000 1.248 695 K CA 0.570 56.839 56.287 -0.030 0.000 0.946 695 K CB 0.502 32.967 32.500 -0.058 0.000 1.102 695 K HN 0.810 nan 8.250 nan 0.000 0.541 696 S N -0.332 115.288 115.700 -0.135 0.000 2.565 696 S HA 0.521 4.990 4.470 -0.001 0.000 0.269 696 S C -1.009 173.536 174.600 -0.091 0.000 1.153 696 S CA -1.011 57.136 58.200 -0.089 0.000 0.835 696 S CB 1.413 64.610 63.200 -0.004 0.000 1.122 696 S HN 0.091 nan 8.310 nan 0.000 0.462 697 I N 1.385 121.914 120.570 -0.068 0.000 2.466 697 I HA 0.455 4.625 4.170 -0.001 0.000 0.289 697 I C -0.611 175.458 176.117 -0.079 0.000 1.026 697 I CA -0.368 60.891 61.300 -0.068 0.000 1.078 697 I CB 2.150 40.100 38.000 -0.082 0.000 1.249 697 I HN 0.724 nan 8.210 nan 0.000 0.429 698 Q N 5.992 125.731 119.800 -0.102 0.000 2.357 698 Q HA 0.417 4.756 4.340 -0.001 0.000 0.266 698 Q C 0.113 176.036 176.000 -0.128 0.000 1.021 698 Q CA -0.514 55.160 55.803 -0.215 0.000 0.784 698 Q CB 1.715 30.187 28.738 -0.443 0.000 1.243 698 Q HN 0.774 nan 8.270 nan 0.000 0.465 699 L N 1.945 123.103 121.223 -0.108 0.000 2.093 699 L HA -0.040 4.299 4.340 -0.001 0.000 0.208 699 L C 1.155 177.991 176.870 -0.057 0.000 1.085 699 L CA 1.317 56.116 54.840 -0.070 0.000 0.755 699 L CB -0.283 41.739 42.059 -0.062 0.000 0.904 699 L HN 0.673 nan 8.230 nan 0.000 0.435 700 T N -6.806 107.706 114.554 -0.070 0.000 2.865 700 T HA 0.207 4.556 4.350 -0.001 0.000 0.294 700 T C 0.517 175.182 174.700 -0.058 0.000 1.119 700 T CA -0.850 61.221 62.100 -0.049 0.000 1.007 700 T CB 1.808 70.653 68.868 -0.039 0.000 1.225 700 T HN -0.166 nan 8.240 nan 0.000 0.515 701 Q N 1.007 120.788 119.800 -0.032 0.000 2.096 701 Q HA -0.183 4.157 4.340 -0.001 0.000 0.208 701 Q C 1.870 177.851 176.000 -0.032 0.000 0.993 701 Q CA 2.603 58.393 55.803 -0.022 0.000 0.862 701 Q CB -0.407 28.329 28.738 -0.004 0.000 0.915 701 Q HN 0.924 nan 8.270 nan 0.000 0.416 702 D N -0.172 120.209 120.400 -0.033 0.000 2.213 702 D HA -0.060 4.580 4.640 -0.001 0.000 0.205 702 D C 0.801 177.071 176.300 -0.049 0.000 0.961 702 D CA 0.534 54.516 54.000 -0.030 0.000 0.853 702 D CB -0.227 40.560 40.800 -0.020 0.000 0.967 702 D HN 0.082 nan 8.370 nan 0.000 0.496 703 S N 1.636 117.292 115.700 -0.073 0.000 2.580 703 S HA 0.246 4.716 4.470 -0.001 0.000 0.266 703 S C -2.248 172.268 174.600 -0.140 0.000 1.354 703 S CA -1.067 57.079 58.200 -0.090 0.000 1.008 703 S CB 0.529 63.675 63.200 -0.090 0.000 0.898 703 S HN 0.040 nan 8.310 nan 0.000 0.555 704 P HA 0.168 nan 4.420 nan 0.000 0.274 704 P C -0.705 176.485 177.300 -0.184 0.000 1.237 704 P CA -0.302 62.742 63.100 -0.093 0.000 0.793 704 P CB 0.227 31.915 31.700 -0.020 0.000 0.977 705 H N 0.425 119.484 119.070 -0.018 0.000 2.969 705 H HA 0.163 4.719 4.556 -0.001 0.000 0.269 705 H C -0.089 175.211 175.328 -0.046 0.000 1.223 705 H CA -0.332 55.696 56.048 -0.034 0.000 1.400 705 H CB -0.096 29.648 29.762 -0.030 0.000 1.500 705 H HN 0.086 nan 8.280 nan 0.000 0.486 706 V N 6.843 126.748 119.914 -0.015 0.000 2.479 706 V HA 0.038 4.158 4.120 -0.001 0.000 0.281 706 V C -1.870 174.167 176.094 -0.095 0.000 1.031 706 V CA -1.425 60.847 62.300 -0.048 0.000 1.038 706 V CB 0.598 32.380 31.823 -0.068 0.000 0.981 706 V HN 0.532 nan 8.190 nan 0.000 0.478 707 P HA 0.184 nan 4.420 nan 0.000 0.266 707 P C -0.794 176.350 177.300 -0.260 0.000 1.215 707 P CA 0.250 63.191 63.100 -0.265 0.000 0.763 707 P CB 0.505 31.865 31.700 -0.567 0.000 0.806 708 V N 4.301 124.103 119.914 -0.187 0.000 2.555 708 V HA 0.225 4.344 4.120 -0.001 0.000 0.283 708 V C -0.848 175.156 176.094 -0.151 0.000 1.020 708 V CA -0.405 61.773 62.300 -0.203 0.000 0.883 708 V CB 1.193 32.884 31.823 -0.219 0.000 1.030 708 V HN 0.537 nan 8.190 nan 0.000 0.448 709 H N 4.257 123.170 119.070 -0.261 0.000 2.505 709 H HA 0.624 5.179 4.556 -0.001 0.000 0.338 709 H C -1.203 174.010 175.328 -0.191 0.000 1.057 709 H CA -0.990 54.951 56.048 -0.179 0.000 1.202 709 H CB 1.171 30.869 29.762 -0.106 0.000 1.466 709 H HN 0.455 nan 8.280 nan 0.000 0.499 710 F N 4.215 123.938 119.950 -0.379 0.000 2.412 710 F HA 0.313 4.839 4.527 -0.001 0.000 0.348 710 F C 0.525 175.869 175.800 -0.760 0.000 1.102 710 F CA -0.052 57.661 58.000 -0.478 0.000 1.196 710 F CB 0.817 39.654 39.000 -0.272 0.000 1.144 710 F HN 0.374 nan 8.300 nan 0.000 0.541 711 K N 3.720 123.871 120.400 -0.415 0.000 2.523 711 K HA 0.466 4.785 4.320 -0.001 0.000 0.257 711 K C -1.957 174.379 176.600 -0.440 0.000 0.932 711 K CA -0.626 55.442 56.287 -0.364 0.000 0.812 711 K CB 1.442 33.775 32.500 -0.279 0.000 1.326 711 K HN 0.427 nan 8.250 nan 0.000 0.433 712 F N 3.842 123.710 119.950 -0.137 0.000 2.436 712 F HA 0.501 5.027 4.527 -0.001 0.000 0.340 712 F C -0.385 175.367 175.800 -0.080 0.000 1.113 712 F CA -0.573 57.361 58.000 -0.111 0.000 1.022 712 F CB 1.231 40.150 39.000 -0.135 0.000 1.128 712 F HN 0.252 nan 8.300 nan 0.000 0.466 713 L N 2.686 123.942 121.223 0.055 0.000 2.277 713 L HA 0.634 4.973 4.340 -0.001 0.000 0.254 713 L C -1.144 175.714 176.870 -0.021 0.000 1.044 713 L CA -1.021 53.805 54.840 -0.023 0.000 0.842 713 L CB 2.273 44.258 42.059 -0.124 0.000 1.422 713 L HN 0.484 nan 8.230 nan 0.000 0.422 714 K N -0.343 120.006 120.400 -0.085 0.000 2.427 714 K HA 0.636 4.956 4.320 -0.001 0.000 0.252 714 K C -1.804 174.729 176.600 -0.112 0.000 0.931 714 K CA -0.783 55.485 56.287 -0.032 0.000 0.793 714 K CB 1.750 34.263 32.500 0.022 0.000 1.211 714 K HN 0.290 nan 8.250 nan 0.000 0.426 715 Y N 0.589 120.948 120.300 0.098 0.000 2.419 715 Y HA 0.516 5.065 4.550 -0.001 0.000 0.328 715 Y C 1.014 176.970 175.900 0.093 0.000 1.162 715 Y CA -0.100 58.069 58.100 0.115 0.000 1.174 715 Y CB 2.207 40.804 38.460 0.229 0.000 1.228 715 Y HN 0.917 nan 8.280 nan 0.000 0.473 716 G N 0.457 109.401 108.800 0.240 0.000 2.971 716 G HA2 0.631 4.590 3.960 -0.001 0.000 0.235 716 G HA3 0.631 4.590 3.960 -0.001 0.000 0.235 716 G C -1.475 173.497 174.900 0.121 0.000 1.351 716 G CA -0.716 44.470 45.100 0.143 0.000 1.039 716 G HN 0.432 nan 8.290 nan 0.000 0.563 717 V N -0.140 119.814 119.914 0.067 0.000 2.864 717 V HA 0.463 4.583 4.120 -0.001 0.000 0.314 717 V C -0.048 176.044 176.094 -0.003 0.000 1.073 717 V CA -0.869 61.450 62.300 0.032 0.000 0.956 717 V CB 1.956 33.800 31.823 0.036 0.000 1.023 717 V HN 0.680 nan 8.190 nan 0.000 0.435 718 R N 1.357 121.830 120.500 -0.046 0.000 2.590 718 R HA 0.186 4.525 4.340 -0.001 0.000 0.274 718 R C 1.156 177.415 176.300 -0.068 0.000 1.061 718 R CA 0.444 56.486 56.100 -0.097 0.000 1.081 718 R CB 0.575 30.762 30.300 -0.188 0.000 0.984 718 R HN 0.910 nan 8.270 nan 0.000 0.448 719 S N 1.014 116.687 115.700 -0.046 0.000 2.528 719 S HA -0.043 4.426 4.470 -0.001 0.000 0.219 719 S C 0.245 174.883 174.600 0.062 0.000 0.985 719 S CA 0.017 58.228 58.200 0.019 0.000 0.914 719 S CB -0.281 62.951 63.200 0.053 0.000 0.776 719 S HN 0.832 nan 8.310 nan 0.000 0.526 720 H N -1.708 117.363 119.070 0.003 0.000 2.851 720 H HA 0.733 5.288 4.556 -0.001 0.000 0.372 720 H C 0.321 175.647 175.328 -0.003 0.000 1.158 720 H CA -0.249 55.799 56.048 -0.000 0.000 1.159 720 H CB 1.152 30.913 29.762 -0.001 0.000 1.757 720 H HN 0.413 nan 8.280 nan 0.000 0.546 721 G N 1.535 110.350 108.800 0.026 0.000 2.615 721 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.218 721 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.218 721 G C -1.191 173.676 174.900 -0.054 0.000 1.339 721 G CA -0.322 44.757 45.100 -0.034 0.000 0.884 721 G HN 0.880 nan 8.290 nan 0.000 0.559 722 D N 1.486 121.850 120.400 -0.060 0.000 2.389 722 D HA 0.423 5.062 4.640 -0.001 0.000 0.247 722 D C 0.982 177.247 176.300 -0.058 0.000 1.128 722 D CA 0.310 54.280 54.000 -0.050 0.000 0.884 722 D CB 0.541 41.313 40.800 -0.046 0.000 1.194 722 D HN 0.493 nan 8.370 nan 0.000 0.441 723 R N 1.230 121.707 120.500 -0.038 0.000 2.474 723 R HA 0.353 4.692 4.340 -0.001 0.000 0.295 723 R C 0.082 176.372 176.300 -0.017 0.000 0.980 723 R CA -0.704 55.381 56.100 -0.026 0.000 0.934 723 R CB 1.206 31.501 30.300 -0.009 0.000 1.101 723 R HN 0.298 nan 8.270 nan 0.000 0.469 724 S N 0.385 116.086 115.700 0.002 0.000 2.568 724 S HA 0.329 4.799 4.470 -0.001 0.000 0.282 724 S C 0.498 175.117 174.600 0.031 0.000 1.338 724 S CA 0.016 58.234 58.200 0.031 0.000 1.045 724 S CB 1.190 64.441 63.200 0.084 0.000 0.873 724 S HN 0.784 nan 8.310 nan 0.000 0.516 725 G N -0.083 108.736 108.800 0.032 0.000 2.815 725 G HA2 0.589 4.549 3.960 -0.001 0.000 0.305 725 G HA3 0.589 4.549 3.960 -0.001 0.000 0.305 725 G C 0.569 175.488 174.900 0.031 0.000 1.277 725 G CA -0.117 45.008 45.100 0.041 0.000 0.795 725 G HN 0.706 nan 8.290 nan 0.000 0.528 726 A N -1.227 121.601 122.820 0.012 0.000 1.978 726 A HA 0.049 4.368 4.320 -0.001 0.000 0.220 726 A C 1.952 179.448 177.584 -0.147 0.000 1.170 726 A CA 2.098 54.084 52.037 -0.085 0.000 0.636 726 A CB -0.671 18.213 19.000 -0.193 0.000 0.810 726 A HN 0.597 nan 8.150 nan 0.000 0.448 727 Y N -0.698 119.536 120.300 -0.111 0.000 2.266 727 Y HA 0.320 4.870 4.550 -0.001 0.000 0.294 727 Y C 0.920 176.712 175.900 -0.181 0.000 1.127 727 Y CA 0.105 58.064 58.100 -0.236 0.000 1.140 727 Y CB -0.236 37.720 38.460 -0.839 0.000 1.071 727 Y HN 0.032 nan 8.280 nan 0.000 0.525 728 L N 0.489 121.673 121.223 -0.065 0.000 2.312 728 L HA 0.217 4.557 4.340 -0.001 0.000 0.281 728 L C -0.913 176.010 176.870 0.089 0.000 1.070 728 L CA -0.338 54.473 54.840 -0.049 0.000 0.805 728 L CB 1.106 43.085 42.059 -0.133 0.000 1.174 728 L HN 0.107 nan 8.230 nan 0.000 0.434 729 F N 4.915 124.812 119.950 -0.087 0.000 2.375 729 F HA 0.478 5.004 4.527 -0.001 0.000 0.361 729 F C -0.600 175.123 175.800 -0.129 0.000 1.117 729 F CA -0.765 57.143 58.000 -0.155 0.000 1.037 729 F CB 0.698 39.541 39.000 -0.261 0.000 1.192 729 F HN 0.322 nan 8.300 nan 0.000 0.452 730 L N 8.946 130.071 121.223 -0.165 0.000 2.556 730 L HA 0.325 4.665 4.340 -0.001 0.000 0.243 730 L C -2.309 174.383 176.870 -0.296 0.000 1.331 730 L CA -1.876 52.812 54.840 -0.254 0.000 0.927 730 L CB 0.869 42.863 42.059 -0.109 0.000 1.219 730 L HN 0.420 nan 8.230 nan 0.000 0.490 731 P HA 0.017 nan 4.420 nan 0.000 0.269 731 P C -0.503 176.711 177.300 -0.144 0.000 1.215 731 P CA -0.225 62.684 63.100 -0.318 0.000 0.780 731 P CB 0.570 31.949 31.700 -0.534 0.000 0.898 732 N N 1.099 119.786 118.700 -0.021 0.000 3.250 732 N HA 0.284 5.024 4.740 -0.001 0.000 0.307 732 N C 0.680 176.201 175.510 0.018 0.000 1.355 732 N CA -0.169 52.870 53.050 -0.018 0.000 1.192 732 N CB -0.788 37.698 38.487 -0.002 0.000 1.478 732 N HN 0.751 nan 8.380 nan 0.000 0.543 733 G N 0.813 109.620 108.800 0.011 0.000 2.655 733 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.680 733 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.680 733 G C -3.015 171.956 174.900 0.118 0.000 1.302 733 G CA -1.126 43.998 45.100 0.039 0.000 0.872 733 G HN 0.370 nan 8.290 nan 0.000 0.540 734 P HA 0.439 nan 4.420 nan 0.000 0.267 734 P C 0.555 177.813 177.300 -0.069 0.000 1.201 734 P CA 0.716 63.871 63.100 0.093 0.000 0.775 734 P CB 0.374 32.097 31.700 0.039 0.000 0.854 735 A N 2.228 124.819 122.820 -0.381 0.000 2.425 735 A HA 0.363 4.683 4.320 -0.001 0.000 0.242 735 A C 0.208 177.638 177.584 -0.256 0.000 1.077 735 A CA 0.322 51.980 52.037 -0.633 0.000 0.781 735 A CB -0.223 18.129 19.000 -1.081 0.000 1.020 735 A HN 0.478 nan 8.150 nan 0.000 0.494 736 S N 2.354 117.942 115.700 -0.187 0.000 2.509 736 S HA 0.584 5.053 4.470 -0.001 0.000 0.297 736 S C -2.690 171.870 174.600 -0.068 0.000 1.118 736 S CA -1.021 57.126 58.200 -0.088 0.000 1.074 736 S CB 1.295 64.467 63.200 -0.047 0.000 1.038 736 S HN 0.572 nan 8.310 nan 0.000 0.498 737 P HA 0.104 nan 4.420 nan 0.000 0.268 737 P C -0.723 176.582 177.300 0.008 0.000 1.205 737 P CA -0.321 62.774 63.100 -0.008 0.000 0.771 737 P CB 0.295 32.002 31.700 0.011 0.000 0.858 738 V N 3.851 123.782 119.914 0.029 0.000 2.572 738 V HA -0.021 4.098 4.120 -0.001 0.000 0.291 738 V C 0.958 177.067 176.094 0.024 0.000 1.039 738 V CA 0.207 62.523 62.300 0.027 0.000 1.055 738 V CB -0.228 31.619 31.823 0.040 0.000 0.969 738 V HN 0.520 nan 8.190 nan 0.000 0.482 739 E N 4.552 124.761 120.200 0.015 0.000 2.217 739 E HA 0.137 4.486 4.350 -0.001 0.000 0.279 739 E C 0.475 177.083 176.600 0.013 0.000 1.068 739 E CA -0.170 56.240 56.400 0.018 0.000 0.882 739 E CB 0.808 30.517 29.700 0.015 0.000 1.039 739 E HN 0.554 nan 8.360 nan 0.000 0.418 740 L N 2.730 123.967 121.223 0.023 0.000 2.446 740 L HA 0.112 4.451 4.340 -0.001 0.000 0.219 740 L C 1.365 178.249 176.870 0.023 0.000 1.116 740 L CA 0.426 55.277 54.840 0.018 0.000 0.844 740 L CB -0.660 41.419 42.059 0.034 0.000 0.970 740 L HN 0.852 nan 8.230 nan 0.000 0.457 741 G N 0.761 109.579 108.800 0.030 0.000 2.552 741 G HA2 -0.396 3.563 3.960 -0.001 0.000 0.265 741 G HA3 -0.396 3.563 3.960 -0.001 0.000 0.265 741 G C -0.026 174.899 174.900 0.042 0.000 1.234 741 G CA 0.149 45.270 45.100 0.035 0.000 0.944 741 G HN 0.342 nan 8.290 nan 0.000 0.568 742 Q N 1.576 121.405 119.800 0.048 0.000 2.644 742 Q HA 0.481 4.821 4.340 -0.001 0.000 0.245 742 Q C -2.072 173.967 176.000 0.065 0.000 1.064 742 Q CA -1.622 54.213 55.803 0.054 0.000 0.860 742 Q CB 1.176 29.944 28.738 0.049 0.000 1.145 742 Q HN 0.638 nan 8.270 nan 0.000 0.515 743 P HA 0.042 nan 4.420 nan 0.000 0.272 743 P C -0.524 176.843 177.300 0.111 0.000 1.223 743 P CA -0.273 62.876 63.100 0.082 0.000 0.784 743 P CB 1.123 32.853 31.700 0.049 0.000 0.923 744 V N 2.376 122.392 119.914 0.170 0.000 2.488 744 V HA 0.120 4.239 4.120 -0.001 0.000 0.277 744 V C 0.545 176.791 176.094 0.254 0.000 1.046 744 V CA -0.228 62.195 62.300 0.205 0.000 0.986 744 V CB 1.180 33.162 31.823 0.266 0.000 0.989 744 V HN 0.267 nan 8.190 nan 0.000 0.475 745 V N 6.430 126.438 119.914 0.156 0.000 2.448 745 V HA 0.473 4.592 4.120 -0.001 0.000 0.295 745 V C -0.407 175.708 176.094 0.035 0.000 1.025 745 V CA -0.632 61.738 62.300 0.117 0.000 0.859 745 V CB 1.686 33.539 31.823 0.050 0.000 0.988 745 V HN 0.672 nan 8.190 nan 0.000 0.431 746 L N 6.668 127.906 121.223 0.024 0.000 2.313 746 L HA 0.737 5.077 4.340 -0.001 0.000 0.283 746 L C -0.632 176.129 176.870 -0.182 0.000 1.013 746 L CA 0.001 54.731 54.840 -0.182 0.000 0.816 746 L CB 1.773 43.623 42.059 -0.349 0.000 1.236 746 L HN 0.436 nan 8.230 nan 0.000 0.419 747 V N 4.130 123.928 119.914 -0.193 0.000 2.384 747 V HA 0.541 4.660 4.120 -0.001 0.000 0.287 747 V C -0.013 176.015 176.094 -0.109 0.000 1.020 747 V CA -0.399 61.809 62.300 -0.154 0.000 0.850 747 V CB 1.576 33.325 31.823 -0.124 0.000 0.987 747 V HN 0.847 nan 8.190 nan 0.000 0.436 748 T N 5.412 119.931 114.554 -0.059 0.000 2.779 748 T HA 0.436 4.785 4.350 -0.001 0.000 0.280 748 T C -0.389 174.341 174.700 0.050 0.000 0.987 748 T CA -0.547 61.572 62.100 0.033 0.000 0.966 748 T CB 1.117 70.043 68.868 0.097 0.000 0.933 748 T HN 0.650 nan 8.240 nan 0.000 0.442 749 K N 2.388 122.834 120.400 0.077 0.000 2.413 749 K HA 0.688 5.007 4.320 -0.001 0.000 0.257 749 K C -0.389 176.271 176.600 0.100 0.000 0.946 749 K CA -0.582 55.750 56.287 0.076 0.000 0.823 749 K CB 1.066 33.604 32.500 0.063 0.000 1.109 749 K HN 0.792 nan 8.250 nan 0.000 0.427 750 G N 2.201 111.056 108.800 0.093 0.000 2.680 750 G HA2 0.174 4.133 3.960 -0.001 0.000 0.290 750 G HA3 0.174 4.133 3.960 -0.001 0.000 0.290 750 G C -0.261 174.684 174.900 0.075 0.000 1.355 750 G CA -0.614 44.542 45.100 0.094 0.000 0.903 750 G HN 0.654 nan 8.290 nan 0.000 0.474 751 K N -0.390 120.050 120.400 0.066 0.000 2.097 751 K HA 0.123 4.442 4.320 -0.001 0.000 0.205 751 K C 1.765 178.401 176.600 0.059 0.000 1.050 751 K CA 1.031 57.353 56.287 0.058 0.000 0.938 751 K CB -0.153 32.377 32.500 0.050 0.000 0.718 751 K HN 0.425 nan 8.250 nan 0.000 0.442 752 L N -0.637 120.623 121.223 0.062 0.000 2.408 752 L HA 0.197 4.537 4.340 -0.001 0.000 0.215 752 L C 0.590 177.496 176.870 0.060 0.000 1.081 752 L CA 0.110 54.986 54.840 0.061 0.000 0.840 752 L CB 0.355 42.454 42.059 0.066 0.000 1.002 752 L HN 0.172 nan 8.230 nan 0.000 0.468 753 E N -0.357 119.884 120.200 0.068 0.000 2.321 753 E HA 0.400 4.750 4.350 -0.001 0.000 0.281 753 E C -1.495 175.151 176.600 0.077 0.000 0.910 753 E CA -0.221 56.220 56.400 0.068 0.000 0.770 753 E CB 2.173 31.912 29.700 0.066 0.000 1.225 753 E HN -0.133 nan 8.360 nan 0.000 0.417 754 S N 1.317 117.060 115.700 0.071 0.000 2.599 754 S HA 0.774 5.244 4.470 -0.001 0.000 0.294 754 S C -1.336 173.291 174.600 0.046 0.000 1.094 754 S CA -0.681 57.557 58.200 0.063 0.000 0.931 754 S CB 1.855 65.093 63.200 0.065 0.000 1.093 754 S HN 0.548 nan 8.310 nan 0.000 0.488 755 S N 0.541 116.245 115.700 0.007 0.000 2.565 755 S HA 0.701 5.170 4.470 -0.001 0.000 0.269 755 S C -2.006 172.509 174.600 -0.143 0.000 1.153 755 S CA -0.586 57.593 58.200 -0.036 0.000 0.835 755 S CB 1.093 64.294 63.200 0.002 0.000 1.122 755 S HN 0.467 nan 8.310 nan 0.000 0.462 756 V N 2.699 122.467 119.914 -0.243 0.000 2.444 756 V HA 0.727 4.847 4.120 -0.001 0.000 0.294 756 V C -0.408 175.559 176.094 -0.212 0.000 1.022 756 V CA -0.453 61.633 62.300 -0.356 0.000 0.850 756 V CB 1.532 32.825 31.823 -0.884 0.000 0.992 756 V HN 0.927 nan 8.190 nan 0.000 0.426 757 S N 3.183 118.816 115.700 -0.111 0.000 2.526 757 S HA 0.795 5.265 4.470 -0.001 0.000 0.293 757 S C -0.865 173.689 174.600 -0.076 0.000 1.092 757 S CA -0.623 57.523 58.200 -0.089 0.000 0.980 757 S CB 2.172 65.421 63.200 0.082 0.000 1.048 757 S HN 0.669 nan 8.310 nan 0.000 0.483 758 V N 1.937 121.682 119.914 -0.282 0.000 2.760 758 V HA 0.818 4.937 4.120 -0.001 0.000 0.309 758 V C -0.103 175.642 176.094 -0.581 0.000 1.077 758 V CA -0.419 61.732 62.300 -0.249 0.000 0.910 758 V CB 1.823 33.624 31.823 -0.037 0.000 1.008 758 V HN 0.995 nan 8.190 nan 0.000 0.424 759 G N 6.929 115.416 108.800 -0.520 0.000 2.546 759 G HA2 0.541 4.500 3.960 -0.001 0.000 0.320 759 G HA3 0.541 4.500 3.960 -0.001 0.000 0.320 759 G C -0.575 174.205 174.900 -0.199 0.000 0.984 759 G CA -0.332 44.495 45.100 -0.456 0.000 1.183 759 G HN 0.704 nan 8.290 nan 0.000 0.443 760 L N 2.655 123.716 121.223 -0.269 0.000 2.387 760 L HA 0.417 4.757 4.340 -0.001 0.000 0.266 760 L C -2.052 174.692 176.870 -0.211 0.000 1.059 760 L CA -2.385 52.324 54.840 -0.220 0.000 0.801 760 L CB 1.858 43.715 42.059 -0.338 0.000 1.223 760 L HN 0.197 nan 8.230 nan 0.000 0.456 761 P HA 0.081 nan 4.420 nan 0.000 0.267 761 P C 0.032 177.223 177.300 -0.183 0.000 1.209 761 P CA 0.384 63.394 63.100 -0.149 0.000 0.763 761 P CB 0.945 32.587 31.700 -0.097 0.000 0.816 762 S N -0.238 115.356 115.700 -0.176 0.000 2.929 762 S HA -0.117 4.353 4.470 -0.001 0.000 0.271 762 S C 0.214 174.693 174.600 -0.202 0.000 1.295 762 S CA 1.260 59.365 58.200 -0.158 0.000 1.277 762 S CB -1.603 61.532 63.200 -0.107 0.000 1.557 762 S HN 0.403 nan 8.310 nan 0.000 0.666 763 V N 1.211 120.947 119.914 -0.298 0.000 2.655 763 V HA 0.450 4.570 4.120 -0.001 0.000 0.301 763 V C -0.233 175.621 176.094 -0.400 0.000 1.082 763 V CA -0.809 61.273 62.300 -0.364 0.000 0.899 763 V CB 2.111 33.556 31.823 -0.630 0.000 1.014 763 V HN 0.099 nan 8.190 nan 0.000 0.429 764 V N 4.058 123.749 119.914 -0.372 0.000 2.368 764 V HA 0.324 4.444 4.120 -0.001 0.000 0.266 764 V C -0.177 175.699 176.094 -0.363 0.000 1.045 764 V CA -0.344 61.631 62.300 -0.541 0.000 0.899 764 V CB 0.811 32.200 31.823 -0.724 0.000 1.006 764 V HN 0.920 nan 8.190 nan 0.000 0.470 765 H N 4.543 123.349 119.070 -0.440 0.000 2.488 765 H HA 0.570 5.125 4.556 -0.001 0.000 0.322 765 H C -0.350 174.860 175.328 -0.196 0.000 1.078 765 H CA -0.150 55.742 56.048 -0.259 0.000 1.260 765 H CB 1.122 30.756 29.762 -0.213 0.000 1.425 765 H HN 0.694 nan 8.280 nan 0.000 0.471 766 Q N 4.033 123.535 119.800 -0.496 0.000 2.323 766 Q HA 0.384 4.723 4.340 -0.001 0.000 0.271 766 Q C -1.346 174.453 176.000 -0.335 0.000 1.048 766 Q CA -0.901 54.696 55.803 -0.343 0.000 0.792 766 Q CB 1.556 30.195 28.738 -0.165 0.000 1.280 766 Q HN 0.729 nan 8.270 nan 0.000 0.441 767 T N 5.040 119.476 114.554 -0.196 0.000 2.772 767 T HA 0.525 4.874 4.350 -0.001 0.000 0.288 767 T C -0.327 174.400 174.700 0.044 0.000 0.994 767 T CA -0.322 61.780 62.100 0.003 0.000 0.951 767 T CB 0.286 69.316 68.868 0.270 0.000 0.933 767 T HN 0.468 nan 8.240 nan 0.000 0.447 768 I N 3.747 124.356 120.570 0.065 0.000 2.404 768 I HA 0.488 4.657 4.170 -0.001 0.000 0.293 768 I C -0.226 175.944 176.117 0.089 0.000 0.992 768 I CA -0.771 60.567 61.300 0.064 0.000 1.149 768 I CB 1.713 39.741 38.000 0.047 0.000 1.315 768 I HN 0.389 nan 8.210 nan 0.000 0.446 769 M N 5.944 125.597 119.600 0.088 0.000 2.253 769 M HA 0.480 4.959 4.480 -0.001 0.000 0.314 769 M C 0.171 176.514 176.300 0.071 0.000 1.019 769 M CA -0.313 55.042 55.300 0.092 0.000 0.932 769 M CB 2.144 34.814 32.600 0.116 0.000 1.606 769 M HN 0.476 nan 8.290 nan 0.000 0.430 770 R N 1.119 121.655 120.500 0.061 0.000 2.572 770 R HA 0.364 4.704 4.340 -0.001 0.000 0.370 770 R C 0.803 177.131 176.300 0.048 0.000 1.005 770 R CA 0.243 56.373 56.100 0.050 0.000 1.146 770 R CB 1.117 31.439 30.300 0.038 0.000 1.390 770 R HN 1.137 nan 8.270 nan 0.000 0.553 771 G N -0.409 108.421 108.800 0.051 0.000 2.255 771 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.196 771 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.196 771 G C 0.296 175.218 174.900 0.037 0.000 0.998 771 G CA -0.399 44.727 45.100 0.044 0.000 0.656 771 G HN 0.516 nan 8.290 nan 0.000 0.490 772 G N -0.039 108.783 108.800 0.037 0.000 3.252 772 G HA2 0.795 4.754 3.960 -0.001 0.000 0.181 772 G HA3 0.795 4.754 3.960 -0.001 0.000 0.181 772 G C 0.403 175.324 174.900 0.035 0.000 1.187 772 G CA 0.471 45.588 45.100 0.029 0.000 0.886 772 G HN 1.515 nan 8.290 nan 0.000 0.615 773 A N 1.409 124.247 122.820 0.030 0.000 2.540 773 A HA 0.529 4.849 4.320 -0.001 0.000 0.239 773 A C -1.743 175.879 177.584 0.063 0.000 1.061 773 A CA -0.482 51.579 52.037 0.039 0.000 0.758 773 A CB -0.400 18.620 19.000 0.033 0.000 0.991 773 A HN 0.398 nan 8.150 nan 0.000 0.502 774 P HA 0.125 nan 4.420 nan 0.000 0.272 774 P C -0.501 176.870 177.300 0.120 0.000 1.230 774 P CA -0.171 62.996 63.100 0.111 0.000 0.788 774 P CB 0.665 32.455 31.700 0.149 0.000 0.949 775 E N 1.431 121.698 120.200 0.112 0.000 2.175 775 E HA 0.380 4.730 4.350 -0.001 0.000 0.278 775 E C -0.778 175.898 176.600 0.127 0.000 0.969 775 E CA -0.725 55.745 56.400 0.116 0.000 0.796 775 E CB 0.583 30.328 29.700 0.076 0.000 1.104 775 E HN 0.218 nan 8.360 nan 0.000 0.395 776 I N 4.138 124.816 120.570 0.181 0.000 2.404 776 I HA 0.415 4.584 4.170 -0.001 0.000 0.293 776 I C -0.026 176.213 176.117 0.203 0.000 0.992 776 I CA -0.629 60.757 61.300 0.142 0.000 1.149 776 I CB 1.305 39.400 38.000 0.159 0.000 1.315 776 I HN 0.570 nan 8.210 nan 0.000 0.446 777 R N 4.572 125.119 120.500 0.080 0.000 2.513 777 R HA 0.488 4.827 4.340 -0.001 0.000 0.301 777 R C -0.966 175.382 176.300 0.081 0.000 0.968 777 R CA -0.839 55.321 56.100 0.100 0.000 0.872 777 R CB 2.050 32.366 30.300 0.026 0.000 1.177 777 R HN 0.466 nan 8.270 nan 0.000 0.444 778 N N 2.620 121.427 118.700 0.179 0.000 2.407 778 N HA 0.204 4.944 4.740 -0.001 0.000 0.277 778 N C -1.285 174.234 175.510 0.015 0.000 0.995 778 N CA -0.704 52.424 53.050 0.131 0.000 0.903 778 N CB 1.913 40.583 38.487 0.304 0.000 1.218 778 N HN 0.318 nan 8.380 nan 0.000 0.487 779 L N 3.739 124.911 121.223 -0.084 0.000 2.268 779 L HA 0.380 4.720 4.340 -0.001 0.000 0.289 779 L C -0.998 175.796 176.870 -0.126 0.000 1.064 779 L CA -0.490 54.281 54.840 -0.115 0.000 0.824 779 L CB 0.491 42.471 42.059 -0.132 0.000 1.202 779 L HN 0.211 nan 8.230 nan 0.000 0.433 780 V N 4.582 124.425 119.914 -0.118 0.000 2.350 780 V HA 0.385 4.505 4.120 -0.001 0.000 0.276 780 V C -0.446 175.603 176.094 -0.074 0.000 1.028 780 V CA -0.498 61.749 62.300 -0.088 0.000 0.860 780 V CB 1.297 33.097 31.823 -0.039 0.000 0.990 780 V HN 0.694 nan 8.190 nan 0.000 0.453 781 D N 4.033 124.390 120.400 -0.072 0.000 2.375 781 D HA 0.254 4.894 4.640 -0.001 0.000 0.259 781 D C 0.553 176.827 176.300 -0.044 0.000 1.235 781 D CA -0.419 53.550 54.000 -0.051 0.000 0.924 781 D CB 1.308 42.074 40.800 -0.057 0.000 1.143 781 D HN 0.466 nan 8.370 nan 0.000 0.529 782 I N 2.349 122.910 120.570 -0.015 0.000 3.083 782 I HA 0.030 4.200 4.170 -0.001 0.000 0.273 782 I C 1.410 177.522 176.117 -0.008 0.000 1.297 782 I CA 1.154 62.452 61.300 -0.004 0.000 1.452 782 I CB -0.238 37.779 38.000 0.028 0.000 1.078 782 I HN 0.622 nan 8.210 nan 0.000 0.484 783 G N 0.834 109.627 108.800 -0.012 0.000 2.622 783 G HA2 -0.443 3.516 3.960 -0.001 0.000 0.307 783 G HA3 -0.443 3.516 3.960 -0.001 0.000 0.307 783 G C 0.588 175.491 174.900 0.005 0.000 1.226 783 G CA 0.541 45.636 45.100 -0.009 0.000 0.997 783 G HN 0.685 nan 8.290 nan 0.000 0.551 784 S N -0.102 115.601 115.700 0.005 0.000 2.574 784 S HA 0.541 5.011 4.470 -0.001 0.000 0.242 784 S C 0.781 175.391 174.600 0.016 0.000 0.982 784 S CA 0.023 58.232 58.200 0.014 0.000 0.977 784 S CB 0.115 63.325 63.200 0.016 0.000 0.814 784 S HN 0.677 nan 8.310 nan 0.000 0.464 785 L N 3.024 124.255 121.223 0.014 0.000 2.505 785 L HA 0.257 4.597 4.340 -0.001 0.000 0.279 785 L C -0.325 176.563 176.870 0.031 0.000 1.211 785 L CA -0.289 54.563 54.840 0.019 0.000 1.059 785 L CB -0.711 41.358 42.059 0.016 0.000 1.340 785 L HN 0.141 nan 8.230 nan 0.000 0.447 786 D N 2.802 123.221 120.400 0.031 0.000 2.423 786 D HA -0.005 4.635 4.640 -0.001 0.000 0.238 786 D C 0.696 177.021 176.300 0.043 0.000 1.142 786 D CA 0.280 54.302 54.000 0.036 0.000 0.884 786 D CB 0.329 41.148 40.800 0.031 0.000 1.199 786 D HN 0.325 nan 8.370 nan 0.000 0.438 787 N N 0.506 119.235 118.700 0.049 0.000 2.725 787 N HA -0.177 4.562 4.740 -0.001 0.000 0.251 787 N C -0.933 174.621 175.510 0.073 0.000 1.031 787 N CA 0.852 53.936 53.050 0.058 0.000 0.720 787 N CB -1.213 37.303 38.487 0.048 0.000 0.930 787 N HN 0.288 nan 8.380 nan 0.000 0.543 788 T N 0.485 115.086 114.554 0.078 0.000 2.916 788 T HA 0.407 4.757 4.350 -0.001 0.000 0.298 788 T C -0.300 174.466 174.700 0.110 0.000 1.031 788 T CA -0.710 61.447 62.100 0.095 0.000 0.993 788 T CB 2.347 71.256 68.868 0.070 0.000 1.045 788 T HN 0.029 nan 8.240 nan 0.000 0.454 789 E N 2.468 122.763 120.200 0.158 0.000 2.191 789 E HA 0.446 4.796 4.350 -0.001 0.000 0.263 789 E C -0.779 175.937 176.600 0.193 0.000 0.881 789 E CA -0.629 55.862 56.400 0.152 0.000 0.757 789 E CB 2.318 32.090 29.700 0.120 0.000 1.147 789 E HN 0.484 nan 8.360 nan 0.000 0.414 790 I N 2.779 123.446 120.570 0.162 0.000 2.331 790 I HA 0.227 4.397 4.170 -0.001 0.000 0.292 790 I C -0.244 176.004 176.117 0.217 0.000 0.998 790 I CA -0.786 60.621 61.300 0.178 0.000 1.267 790 I CB 1.446 39.540 38.000 0.157 0.000 1.386 790 I HN 0.195 nan 8.210 nan 0.000 0.476 791 V N 8.084 128.125 119.914 0.212 0.000 2.628 791 V HA 0.498 4.617 4.120 -0.001 0.000 0.306 791 V C -0.439 175.674 176.094 0.032 0.000 1.045 791 V CA -0.718 61.690 62.300 0.181 0.000 0.905 791 V CB 1.981 33.974 31.823 0.283 0.000 0.997 791 V HN 0.751 nan 8.190 nan 0.000 0.436 792 M N 7.351 126.896 119.600 -0.093 0.000 2.129 792 M HA 0.568 5.047 4.480 -0.001 0.000 0.348 792 M C -0.560 175.582 176.300 -0.263 0.000 1.116 792 M CA -0.413 54.599 55.300 -0.479 0.000 1.022 792 M CB 0.589 32.871 32.600 -0.529 0.000 1.599 792 M HN 0.761 nan 8.290 nan 0.000 0.449 793 R N 4.659 124.991 120.500 -0.280 0.000 2.711 793 R HA 0.705 5.045 4.340 -0.001 0.000 0.284 793 R C -1.992 174.211 176.300 -0.162 0.000 0.968 793 R CA -0.645 55.361 56.100 -0.157 0.000 0.924 793 R CB 1.559 31.783 30.300 -0.127 0.000 1.162 793 R HN 0.811 nan 8.270 nan 0.000 0.465 794 L N 3.194 124.305 121.223 -0.186 0.000 2.313 794 L HA 0.424 4.764 4.340 -0.001 0.000 0.283 794 L C -0.550 176.204 176.870 -0.193 0.000 1.013 794 L CA -0.419 54.240 54.840 -0.303 0.000 0.816 794 L CB 1.951 43.785 42.059 -0.376 0.000 1.236 794 L HN 0.613 nan 8.230 nan 0.000 0.419 795 E N 2.188 122.289 120.200 -0.165 0.000 2.145 795 E HA 0.499 4.848 4.350 -0.001 0.000 0.270 795 E C -0.575 175.965 176.600 -0.100 0.000 0.906 795 E CA -0.472 55.883 56.400 -0.074 0.000 0.761 795 E CB 2.105 31.812 29.700 0.011 0.000 1.116 795 E HN 0.614 nan 8.360 nan 0.000 0.408 796 T N -1.242 113.262 114.554 -0.084 0.000 2.831 796 T HA 0.312 4.662 4.350 -0.001 0.000 0.287 796 T C 0.372 175.068 174.700 -0.007 0.000 1.070 796 T CA -0.591 61.427 62.100 -0.137 0.000 1.010 796 T CB 1.090 69.893 68.868 -0.108 0.000 1.264 796 T HN 0.562 nan 8.240 nan 0.000 0.532 797 H N -0.776 118.283 119.070 -0.017 0.000 2.547 797 H HA 0.397 4.952 4.556 -0.001 0.000 0.272 797 H C 0.502 175.829 175.328 -0.002 0.000 0.971 797 H CA -0.440 55.603 56.048 -0.008 0.000 1.245 797 H CB 0.089 29.846 29.762 -0.008 0.000 1.440 797 H HN 0.360 nan 8.280 nan 0.000 0.540 798 I N 2.506 123.131 120.570 0.091 0.000 3.076 798 I HA -0.210 3.959 4.170 -0.001 0.000 0.321 798 I C 0.450 176.609 176.117 0.069 0.000 1.216 798 I CA 0.537 61.875 61.300 0.064 0.000 1.460 798 I CB 0.210 38.236 38.000 0.044 0.000 1.313 798 I HN 0.264 nan 8.210 nan 0.000 0.546 799 D N 5.033 125.471 120.400 0.063 0.000 2.713 799 D HA 0.045 4.685 4.640 -0.001 0.000 0.229 799 D C 1.258 177.598 176.300 0.066 0.000 1.136 799 D CA 0.027 54.061 54.000 0.057 0.000 1.010 799 D CB 0.290 41.117 40.800 0.045 0.000 1.084 799 D HN 0.547 nan 8.370 nan 0.000 0.495 800 S N 0.196 115.942 115.700 0.076 0.000 2.496 800 S HA 0.208 4.678 4.470 -0.001 0.000 0.224 800 S C 1.616 176.268 174.600 0.086 0.000 0.996 800 S CA 0.319 58.578 58.200 0.097 0.000 0.927 800 S CB -0.220 63.049 63.200 0.115 0.000 0.774 800 S HN 0.526 nan 8.310 nan 0.000 0.524 801 G N 3.163 112.003 108.800 0.067 0.000 2.565 801 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.295 801 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.295 801 G C 0.133 175.075 174.900 0.069 0.000 1.165 801 G CA 0.575 45.711 45.100 0.059 0.000 0.977 801 G HN 0.775 nan 8.290 nan 0.000 0.546 802 D N 0.183 120.628 120.400 0.075 0.000 2.440 802 D HA 0.353 4.993 4.640 -0.001 0.000 0.216 802 D C 0.668 177.048 176.300 0.134 0.000 1.150 802 D CA -0.217 53.844 54.000 0.102 0.000 0.832 802 D CB 0.258 41.103 40.800 0.076 0.000 0.992 802 D HN 0.453 nan 8.370 nan 0.000 0.502 803 I N 1.478 122.114 120.570 0.109 0.000 2.460 803 I HA 0.502 4.672 4.170 -0.001 0.000 0.298 803 I C -0.137 176.067 176.117 0.146 0.000 0.989 803 I CA -1.114 60.198 61.300 0.020 0.000 1.173 803 I CB 0.689 38.672 38.000 -0.029 0.000 1.338 803 I HN 0.010 nan 8.210 nan 0.000 0.456 804 F N 4.230 124.007 119.950 -0.288 0.000 2.711 804 F HA 0.693 5.219 4.527 -0.001 0.000 0.313 804 F C -2.065 173.389 175.800 -0.577 0.000 1.141 804 F CA -1.153 56.699 58.000 -0.246 0.000 0.941 804 F CB 1.572 40.497 39.000 -0.125 0.000 1.349 804 F HN 0.172 nan 8.300 nan 0.000 0.464 805 Y N 0.210 120.287 120.300 -0.372 0.000 2.425 805 Y HA 0.672 5.221 4.550 -0.001 0.000 0.344 805 Y C -0.049 175.677 175.900 -0.290 0.000 0.969 805 Y CA -0.759 56.982 58.100 -0.597 0.000 1.052 805 Y CB 2.448 40.127 38.460 -1.301 0.000 1.215 805 Y HN 0.867 nan 8.280 nan 0.000 0.451 806 T N -1.263 113.219 114.554 -0.120 0.000 2.906 806 T HA 0.481 4.831 4.350 -0.001 0.000 0.295 806 T C -1.054 173.471 174.700 -0.291 0.000 1.075 806 T CA -1.067 60.980 62.100 -0.088 0.000 1.005 806 T CB 2.038 70.831 68.868 -0.126 0.000 1.136 806 T HN 0.587 nan 8.240 nan 0.000 0.498 807 D N 1.210 121.284 120.400 -0.543 0.000 2.340 807 D HA 0.359 4.999 4.640 -0.001 0.000 0.251 807 D C -0.608 175.429 176.300 -0.438 0.000 1.080 807 D CA -0.810 52.688 54.000 -0.836 0.000 0.971 807 D CB 1.270 41.303 40.800 -1.279 0.000 1.137 807 D HN 0.557 nan 8.370 nan 0.000 0.475 808 L N 0.972 121.978 121.223 -0.362 0.000 2.316 808 L HA 0.215 4.555 4.340 -0.001 0.000 0.280 808 L C -0.120 176.630 176.870 -0.199 0.000 1.006 808 L CA -0.763 53.957 54.840 -0.201 0.000 0.836 808 L CB 0.417 42.420 42.059 -0.093 0.000 1.221 808 L HN 0.460 nan 8.230 nan 0.000 0.418 809 N N 2.128 120.716 118.700 -0.186 0.000 2.714 809 N HA -0.230 4.509 4.740 -0.001 0.000 0.250 809 N C 0.982 176.282 175.510 -0.350 0.000 1.117 809 N CA 0.913 53.850 53.050 -0.189 0.000 0.719 809 N CB -1.035 37.418 38.487 -0.056 0.000 1.081 809 N HN 1.073 nan 8.380 nan 0.000 0.557 810 G N -1.618 106.981 108.800 -0.334 0.000 2.155 810 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.257 810 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.257 810 G C 0.620 175.508 174.900 -0.020 0.000 0.983 810 G CA 0.681 45.618 45.100 -0.271 0.000 0.676 810 G HN 0.482 nan 8.290 nan 0.000 0.528 811 L N -0.407 120.737 121.223 -0.131 0.000 2.467 811 L HA 0.500 4.839 4.340 -0.001 0.000 0.213 811 L C 0.980 177.736 176.870 -0.190 0.000 1.053 811 L CA 1.946 56.622 54.840 -0.272 0.000 0.847 811 L CB 0.158 41.900 42.059 -0.529 0.000 1.075 811 L HN 0.711 nan 8.230 nan 0.000 0.479 812 Q N -1.826 117.866 119.800 -0.180 0.000 2.522 812 Q HA 0.346 4.686 4.340 -0.001 0.000 0.285 812 Q C -1.706 174.182 176.000 -0.188 0.000 0.982 812 Q CA -0.740 55.020 55.803 -0.071 0.000 0.805 812 Q CB 1.081 29.831 28.738 0.019 0.000 1.457 812 Q HN -0.044 nan 8.270 nan 0.000 0.394 813 F N 1.333 121.240 119.950 -0.072 0.000 2.427 813 F HA 0.600 5.126 4.527 -0.001 0.000 0.346 813 F C -0.159 175.604 175.800 -0.062 0.000 1.120 813 F CA -0.816 57.153 58.000 -0.052 0.000 1.033 813 F CB 1.667 40.680 39.000 0.022 0.000 1.126 813 F HN 0.535 nan 8.300 nan 0.000 0.462 814 I N 3.769 124.341 120.570 0.005 0.000 2.530 814 I HA 0.341 4.511 4.170 -0.001 0.000 0.297 814 I C -0.507 175.469 176.117 -0.235 0.000 1.011 814 I CA -0.886 60.368 61.300 -0.078 0.000 1.107 814 I CB 1.330 39.237 38.000 -0.155 0.000 1.285 814 I HN 0.502 nan 8.210 nan 0.000 0.436 815 K N 6.704 126.919 120.400 -0.309 0.000 2.368 815 K HA 0.273 4.593 4.320 -0.001 0.000 0.282 815 K C -0.859 175.292 176.600 -0.749 0.000 1.035 815 K CA -0.386 55.445 56.287 -0.760 0.000 0.973 815 K CB 0.528 32.723 32.500 -0.509 0.000 0.957 815 K HN 0.510 nan 8.250 nan 0.000 0.474 816 R N 3.234 123.112 120.500 -1.037 0.000 2.664 816 R HA 0.362 4.701 4.340 -0.001 0.000 0.286 816 R C -0.509 175.308 176.300 -0.806 0.000 0.967 816 R CA -0.793 54.637 56.100 -1.116 0.000 0.933 816 R CB 1.545 30.637 30.300 -2.015 0.000 1.146 816 R HN 0.670 nan 8.270 nan 0.000 0.468 817 R N 1.430 121.661 120.500 -0.449 0.000 2.476 817 R HA 0.287 4.626 4.340 -0.001 0.000 0.305 817 R C -0.505 175.834 176.300 0.065 0.000 0.965 817 R CA -0.664 55.348 56.100 -0.146 0.000 0.867 817 R CB 1.581 31.836 30.300 -0.076 0.000 1.176 817 R HN 0.538 nan 8.270 nan 0.000 0.447 818 R N 4.908 125.552 120.500 0.240 0.000 2.522 818 R HA 0.123 4.463 4.340 -0.001 0.000 0.284 818 R C -0.969 175.415 176.300 0.140 0.000 1.032 818 R CA 0.226 56.498 56.100 0.288 0.000 1.049 818 R CB 0.406 30.864 30.300 0.262 0.000 0.956 818 R HN 0.542 nan 8.270 nan 0.000 0.422 819 L N 5.023 126.306 121.223 0.101 0.000 2.342 819 L HA 0.222 4.561 4.340 -0.001 0.000 0.276 819 L C 0.146 177.008 176.870 -0.013 0.000 0.997 819 L CA -0.676 54.180 54.840 0.026 0.000 0.838 819 L CB 1.966 44.010 42.059 -0.026 0.000 1.224 819 L HN 0.653 nan 8.230 nan 0.000 0.416 820 D N 1.613 122.013 120.400 -0.000 0.000 2.348 820 D HA -0.111 4.528 4.640 -0.001 0.000 0.216 820 D C 1.687 177.970 176.300 -0.029 0.000 0.970 820 D CA 0.767 54.761 54.000 -0.009 0.000 0.889 820 D CB 0.369 41.173 40.800 0.007 0.000 0.912 820 D HN 0.561 nan 8.370 nan 0.000 0.524 821 K N 0.220 120.594 120.400 -0.043 0.000 2.486 821 K HA 0.022 4.342 4.320 -0.001 0.000 0.194 821 K C 0.683 177.221 176.600 -0.104 0.000 1.033 821 K CA 0.330 56.588 56.287 -0.048 0.000 1.004 821 K CB 0.341 32.827 32.500 -0.025 0.000 0.798 821 K HN 0.100 nan 8.250 nan 0.000 0.495 822 L N 2.246 123.370 121.223 -0.165 0.000 2.330 822 L HA 0.466 4.805 4.340 -0.001 0.000 0.271 822 L C -2.256 174.508 176.870 -0.178 0.000 1.013 822 L CA -2.918 51.781 54.840 -0.234 0.000 0.816 822 L CB 1.421 43.240 42.059 -0.399 0.000 1.287 822 L HN -0.049 nan 8.230 nan 0.000 0.435 823 P HA 0.039 nan 4.420 nan 0.000 0.272 823 P C 0.856 178.029 177.300 -0.212 0.000 1.240 823 P CA -0.405 62.597 63.100 -0.163 0.000 0.791 823 P CB 1.247 32.876 31.700 -0.119 0.000 0.978 824 L N 0.932 122.060 121.223 -0.158 0.000 2.021 824 L HA -0.287 4.052 4.340 -0.001 0.000 0.215 824 L C 2.492 179.269 176.870 -0.156 0.000 1.074 824 L CA 1.988 56.756 54.840 -0.120 0.000 0.760 824 L CB -0.631 41.356 42.059 -0.120 0.000 0.889 824 L HN 0.441 nan 8.230 nan 0.000 0.433 825 Q N -0.334 119.266 119.800 -0.333 0.000 2.291 825 Q HA -0.165 4.174 4.340 -0.001 0.000 0.205 825 Q C 1.870 177.768 176.000 -0.170 0.000 0.970 825 Q CA 1.487 57.132 55.803 -0.264 0.000 0.876 825 Q CB -0.516 27.997 28.738 -0.375 0.000 0.935 825 Q HN 0.612 nan 8.270 nan 0.000 0.455 826 A N 1.479 123.981 122.820 -0.529 0.000 2.067 826 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 826 A C 1.646 179.048 177.584 -0.304 0.000 1.156 826 A CA 0.764 52.342 52.037 -0.765 0.000 0.683 826 A CB -0.202 17.990 19.000 -1.346 0.000 0.808 826 A HN 0.346 nan 8.150 nan 0.000 0.455 827 N N -1.164 117.468 118.700 -0.113 0.000 2.398 827 N HA 0.045 4.785 4.740 -0.001 0.000 0.188 827 N C -0.820 174.774 175.510 0.139 0.000 1.122 827 N CA 0.225 53.322 53.050 0.077 0.000 0.866 827 N CB 0.038 38.620 38.487 0.158 0.000 0.970 827 N HN 0.454 nan 8.380 nan 0.000 0.462 828 Y N 0.283 120.535 120.300 -0.080 0.000 2.304 828 Y HA 0.207 4.756 4.550 -0.001 0.000 0.328 828 Y C -0.169 175.665 175.900 -0.109 0.000 1.123 828 Y CA -0.158 57.977 58.100 0.058 0.000 1.218 828 Y CB 0.372 38.943 38.460 0.185 0.000 1.207 828 Y HN -0.068 nan 8.280 nan 0.000 0.495 829 Y N 3.225 123.649 120.300 0.207 0.000 2.605 829 Y HA 0.457 5.006 4.550 -0.001 0.000 0.343 829 Y C -2.293 173.288 175.900 -0.532 0.000 1.036 829 Y CA -2.843 55.225 58.100 -0.054 0.000 1.065 829 Y CB 1.598 40.027 38.460 -0.052 0.000 1.288 829 Y HN 0.440 nan 8.280 nan 0.000 0.481 830 P HA 0.143 nan 4.420 nan 0.000 0.271 830 P C -0.702 176.354 177.300 -0.407 0.000 1.218 830 P CA 0.165 62.670 63.100 -0.992 0.000 0.780 830 P CB 0.635 31.652 31.700 -1.138 0.000 0.901 831 I N 4.344 124.757 120.570 -0.262 0.000 2.697 831 I HA 0.171 4.341 4.170 -0.001 0.000 0.279 831 I C -1.741 174.303 176.117 -0.120 0.000 1.171 831 I CA -2.483 58.738 61.300 -0.132 0.000 1.135 831 I CB 0.764 38.742 38.000 -0.037 0.000 1.445 831 I HN 0.195 nan 8.210 nan 0.000 0.541 832 P HA -0.062 nan 4.420 nan 0.000 0.219 832 P C 1.058 178.327 177.300 -0.051 0.000 1.150 832 P CA 1.270 64.297 63.100 -0.121 0.000 0.814 832 P CB 0.582 32.182 31.700 -0.167 0.000 0.787 833 S N -3.519 112.156 115.700 -0.042 0.000 2.560 833 S HA 0.471 4.940 4.470 -0.001 0.000 0.281 833 S C 0.570 175.258 174.600 0.147 0.000 1.075 833 S CA 0.321 58.554 58.200 0.055 0.000 1.295 833 S CB 0.336 63.592 63.200 0.094 0.000 1.156 833 S HN 0.332 nan 8.310 nan 0.000 0.627 834 G N 1.562 110.451 108.800 0.148 0.000 2.489 834 G HA2 0.552 4.512 3.960 -0.001 0.000 0.291 834 G HA3 0.552 4.512 3.960 -0.001 0.000 0.291 834 G C -1.480 173.667 174.900 0.411 0.000 1.487 834 G CA -0.467 44.846 45.100 0.354 0.000 0.795 834 G HN 0.853 nan 8.290 nan 0.000 0.513 835 M N -0.551 119.308 119.600 0.432 0.000 2.520 835 M HA 0.895 5.374 4.480 -0.001 0.000 0.280 835 M C -1.699 174.841 176.300 0.399 0.000 1.232 835 M CA -1.025 54.489 55.300 0.358 0.000 0.892 835 M CB 2.554 35.276 32.600 0.203 0.000 1.728 835 M HN 1.189 nan 8.290 nan 0.000 0.475 836 F N 0.919 121.014 119.950 0.242 0.000 2.668 836 F HA 0.897 5.423 4.527 -0.001 0.000 0.309 836 F C -1.824 174.109 175.800 0.221 0.000 1.117 836 F CA -1.218 56.864 58.000 0.137 0.000 0.951 836 F CB 1.100 40.095 39.000 -0.007 0.000 1.323 836 F HN 0.780 nan 8.300 nan 0.000 0.451 837 I N -0.042 120.769 120.570 0.401 0.000 2.785 837 I HA 0.894 5.064 4.170 -0.001 0.000 0.302 837 I C -1.354 174.947 176.117 0.308 0.000 1.069 837 I CA -0.862 60.633 61.300 0.325 0.000 1.045 837 I CB 2.379 40.485 38.000 0.176 0.000 1.236 837 I HN 0.947 nan 8.210 nan 0.000 0.429 838 E N 2.211 122.577 120.200 0.276 0.000 2.407 838 E HA 0.547 4.896 4.350 -0.001 0.000 0.279 838 E C -2.047 174.636 176.600 0.137 0.000 1.012 838 E CA -0.849 55.655 56.400 0.174 0.000 0.800 838 E CB 2.189 31.980 29.700 0.152 0.000 1.276 838 E HN 0.738 nan 8.360 nan 0.000 0.452 839 D N 0.579 121.030 120.400 0.083 0.000 2.784 839 D HA 0.464 5.104 4.640 -0.001 0.000 0.256 839 D C 0.896 177.224 176.300 0.048 0.000 1.129 839 D CA -0.200 53.842 54.000 0.070 0.000 1.102 839 D CB 0.002 40.836 40.800 0.056 0.000 1.330 839 D HN 0.450 nan 8.370 nan 0.000 0.626 840 A N -0.723 122.119 122.820 0.037 0.000 2.019 840 A HA -0.162 4.157 4.320 -0.001 0.000 0.219 840 A C 1.502 179.090 177.584 0.007 0.000 1.164 840 A CA 1.519 53.569 52.037 0.023 0.000 0.644 840 A CB -0.726 18.286 19.000 0.020 0.000 0.805 840 A HN 0.518 nan 8.150 nan 0.000 0.449 841 N N -1.705 116.999 118.700 0.006 0.000 2.397 841 N HA 0.065 4.804 4.740 -0.001 0.000 0.190 841 N C -0.384 175.115 175.510 -0.018 0.000 1.099 841 N CA 0.735 53.781 53.050 -0.007 0.000 0.876 841 N CB 0.611 39.096 38.487 -0.003 0.000 1.143 841 N HN 0.307 nan 8.380 nan 0.000 0.468 842 T N 0.579 115.127 114.554 -0.010 0.000 2.893 842 T HA 0.463 4.813 4.350 -0.001 0.000 0.293 842 T C -0.575 174.115 174.700 -0.017 0.000 1.027 842 T CA -0.653 61.435 62.100 -0.021 0.000 0.988 842 T CB 2.891 71.752 68.868 -0.012 0.000 1.043 842 T HN -0.033 nan 8.240 nan 0.000 0.461 843 R N 1.817 122.290 120.500 -0.045 0.000 2.686 843 R HA 0.737 5.076 4.340 -0.001 0.000 0.283 843 R C -2.009 174.264 176.300 -0.045 0.000 0.978 843 R CA -0.901 55.173 56.100 -0.043 0.000 0.897 843 R CB 1.341 31.549 30.300 -0.153 0.000 1.192 843 R HN 0.455 nan 8.270 nan 0.000 0.457 844 L N 2.537 123.763 121.223 0.005 0.000 2.349 844 L HA 0.506 4.845 4.340 -0.001 0.000 0.278 844 L C -1.358 175.548 176.870 0.059 0.000 0.996 844 L CA 0.086 54.922 54.840 -0.006 0.000 0.825 844 L CB 2.268 44.311 42.059 -0.026 0.000 1.243 844 L HN 0.648 nan 8.230 nan 0.000 0.412 845 T N 5.662 120.231 114.554 0.025 0.000 2.807 845 T HA 0.562 4.911 4.350 -0.001 0.000 0.279 845 T C -1.059 173.703 174.700 0.103 0.000 0.993 845 T CA -0.275 61.882 62.100 0.094 0.000 0.970 845 T CB 1.420 70.272 68.868 -0.028 0.000 0.950 845 T HN 0.457 nan 8.240 nan 0.000 0.441 846 L N 5.141 126.462 121.223 0.163 0.000 2.294 846 L HA 0.529 4.868 4.340 -0.001 0.000 0.283 846 L C -1.269 175.746 176.870 0.241 0.000 1.015 846 L CA -0.700 54.246 54.840 0.177 0.000 0.831 846 L CB 0.486 42.630 42.059 0.142 0.000 1.217 846 L HN 0.411 nan 8.230 nan 0.000 0.420 847 L N 3.867 125.234 121.223 0.241 0.000 2.343 847 L HA 0.637 4.976 4.340 -0.001 0.000 0.275 847 L C 0.552 177.571 176.870 0.249 0.000 1.056 847 L CA -0.232 54.749 54.840 0.235 0.000 0.804 847 L CB 1.397 43.563 42.059 0.179 0.000 1.203 847 L HN 0.762 nan 8.230 nan 0.000 0.440 848 T N -2.301 112.355 114.554 0.169 0.000 2.908 848 T HA 0.615 4.964 4.350 -0.001 0.000 0.290 848 T C 0.669 175.337 174.700 -0.054 0.000 1.034 848 T CA -0.292 61.824 62.100 0.028 0.000 1.010 848 T CB 1.936 70.822 68.868 0.030 0.000 1.068 848 T HN 0.674 nan 8.240 nan 0.000 0.481 849 G N 1.231 109.925 108.800 -0.177 0.000 3.284 849 G HA2 0.420 4.380 3.960 -0.001 0.000 0.236 849 G HA3 0.420 4.380 3.960 -0.001 0.000 0.236 849 G C 0.163 175.001 174.900 -0.103 0.000 1.158 849 G CA -0.304 44.726 45.100 -0.117 0.000 0.774 849 G HN 0.959 nan 8.290 nan 0.000 0.545 850 Q N -0.238 119.493 119.800 -0.114 0.000 2.479 850 Q HA 0.318 4.657 4.340 -0.001 0.000 0.276 850 Q C -3.545 172.413 176.000 -0.069 0.000 0.989 850 Q CA -2.270 53.488 55.803 -0.075 0.000 0.864 850 Q CB 1.791 30.495 28.738 -0.056 0.000 1.444 850 Q HN -0.008 nan 8.270 nan 0.000 0.388 851 P HA 0.515 nan 4.420 nan 0.000 0.281 851 P C -0.702 176.579 177.300 -0.032 0.000 1.252 851 P CA -0.213 62.864 63.100 -0.038 0.000 0.778 851 P CB 1.073 32.757 31.700 -0.027 0.000 0.895 852 L N 1.478 122.678 121.223 -0.038 0.000 2.491 852 L HA 0.659 4.998 4.340 -0.001 0.000 0.254 852 L C 0.685 177.567 176.870 0.020 0.000 1.048 852 L CA -1.125 53.715 54.840 -0.000 0.000 0.855 852 L CB 2.108 44.152 42.059 -0.025 0.000 1.466 852 L HN 0.347 nan 8.230 nan 0.000 0.409 853 G N -0.912 107.955 108.800 0.111 0.000 2.448 853 G HA2 0.677 4.637 3.960 -0.001 0.000 0.285 853 G HA3 0.677 4.637 3.960 -0.001 0.000 0.285 853 G C -0.481 174.436 174.900 0.028 0.000 1.176 853 G CA 0.127 45.342 45.100 0.191 0.000 0.852 853 G HN 0.872 nan 8.290 nan 0.000 0.530 854 G N -1.421 107.215 108.800 -0.272 0.000 2.600 854 G HA2 0.685 4.644 3.960 -0.001 0.000 0.293 854 G HA3 0.685 4.644 3.960 -0.001 0.000 0.293 854 G C -1.168 173.283 174.900 -0.748 0.000 1.408 854 G CA 0.427 45.179 45.100 -0.581 0.000 0.782 854 G HN 1.276 nan 8.290 nan 0.000 0.482 855 S N -1.920 113.405 115.700 -0.626 0.000 2.683 855 S HA 0.718 5.188 4.470 -0.001 0.000 0.269 855 S C -1.567 172.588 174.600 -0.742 0.000 1.165 855 S CA 0.342 58.174 58.200 -0.613 0.000 0.840 855 S CB 1.273 64.179 63.200 -0.490 0.000 1.169 855 S HN 1.565 nan 8.310 nan 0.000 0.490 856 S N 1.613 116.597 115.700 -1.192 0.000 2.664 856 S HA 0.477 4.946 4.470 -0.001 0.000 0.262 856 S C 0.130 174.482 174.600 -0.414 0.000 1.229 856 S CA -0.626 57.127 58.200 -0.746 0.000 1.151 856 S CB -0.061 62.635 63.200 -0.841 0.000 1.054 856 S HN 0.571 nan 8.310 nan 0.000 0.483 857 L N 3.089 124.206 121.223 -0.176 0.000 2.591 857 L HA 0.493 4.832 4.340 -0.001 0.000 0.228 857 L C 0.874 177.734 176.870 -0.016 0.000 1.133 857 L CA 0.293 55.107 54.840 -0.042 0.000 0.880 857 L CB -0.019 42.072 42.059 0.053 0.000 1.033 857 L HN 0.695 nan 8.230 nan 0.000 0.450 858 A N -1.278 121.521 122.820 -0.035 0.000 2.612 858 A HA 0.455 4.775 4.320 -0.001 0.000 0.293 858 A C -0.454 177.126 177.584 -0.006 0.000 1.075 858 A CA -0.453 51.581 52.037 -0.005 0.000 0.680 858 A CB 1.172 20.176 19.000 0.007 0.000 1.279 858 A HN -0.149 nan 8.150 nan 0.000 0.411 859 S N -0.143 115.568 115.700 0.017 0.000 2.558 859 S HA 0.392 4.862 4.470 -0.001 0.000 0.293 859 S C 1.542 176.158 174.600 0.027 0.000 1.292 859 S CA 1.952 60.170 58.200 0.030 0.000 1.063 859 S CB -0.086 63.136 63.200 0.037 0.000 0.831 859 S HN 2.656 nan 8.310 nan 0.000 0.499 860 G N 3.448 112.266 108.800 0.030 0.000 2.179 860 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.260 860 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.260 860 G C -0.152 174.741 174.900 -0.012 0.000 0.977 860 G CA 0.504 45.619 45.100 0.025 0.000 0.641 860 G HN 0.717 nan 8.290 nan 0.000 0.533 861 E N -0.533 119.646 120.200 -0.035 0.000 2.222 861 E HA 0.787 5.137 4.350 -0.001 0.000 0.267 861 E C -0.204 176.331 176.600 -0.109 0.000 0.963 861 E CA -0.759 55.598 56.400 -0.072 0.000 0.837 861 E CB 1.816 31.474 29.700 -0.070 0.000 1.183 861 E HN 0.238 nan 8.360 nan 0.000 0.403 862 L N 1.514 122.667 121.223 -0.118 0.000 2.388 862 L HA 0.473 4.813 4.340 -0.001 0.000 0.264 862 L C -0.708 176.088 176.870 -0.124 0.000 0.998 862 L CA -0.643 54.118 54.840 -0.132 0.000 0.817 862 L CB 2.090 44.102 42.059 -0.078 0.000 1.338 862 L HN 0.673 nan 8.230 nan 0.000 0.414 863 E N 2.821 122.940 120.200 -0.134 0.000 2.366 863 E HA 0.701 5.051 4.350 -0.001 0.000 0.278 863 E C -1.597 174.953 176.600 -0.083 0.000 0.923 863 E CA -0.830 55.522 56.400 -0.080 0.000 0.761 863 E CB 3.344 33.040 29.700 -0.006 0.000 1.231 863 E HN 0.535 nan 8.360 nan 0.000 0.443 864 I N 2.264 122.821 120.570 -0.021 0.000 2.607 864 I HA 0.330 4.500 4.170 -0.001 0.000 0.290 864 I C -1.369 174.807 176.117 0.098 0.000 1.129 864 I CA -1.158 60.152 61.300 0.017 0.000 1.042 864 I CB 1.952 39.966 38.000 0.022 0.000 1.242 864 I HN 0.786 nan 8.210 nan 0.000 0.421 865 M N 6.204 125.899 119.600 0.158 0.000 2.238 865 M HA 0.205 4.685 4.480 -0.001 0.000 0.347 865 M C 0.587 176.980 176.300 0.155 0.000 1.173 865 M CA 0.655 56.056 55.300 0.168 0.000 1.147 865 M CB 0.892 33.568 32.600 0.127 0.000 1.547 865 M HN 0.576 nan 8.290 nan 0.000 0.455 866 Q N 1.375 121.300 119.800 0.208 0.000 2.287 866 Q HA 0.260 4.599 4.340 -0.001 0.000 0.201 866 Q C -0.266 175.936 176.000 0.336 0.000 0.946 866 Q CA 0.799 56.792 55.803 0.316 0.000 0.868 866 Q CB 0.400 29.354 28.738 0.361 0.000 0.967 866 Q HN 0.762 nan 8.270 nan 0.000 0.516 867 D N -0.887 119.643 120.400 0.216 0.000 2.671 867 D HA 0.296 4.935 4.640 -0.001 0.000 0.273 867 D C -1.434 174.934 176.300 0.113 0.000 1.264 867 D CA -0.485 53.618 54.000 0.173 0.000 0.788 867 D CB 1.470 42.363 40.800 0.155 0.000 1.324 867 D HN 0.039 nan 8.370 nan 0.000 0.424 868 R N 0.780 121.336 120.500 0.094 0.000 2.584 868 R HA 0.689 5.028 4.340 -0.001 0.000 0.276 868 R C -1.094 175.249 176.300 0.071 0.000 1.046 868 R CA -1.055 55.084 56.100 0.066 0.000 0.906 868 R CB 2.103 32.414 30.300 0.018 0.000 1.215 868 R HN 0.327 nan 8.270 nan 0.000 0.449 869 R N 3.747 124.287 120.500 0.067 0.000 2.483 869 R HA 0.456 4.796 4.340 -0.001 0.000 0.303 869 R C -1.485 174.850 176.300 0.057 0.000 0.987 869 R CA -0.556 55.580 56.100 0.061 0.000 0.881 869 R CB 1.269 31.602 30.300 0.055 0.000 1.177 869 R HN 0.712 nan 8.270 nan 0.000 0.451 870 L N 3.948 125.203 121.223 0.055 0.000 2.381 870 L HA 0.536 4.875 4.340 -0.001 0.000 0.274 870 L C 0.759 177.656 176.870 0.044 0.000 0.988 870 L CA -0.586 54.284 54.840 0.050 0.000 0.824 870 L CB 2.135 44.224 42.059 0.051 0.000 1.263 870 L HN 0.798 nan 8.230 nan 0.000 0.410 871 A N 1.631 124.475 122.820 0.039 0.000 2.072 871 A HA 0.160 4.480 4.320 -0.001 0.000 0.216 871 A C 0.952 178.554 177.584 0.031 0.000 1.156 871 A CA 0.580 52.638 52.037 0.034 0.000 0.701 871 A CB 0.036 19.054 19.000 0.029 0.000 0.816 871 A HN 0.612 nan 8.150 nan 0.000 0.458 872 S N -0.099 115.620 115.700 0.031 0.000 2.608 872 S HA 0.412 4.882 4.470 -0.001 0.000 0.291 872 S C -0.621 173.999 174.600 0.033 0.000 1.146 872 S CA -0.645 57.571 58.200 0.027 0.000 1.043 872 S CB 1.460 64.672 63.200 0.020 0.000 1.037 872 S HN 0.495 nan 8.310 nan 0.000 0.520 873 D N 0.321 120.740 120.400 0.033 0.000 2.304 873 D HA 0.221 4.861 4.640 -0.001 0.000 0.247 873 D C -0.185 176.133 176.300 0.030 0.000 1.089 873 D CA -0.415 53.612 54.000 0.045 0.000 0.910 873 D CB 0.683 41.508 40.800 0.042 0.000 1.199 873 D HN 0.488 nan 8.370 nan 0.000 0.426 874 D N 2.051 122.474 120.400 0.038 0.000 2.525 874 D HA 0.072 4.711 4.640 -0.001 0.000 0.229 874 D C -0.354 175.907 176.300 -0.065 0.000 1.202 874 D CA -0.304 53.686 54.000 -0.017 0.000 0.828 874 D CB -0.413 40.366 40.800 -0.035 0.000 1.008 874 D HN 0.679 nan 8.370 nan 0.000 0.493 875 E N -0.306 119.878 120.200 -0.025 0.000 2.791 875 E HA -0.225 4.125 4.350 -0.001 0.000 0.271 875 E C 0.354 176.915 176.600 -0.065 0.000 1.044 875 E CA 0.226 56.606 56.400 -0.032 0.000 0.814 875 E CB -0.720 28.959 29.700 -0.034 0.000 1.400 875 E HN 0.235 nan 8.360 nan 0.000 0.423 876 R N -0.614 119.816 120.500 -0.117 0.000 2.472 876 R HA 0.205 4.545 4.340 -0.001 0.000 0.279 876 R C 1.438 177.801 176.300 0.104 0.000 0.953 876 R CA 0.756 56.727 56.100 -0.215 0.000 1.088 876 R CB 1.085 30.829 30.300 -0.927 0.000 1.197 876 R HN 0.398 nan 8.270 nan 0.000 0.536 877 G N 0.793 109.719 108.800 0.209 0.000 2.201 877 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.212 877 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.212 877 G C 0.719 175.722 174.900 0.173 0.000 0.994 877 G CA 0.204 45.490 45.100 0.309 0.000 0.644 877 G HN 0.280 nan 8.290 nan 0.000 0.508 878 L N 1.436 122.860 121.223 0.334 0.000 2.093 878 L HA 0.461 4.801 4.340 -0.001 0.000 0.208 878 L C 2.172 179.045 176.870 0.005 0.000 1.085 878 L CA 2.759 57.703 54.840 0.175 0.000 0.755 878 L CB -0.561 41.756 42.059 0.429 0.000 0.904 878 L HN 1.698 nan 8.230 nan 0.000 0.435 879 G N -0.429 108.400 108.800 0.048 0.000 2.176 879 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.252 879 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.252 879 G C 0.051 174.963 174.900 0.020 0.000 1.024 879 G CA 0.607 45.715 45.100 0.013 0.000 0.755 879 G HN 0.811 nan 8.290 nan 0.000 0.507 880 Q N -2.167 117.661 119.800 0.047 0.000 2.702 880 Q HA 0.661 5.001 4.340 -0.001 0.000 0.289 880 Q C 0.374 176.409 176.000 0.059 0.000 0.923 880 Q CA -0.588 55.241 55.803 0.044 0.000 0.787 880 Q CB 0.353 29.115 28.738 0.041 0.000 1.476 880 Q HN 0.998 nan 8.270 nan 0.000 0.402 881 G N 0.034 108.864 108.800 0.049 0.000 2.531 881 G HA2 0.518 4.478 3.960 -0.001 0.000 0.253 881 G HA3 0.518 4.478 3.960 -0.001 0.000 0.253 881 G C -0.953 173.981 174.900 0.056 0.000 1.439 881 G CA -0.611 44.520 45.100 0.051 0.000 1.056 881 G HN 0.415 nan 8.290 nan 0.000 0.555 882 V N 0.838 120.786 119.914 0.056 0.000 2.305 882 V HA 0.347 4.466 4.120 -0.001 0.000 0.275 882 V C 0.050 176.182 176.094 0.063 0.000 1.020 882 V CA -0.156 62.183 62.300 0.065 0.000 0.811 882 V CB 0.928 32.793 31.823 0.069 0.000 1.031 882 V HN 0.540 nan 8.190 nan 0.000 0.439 883 L N 3.315 124.574 121.223 0.060 0.000 3.229 883 L HA 0.318 4.657 4.340 -0.001 0.000 0.286 883 L C 0.594 177.495 176.870 0.052 0.000 1.239 883 L CA 0.020 54.890 54.840 0.051 0.000 1.035 883 L CB 0.735 42.819 42.059 0.041 0.000 1.408 883 L HN 0.663 nan 8.230 nan 0.000 0.593 884 D N -2.072 118.367 120.400 0.066 0.000 2.525 884 D HA 0.056 4.696 4.640 -0.001 0.000 0.229 884 D C 0.168 176.512 176.300 0.073 0.000 1.202 884 D CA -0.439 53.601 54.000 0.066 0.000 0.828 884 D CB -0.392 40.455 40.800 0.079 0.000 1.008 884 D HN 0.079 nan 8.370 nan 0.000 0.493 885 N N 1.650 120.391 118.700 0.068 0.000 2.374 885 N HA 0.104 4.844 4.740 -0.001 0.000 0.241 885 N C 0.195 175.718 175.510 0.021 0.000 1.262 885 N CA 0.395 53.484 53.050 0.065 0.000 0.880 885 N CB 0.639 39.161 38.487 0.057 0.000 1.105 885 N HN 0.315 nan 8.380 nan 0.000 0.438 886 K N -0.445 119.954 120.400 -0.001 0.000 2.536 886 K HA 0.542 4.862 4.320 -0.001 0.000 0.269 886 K C -3.261 173.314 176.600 -0.042 0.000 0.965 886 K CA -1.992 54.253 56.287 -0.071 0.000 0.860 886 K CB 1.240 33.616 32.500 -0.206 0.000 1.423 886 K HN 0.122 nan 8.250 nan 0.000 0.438 887 P HA -0.017 nan 4.420 nan 0.000 0.264 887 P C -1.015 176.303 177.300 0.030 0.000 1.183 887 P CA -0.422 62.658 63.100 -0.034 0.000 0.763 887 P CB 0.739 32.409 31.700 -0.051 0.000 0.807 888 V N 5.121 125.017 119.914 -0.031 0.000 2.841 888 V HA 0.471 4.591 4.120 -0.001 0.000 0.310 888 V C -1.335 174.625 176.094 -0.223 0.000 1.090 888 V CA -1.098 61.159 62.300 -0.072 0.000 0.930 888 V CB 2.123 33.875 31.823 -0.119 0.000 1.014 888 V HN 0.279 nan 8.190 nan 0.000 0.425 889 L N 7.041 128.159 121.223 -0.174 0.000 2.272 889 L HA 0.589 4.929 4.340 -0.001 0.000 0.284 889 L C -0.316 176.525 176.870 -0.048 0.000 1.045 889 L CA 0.119 54.890 54.840 -0.116 0.000 0.842 889 L CB 0.283 42.296 42.059 -0.076 0.000 1.224 889 L HN 0.700 nan 8.230 nan 0.000 0.430 890 H N 5.610 124.688 119.070 0.013 0.000 2.582 890 H HA 0.460 5.015 4.556 -0.001 0.000 0.345 890 H C -0.050 175.171 175.328 -0.178 0.000 1.104 890 H CA -0.129 55.869 56.048 -0.083 0.000 1.390 890 H CB 1.156 30.936 29.762 0.030 0.000 1.461 890 H HN 0.692 nan 8.280 nan 0.000 0.551 891 I N 0.203 120.602 120.570 -0.285 0.000 2.785 891 I HA 0.624 4.794 4.170 -0.001 0.000 0.302 891 I C -1.408 174.361 176.117 -0.580 0.000 1.069 891 I CA -0.950 60.198 61.300 -0.253 0.000 1.045 891 I CB 2.156 40.104 38.000 -0.087 0.000 1.236 891 I HN 0.254 nan 8.210 nan 0.000 0.429 892 Y N 2.288 122.635 120.300 0.078 0.000 2.638 892 Y HA 0.682 5.231 4.550 -0.001 0.000 0.335 892 Y C -0.685 175.267 175.900 0.087 0.000 1.155 892 Y CA -1.091 57.062 58.100 0.089 0.000 1.046 892 Y CB 1.553 40.085 38.460 0.120 0.000 1.303 892 Y HN 0.424 nan 8.280 nan 0.000 0.460 893 R N 1.402 122.065 120.500 0.271 0.000 2.686 893 R HA 0.608 4.947 4.340 -0.001 0.000 0.286 893 R C -1.939 174.474 176.300 0.188 0.000 0.969 893 R CA -1.136 55.075 56.100 0.186 0.000 0.898 893 R CB 2.597 32.967 30.300 0.117 0.000 1.183 893 R HN 0.645 nan 8.270 nan 0.000 0.456 894 L N 2.664 123.978 121.223 0.152 0.000 2.316 894 L HA 0.422 4.762 4.340 -0.001 0.000 0.280 894 L C -1.223 175.677 176.870 0.051 0.000 1.006 894 L CA -0.560 54.346 54.840 0.109 0.000 0.836 894 L CB 1.746 43.883 42.059 0.130 0.000 1.221 894 L HN 0.304 nan 8.230 nan 0.000 0.418 895 V N 6.169 126.097 119.914 0.022 0.000 2.350 895 V HA 0.405 4.524 4.120 -0.001 0.000 0.285 895 V C -0.303 175.766 176.094 -0.042 0.000 1.014 895 V CA -0.589 61.704 62.300 -0.012 0.000 0.831 895 V CB 1.387 33.196 31.823 -0.023 0.000 1.000 895 V HN 0.632 nan 8.190 nan 0.000 0.433 896 L N 5.584 126.778 121.223 -0.048 0.000 2.289 896 L HA 0.698 5.038 4.340 -0.001 0.000 0.285 896 L C -0.153 176.677 176.870 -0.066 0.000 1.049 896 L CA 0.631 55.433 54.840 -0.063 0.000 0.804 896 L CB 1.112 43.130 42.059 -0.068 0.000 1.195 896 L HN 0.750 nan 8.230 nan 0.000 0.428 897 E N 3.641 123.795 120.200 -0.078 0.000 2.383 897 E HA 0.448 4.797 4.350 -0.001 0.000 0.275 897 E C -1.316 175.238 176.600 -0.077 0.000 0.918 897 E CA -1.190 55.161 56.400 -0.082 0.000 0.764 897 E CB 1.483 31.119 29.700 -0.107 0.000 1.252 897 E HN 0.244 nan 8.360 nan 0.000 0.449 898 K N 1.412 121.770 120.400 -0.069 0.000 2.234 898 K HA 0.212 4.531 4.320 -0.001 0.000 0.282 898 K C 0.352 176.910 176.600 -0.071 0.000 1.039 898 K CA -0.182 56.070 56.287 -0.060 0.000 0.928 898 K CB 1.368 33.839 32.500 -0.049 0.000 1.039 898 K HN 0.494 nan 8.250 nan 0.000 0.470 899 V N -0.387 119.486 119.914 -0.068 0.000 3.346 899 V HA 0.021 4.140 4.120 -0.001 0.000 0.309 899 V C 1.226 177.285 176.094 -0.057 0.000 1.457 899 V CA -0.285 61.967 62.300 -0.080 0.000 1.069 899 V CB -0.286 31.473 31.823 -0.107 0.000 0.944 899 V HN 0.614 nan 8.190 nan 0.000 0.449 900 N N 1.574 120.249 118.700 -0.042 0.000 2.272 900 N HA -0.196 4.543 4.740 -0.001 0.000 0.185 900 N C 1.022 176.512 175.510 -0.032 0.000 1.014 900 N CA 1.741 54.773 53.050 -0.030 0.000 0.870 900 N CB -0.506 37.968 38.487 -0.022 0.000 0.975 900 N HN 0.544 nan 8.380 nan 0.000 0.433 901 N N -0.015 118.661 118.700 -0.040 0.000 2.336 901 N HA 0.075 4.814 4.740 -0.001 0.000 0.189 901 N C -0.273 175.207 175.510 -0.049 0.000 1.113 901 N CA -0.101 52.925 53.050 -0.040 0.000 0.858 901 N CB 0.101 38.564 38.487 -0.040 0.000 0.970 901 N HN 0.217 nan 8.380 nan 0.000 0.471 902 c N 1.285 119.850 118.600 -0.059 0.000 2.536 902 c HA 0.277 4.847 4.570 -0.001 0.000 0.396 902 c C 1.032 175.085 174.090 -0.061 0.000 1.279 902 c CA -0.951 55.335 56.329 -0.072 0.000 2.148 902 c CB 0.826 43.279 42.510 -0.095 0.000 2.584 902 c HN 0.006 nan 8.230 nan 0.000 0.579 903 V N 5.591 125.465 119.914 -0.067 0.000 2.387 903 V HA 0.215 4.334 4.120 -0.001 0.000 0.260 903 V C 0.629 176.686 176.094 -0.062 0.000 1.054 903 V CA 0.370 62.635 62.300 -0.058 0.000 0.967 903 V CB -0.622 31.162 31.823 -0.065 0.000 1.036 903 V HN 0.800 nan 8.190 nan 0.000 0.481 904 R N 4.552 125.028 120.500 -0.040 0.000 2.758 904 R HA 0.554 4.893 4.340 -0.001 0.000 0.265 904 R C -2.462 173.832 176.300 -0.010 0.000 1.016 904 R CA -1.874 54.210 56.100 -0.026 0.000 1.040 904 R CB 1.054 31.342 30.300 -0.019 0.000 1.152 904 R HN 0.392 nan 8.270 nan 0.000 0.503 905 P HA -0.031 nan 4.420 nan 0.000 0.270 905 P C -0.388 176.952 177.300 0.067 0.000 1.223 905 P CA -0.188 62.899 63.100 -0.020 0.000 0.785 905 P CB 0.596 32.211 31.700 -0.142 0.000 0.923 906 S N 0.904 116.672 115.700 0.114 0.000 2.606 906 S HA 0.088 4.557 4.470 -0.001 0.000 0.257 906 S C 1.019 175.700 174.600 0.134 0.000 1.327 906 S CA -0.172 58.095 58.200 0.112 0.000 0.984 906 S CB 0.304 63.571 63.200 0.112 0.000 0.941 906 S HN 0.308 nan 8.310 nan 0.000 0.576 907 K N 0.201 120.662 120.400 0.102 0.000 2.280 907 K HA 0.054 4.374 4.320 -0.001 0.000 0.202 907 K C 1.396 178.052 176.600 0.093 0.000 1.047 907 K CA 1.079 57.424 56.287 0.096 0.000 0.942 907 K CB -0.545 31.995 32.500 0.067 0.000 0.739 907 K HN 0.530 nan 8.250 nan 0.000 0.457 908 L N -0.055 121.227 121.223 0.097 0.000 2.585 908 L HA 0.056 4.396 4.340 -0.001 0.000 0.226 908 L C 0.980 177.903 176.870 0.089 0.000 1.113 908 L CA -0.244 54.638 54.840 0.070 0.000 0.876 908 L CB -0.167 41.918 42.059 0.044 0.000 1.072 908 L HN 0.247 nan 8.230 nan 0.000 0.468 909 H N 2.605 121.713 119.070 0.064 0.000 2.803 909 H HA 0.096 4.652 4.556 -0.001 0.000 0.330 909 H C -1.722 173.648 175.328 0.070 0.000 1.057 909 H CA -1.418 54.681 56.048 0.084 0.000 1.458 909 H CB 1.814 31.653 29.762 0.128 0.000 1.470 909 H HN -0.087 nan 8.280 nan 0.000 0.560 910 P HA 0.135 nan 4.420 nan 0.000 0.249 910 P C -0.385 177.030 177.300 0.191 0.000 1.229 910 P CA 0.207 63.354 63.100 0.077 0.000 0.788 910 P CB 0.484 32.153 31.700 -0.051 0.000 1.072 911 A N -0.338 122.762 122.820 0.467 0.000 2.299 911 A HA 0.755 5.075 4.320 -0.001 0.000 0.332 911 A C 0.272 177.916 177.584 0.101 0.000 1.131 911 A CA -0.314 51.858 52.037 0.225 0.000 0.844 911 A CB 1.058 20.173 19.000 0.190 0.000 1.251 911 A HN 0.160 nan 8.150 nan 0.000 0.486 912 G N -1.440 107.296 108.800 -0.107 0.000 2.658 912 G HA2 0.638 4.598 3.960 -0.001 0.000 0.292 912 G HA3 0.638 4.598 3.960 -0.001 0.000 0.292 912 G C -1.764 172.766 174.900 -0.617 0.000 1.320 912 G CA -0.428 44.515 45.100 -0.262 0.000 0.933 912 G HN 0.554 nan 8.290 nan 0.000 0.476 913 Y N -0.893 119.367 120.300 -0.067 0.000 2.534 913 Y HA 0.484 5.033 4.550 -0.001 0.000 0.345 913 Y C 0.338 175.997 175.900 -0.401 0.000 1.031 913 Y CA -0.921 57.073 58.100 -0.177 0.000 1.022 913 Y CB 2.140 40.488 38.460 -0.186 0.000 1.292 913 Y HN 0.328 nan 8.280 nan 0.000 0.459 914 L N 1.978 123.034 121.223 -0.278 0.000 2.466 914 L HA 0.387 4.727 4.340 -0.001 0.000 0.257 914 L C 0.657 177.375 176.870 -0.253 0.000 1.189 914 L CA -0.558 54.042 54.840 -0.401 0.000 0.813 914 L CB 0.871 42.768 42.059 -0.270 0.000 1.118 914 L HN 0.776 nan 8.230 nan 0.000 0.471 915 T N -2.364 112.033 114.554 -0.262 0.000 2.847 915 T HA 0.142 4.492 4.350 -0.001 0.000 0.279 915 T C 1.127 175.774 174.700 -0.089 0.000 0.984 915 T CA -0.652 61.344 62.100 -0.174 0.000 0.988 915 T CB 1.410 70.172 68.868 -0.178 0.000 1.040 915 T HN 0.529 nan 8.240 nan 0.000 0.528 916 S N 0.741 116.402 115.700 -0.065 0.000 2.365 916 S HA -0.127 4.342 4.470 -0.001 0.000 0.225 916 S C 2.452 177.060 174.600 0.012 0.000 1.039 916 S CA 1.340 59.533 58.200 -0.010 0.000 1.033 916 S CB -1.031 62.147 63.200 -0.036 0.000 0.887 916 S HN 0.887 nan 8.310 nan 0.000 0.447 917 A N 1.236 124.040 122.820 -0.026 0.000 1.902 917 A HA 0.141 4.460 4.320 -0.001 0.000 0.217 917 A C 2.328 179.906 177.584 -0.010 0.000 1.181 917 A CA 1.690 53.715 52.037 -0.019 0.000 0.623 917 A CB -0.979 18.000 19.000 -0.035 0.000 0.818 917 A HN 0.525 nan 8.150 nan 0.000 0.443 918 A N -1.067 121.734 122.820 -0.031 0.000 1.930 918 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 918 A C 2.016 179.632 177.584 0.052 0.000 1.175 918 A CA 1.985 54.009 52.037 -0.021 0.000 0.627 918 A CB -0.788 18.142 19.000 -0.117 0.000 0.815 918 A HN 0.749 nan 8.150 nan 0.000 0.443 919 H N 0.101 119.158 119.070 -0.021 0.000 2.326 919 H HA -0.009 4.546 4.556 -0.001 0.000 0.301 919 H C 1.919 177.285 175.328 0.062 0.000 1.081 919 H CA 2.140 58.212 56.048 0.040 0.000 1.334 919 H CB -0.111 29.668 29.762 0.028 0.000 1.385 919 H HN 0.401 nan 8.280 nan 0.000 0.504 920 K N -0.185 120.178 120.400 -0.062 0.000 2.097 920 K HA -0.097 4.223 4.320 -0.001 0.000 0.206 920 K C 2.356 178.923 176.600 -0.055 0.000 1.049 920 K CA 0.936 57.166 56.287 -0.094 0.000 0.933 920 K CB -0.149 32.342 32.500 -0.015 0.000 0.717 920 K HN 0.380 nan 8.250 nan 0.000 0.442 921 A N 0.873 123.685 122.820 -0.014 0.000 1.902 921 A HA -0.191 4.129 4.320 -0.001 0.000 0.217 921 A C 2.214 179.807 177.584 0.015 0.000 1.181 921 A CA 2.051 54.095 52.037 0.012 0.000 0.623 921 A CB -0.673 18.348 19.000 0.034 0.000 0.818 921 A HN 0.290 nan 8.150 nan 0.000 0.443 922 S N -0.636 115.078 115.700 0.023 0.000 2.368 922 S HA -0.242 4.228 4.470 -0.001 0.000 0.225 922 S C 2.136 176.734 174.600 -0.003 0.000 1.030 922 S CA 1.739 59.971 58.200 0.053 0.000 0.999 922 S CB -0.423 62.856 63.200 0.133 0.000 0.844 922 S HN 0.676 nan 8.310 nan 0.000 0.459 923 Q N 0.628 120.379 119.800 -0.081 0.000 2.170 923 Q HA -0.094 4.245 4.340 -0.001 0.000 0.203 923 Q C 2.495 178.461 176.000 -0.058 0.000 0.976 923 Q CA 1.673 57.430 55.803 -0.076 0.000 0.858 923 Q CB -0.326 28.340 28.738 -0.119 0.000 0.907 923 Q HN 0.818 nan 8.270 nan 0.000 0.433 924 S N 0.220 115.894 115.700 -0.043 0.000 2.423 924 S HA -0.082 4.388 4.470 -0.001 0.000 0.231 924 S C 1.847 176.410 174.600 -0.061 0.000 1.014 924 S CA 0.678 58.851 58.200 -0.044 0.000 0.965 924 S CB -0.217 62.972 63.200 -0.018 0.000 0.785 924 S HN 0.281 nan 8.310 nan 0.000 0.495 925 L N 0.042 121.238 121.223 -0.046 0.000 2.102 925 L HA 0.215 4.555 4.340 -0.001 0.000 0.202 925 L C 2.545 179.361 176.870 -0.089 0.000 1.076 925 L CA 0.755 55.563 54.840 -0.054 0.000 0.761 925 L CB -0.386 41.660 42.059 -0.023 0.000 0.921 925 L HN 0.281 nan 8.230 nan 0.000 0.444 926 L N -1.130 120.046 121.223 -0.079 0.000 2.162 926 L HA 0.010 4.349 4.340 -0.001 0.000 0.205 926 L C 0.203 176.969 176.870 -0.173 0.000 1.086 926 L CA 0.830 55.611 54.840 -0.098 0.000 0.778 926 L CB 0.066 42.093 42.059 -0.053 0.000 0.928 926 L HN 0.214 nan 8.230 nan 0.000 0.446 927 D N 0.361 120.644 120.400 -0.194 0.000 2.613 927 D HA 0.232 4.871 4.640 -0.001 0.000 0.312 927 D C -2.332 173.773 176.300 -0.325 0.000 1.202 927 D CA -0.994 52.823 54.000 -0.304 0.000 0.825 927 D CB 1.267 42.077 40.800 0.016 0.000 1.113 927 D HN 0.068 nan 8.370 nan 0.000 0.502 928 P HA 0.114 nan 4.420 nan 0.000 0.273 928 P C 0.590 177.780 177.300 -0.184 0.000 1.250 928 P CA -0.490 62.464 63.100 -0.242 0.000 0.793 928 P CB 1.537 33.104 31.700 -0.222 0.000 1.011 929 L N 0.867 122.033 121.223 -0.095 0.000 2.514 929 L HA 0.069 4.408 4.340 -0.001 0.000 0.280 929 L C 0.925 177.788 176.870 -0.011 0.000 1.223 929 L CA 0.463 55.287 54.840 -0.026 0.000 0.864 929 L CB -0.335 41.718 42.059 -0.009 0.000 1.118 929 L HN 0.288 nan 8.230 nan 0.000 0.494 930 D N 3.201 123.657 120.400 0.094 0.000 2.225 930 D HA 0.333 4.973 4.640 -0.001 0.000 0.249 930 D C -0.322 175.962 176.300 -0.026 0.000 1.052 930 D CA -0.280 53.714 54.000 -0.011 0.000 0.909 930 D CB 1.657 42.495 40.800 0.063 0.000 1.186 930 D HN 0.371 nan 8.370 nan 0.000 0.431 931 K N 1.313 121.570 120.400 -0.238 0.000 2.345 931 K HA 0.470 4.789 4.320 -0.001 0.000 0.255 931 K C -1.046 175.458 176.600 -0.160 0.000 0.934 931 K CA -0.651 55.631 56.287 -0.008 0.000 0.801 931 K CB 1.590 34.053 32.500 -0.062 0.000 1.137 931 K HN 0.226 nan 8.250 nan 0.000 0.424 932 F N 2.580 122.697 119.950 0.279 0.000 2.520 932 F HA 0.501 5.027 4.527 -0.001 0.000 0.322 932 F C -0.014 176.063 175.800 0.461 0.000 1.103 932 F CA -0.879 57.282 58.000 0.268 0.000 0.926 932 F CB 1.295 40.269 39.000 -0.042 0.000 1.154 932 F HN 0.196 nan 8.300 nan 0.000 0.453 933 I N 3.507 124.462 120.570 0.641 0.000 2.362 933 I HA 0.221 4.390 4.170 -0.001 0.000 0.289 933 I C -0.594 175.820 176.117 0.496 0.000 0.994 933 I CA -0.828 60.774 61.300 0.504 0.000 1.158 933 I CB 1.258 39.455 38.000 0.328 0.000 1.315 933 I HN 0.440 nan 8.210 nan 0.000 0.451 934 F N 5.814 125.936 119.950 0.287 0.000 2.578 934 F HA 0.200 4.726 4.527 -0.001 0.000 0.376 934 F C 1.215 176.946 175.800 -0.114 0.000 1.085 934 F CA 0.135 58.009 58.000 -0.210 0.000 1.260 934 F CB 1.188 40.090 39.000 -0.163 0.000 1.095 934 F HN 0.612 nan 8.300 nan 0.000 0.573 935 A N 4.556 126.848 122.820 -0.879 0.000 1.898 935 A HA 0.003 4.323 4.320 -0.001 0.000 0.214 935 A C 1.015 178.358 177.584 -0.401 0.000 1.183 935 A CA 0.689 52.415 52.037 -0.518 0.000 0.622 935 A CB -0.567 18.108 19.000 -0.542 0.000 0.824 935 A HN 0.803 nan 8.150 nan 0.000 0.444 936 E N -0.378 119.435 120.200 -0.645 0.000 2.405 936 E HA 0.135 4.484 4.350 -0.001 0.000 0.253 936 E C 0.324 177.028 176.600 0.174 0.000 1.257 936 E CA -0.465 55.851 56.400 -0.140 0.000 0.960 936 E CB 0.214 29.889 29.700 -0.043 0.000 1.077 936 E HN 0.263 nan 8.360 nan 0.000 0.512 937 N N 0.477 119.293 118.700 0.193 0.000 2.250 937 N HA -0.081 4.659 4.740 -0.001 0.000 0.181 937 N C -0.240 175.425 175.510 0.258 0.000 1.017 937 N CA 0.896 54.070 53.050 0.207 0.000 0.866 937 N CB 0.207 38.771 38.487 0.129 0.000 0.985 937 N HN 0.447 nan 8.380 nan 0.000 0.429 938 E N -0.640 119.734 120.200 0.290 0.000 2.256 938 E HA 0.113 4.463 4.350 -0.001 0.000 0.268 938 E C -1.518 175.202 176.600 0.200 0.000 0.877 938 E CA -0.719 55.788 56.400 0.178 0.000 0.757 938 E CB 1.246 31.009 29.700 0.106 0.000 1.183 938 E HN -0.006 nan 8.360 nan 0.000 0.418 939 W N 8.106 129.134 121.300 -0.454 0.000 2.295 939 W HA 0.393 5.053 4.660 -0.001 0.000 0.333 939 W C -1.240 175.097 176.519 -0.304 0.000 0.990 939 W CA -1.484 55.447 57.345 -0.690 0.000 1.453 939 W CB -0.087 28.451 29.460 -1.536 0.000 1.263 939 W HN 0.468 nan 8.180 nan 0.000 0.380 940 I N 6.093 126.775 120.570 0.187 0.000 2.496 940 I HA 0.221 4.390 4.170 -0.001 0.000 0.285 940 I C 1.475 177.592 176.117 0.001 0.000 1.080 940 I CA 1.013 62.342 61.300 0.049 0.000 1.404 940 I CB 0.455 38.509 38.000 0.089 0.000 1.403 940 I HN 0.777 nan 8.210 nan 0.000 0.539 941 G N 4.326 113.038 108.800 -0.147 0.000 2.141 941 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.242 941 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.242 941 G C 0.404 175.068 174.900 -0.393 0.000 0.982 941 G CA -0.070 44.927 45.100 -0.173 0.000 0.662 941 G HN 0.990 nan 8.290 nan 0.000 0.527 942 A N -0.360 121.965 122.820 -0.825 0.000 2.498 942 A HA 0.572 4.892 4.320 -0.001 0.000 0.239 942 A C 0.570 177.734 177.584 -0.701 0.000 1.068 942 A CA 0.795 51.989 52.037 -1.405 0.000 0.766 942 A CB 0.253 18.084 19.000 -1.948 0.000 1.003 942 A HN 0.632 nan 8.150 nan 0.000 0.497 943 Q N 0.658 120.125 119.800 -0.555 0.000 2.351 943 Q HA 0.528 4.868 4.340 -0.001 0.000 0.273 943 Q C 1.037 176.913 176.000 -0.205 0.000 1.077 943 Q CA -0.232 55.406 55.803 -0.276 0.000 0.843 943 Q CB 1.921 30.565 28.738 -0.157 0.000 1.367 943 Q HN 0.795 nan 8.270 nan 0.000 0.449 944 G N 0.074 108.792 108.800 -0.138 0.000 2.683 944 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.213 944 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.213 944 G C 0.171 175.034 174.900 -0.061 0.000 1.142 944 G CA 0.524 45.557 45.100 -0.111 0.000 0.793 944 G HN 0.437 nan 8.290 nan 0.000 0.534 945 Q N -1.374 118.407 119.800 -0.031 0.000 2.527 945 Q HA 0.509 4.849 4.340 -0.001 0.000 0.280 945 Q C -2.390 173.620 176.000 0.017 0.000 0.977 945 Q CA -0.914 54.885 55.803 -0.006 0.000 0.837 945 Q CB 2.092 30.812 28.738 -0.030 0.000 1.454 945 Q HN 0.045 nan 8.270 nan 0.000 0.387 946 F N 1.198 121.048 119.950 -0.167 0.000 2.569 946 F HA 0.648 5.174 4.527 -0.001 0.000 0.312 946 F C 0.494 176.037 175.800 -0.429 0.000 1.109 946 F CA 0.471 58.305 58.000 -0.277 0.000 0.919 946 F CB 2.078 40.922 39.000 -0.261 0.000 1.211 946 F HN 0.674 nan 8.300 nan 0.000 0.446 947 G N 3.043 110.815 108.800 -1.713 0.000 2.141 947 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.231 947 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.231 947 G C 1.026 175.245 174.900 -1.136 0.000 0.984 947 G CA 0.254 44.101 45.100 -2.090 0.000 0.660 947 G HN 1.575 nan 8.290 nan 0.000 0.525 948 G N 1.114 109.545 108.800 -0.615 0.000 2.470 948 G HA2 0.029 3.989 3.960 -0.001 0.000 0.220 948 G HA3 0.029 3.989 3.960 -0.001 0.000 0.220 948 G C 1.216 176.053 174.900 -0.104 0.000 1.121 948 G CA 1.753 46.726 45.100 -0.212 0.000 0.766 948 G HN 0.834 nan 8.290 nan 0.000 0.553 949 D N -0.786 119.471 120.400 -0.237 0.000 2.340 949 D HA 0.026 4.665 4.640 -0.001 0.000 0.217 949 D C 0.323 176.624 176.300 0.002 0.000 1.081 949 D CA -0.470 53.483 54.000 -0.078 0.000 0.842 949 D CB -0.858 39.901 40.800 -0.068 0.000 0.934 949 D HN 0.456 nan 8.370 nan 0.000 0.511 950 H N 0.930 119.895 119.070 -0.175 0.000 2.652 950 H HA 0.266 4.822 4.556 -0.001 0.000 0.349 950 H C -2.005 173.292 175.328 -0.053 0.000 1.099 950 H CA -1.849 54.118 56.048 -0.134 0.000 1.417 950 H CB 0.714 30.348 29.762 -0.214 0.000 1.457 950 H HN -0.020 nan 8.280 nan 0.000 0.568 951 P HA -0.050 nan 4.420 nan 0.000 0.268 951 P C -0.628 176.737 177.300 0.109 0.000 1.205 951 P CA 0.044 63.205 63.100 0.101 0.000 0.771 951 P CB 0.745 32.483 31.700 0.063 0.000 0.858 952 S N 2.089 117.887 115.700 0.164 0.000 2.434 952 S HA 0.593 5.062 4.470 -0.001 0.000 0.318 952 S C -0.054 174.647 174.600 0.169 0.000 1.062 952 S CA -0.569 57.755 58.200 0.207 0.000 1.116 952 S CB -0.610 62.826 63.200 0.393 0.000 0.977 952 S HN 0.488 nan 8.310 nan 0.000 0.480 953 A N 4.429 127.343 122.820 0.155 0.000 2.304 953 A HA 0.549 4.868 4.320 -0.001 0.000 0.271 953 A C 0.513 178.157 177.584 0.100 0.000 1.091 953 A CA -0.603 51.504 52.037 0.116 0.000 0.812 953 A CB 0.231 19.299 19.000 0.112 0.000 1.056 953 A HN 0.917 nan 8.150 nan 0.000 0.489 954 R N -0.009 120.519 120.500 0.047 0.000 2.697 954 R HA -0.043 4.296 4.340 -0.001 0.000 0.265 954 R C 1.431 177.734 176.300 0.005 0.000 1.009 954 R CA 1.024 57.125 56.100 0.002 0.000 1.099 954 R CB 0.323 30.612 30.300 -0.019 0.000 0.965 954 R HN 0.912 nan 8.270 nan 0.000 0.428 955 E N 1.677 121.839 120.200 -0.062 0.000 2.204 955 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 955 E C 0.323 176.950 176.600 0.045 0.000 0.990 955 E CA 1.513 57.856 56.400 -0.095 0.000 0.821 955 E CB -0.072 29.546 29.700 -0.136 0.000 0.750 955 E HN 0.772 nan 8.360 nan 0.000 0.477 956 D N 0.626 121.017 120.400 -0.015 0.000 2.349 956 D HA -0.009 4.630 4.640 -0.001 0.000 0.224 956 D C 0.340 176.639 176.300 -0.001 0.000 1.029 956 D CA -0.070 53.886 54.000 -0.074 0.000 0.879 956 D CB -0.029 40.670 40.800 -0.168 0.000 0.906 956 D HN 0.168 nan 8.370 nan 0.000 0.528 957 L N 0.781 122.048 121.223 0.075 0.000 2.309 957 L HA 0.523 4.862 4.340 -0.001 0.000 0.282 957 L C -1.121 175.874 176.870 0.209 0.000 1.036 957 L CA -0.466 54.436 54.840 0.103 0.000 0.806 957 L CB 1.642 43.752 42.059 0.084 0.000 1.220 957 L HN -0.209 nan 8.230 nan 0.000 0.429 958 D N 2.370 122.913 120.400 0.240 0.000 2.671 958 D HA 0.359 4.999 4.640 -0.001 0.000 0.232 958 D C -1.329 175.133 176.300 0.269 0.000 1.114 958 D CA -0.265 53.902 54.000 0.278 0.000 0.858 958 D CB 2.394 43.406 40.800 0.353 0.000 1.544 958 D HN 0.229 nan 8.370 nan 0.000 0.471 959 V N 3.581 123.632 119.914 0.228 0.000 2.267 959 V HA 0.121 4.241 4.120 -0.001 0.000 0.254 959 V C 1.315 177.547 176.094 0.231 0.000 1.144 959 V CA -0.006 62.441 62.300 0.244 0.000 0.992 959 V CB 0.423 32.378 31.823 0.219 0.000 1.199 959 V HN 0.597 nan 8.190 nan 0.000 0.493 960 S N 3.148 119.013 115.700 0.275 0.000 2.382 960 S HA -0.026 4.444 4.470 -0.001 0.000 0.228 960 S C 0.670 175.331 174.600 0.102 0.000 1.027 960 S CA 0.915 59.232 58.200 0.195 0.000 0.991 960 S CB 0.151 63.520 63.200 0.282 0.000 0.823 960 S HN 0.497 nan 8.310 nan 0.000 0.469 961 V N 1.435 121.448 119.914 0.164 0.000 2.686 961 V HA 0.526 4.646 4.120 -0.001 0.000 0.306 961 V C -0.793 175.380 176.094 0.131 0.000 1.065 961 V CA -0.552 61.822 62.300 0.123 0.000 0.894 961 V CB 1.900 33.819 31.823 0.160 0.000 1.004 961 V HN 0.376 nan 8.190 nan 0.000 0.424 962 M N 5.652 125.250 119.600 -0.003 0.000 2.204 962 M HA 0.686 5.166 4.480 -0.001 0.000 0.293 962 M C -1.079 175.062 176.300 -0.266 0.000 0.994 962 M CA -0.483 54.686 55.300 -0.218 0.000 0.925 962 M CB 1.484 33.962 32.600 -0.204 0.000 1.577 962 M HN 0.743 nan 8.290 nan 0.000 0.439 963 R N 4.093 124.363 120.500 -0.383 0.000 2.510 963 R HA 0.433 4.772 4.340 -0.001 0.000 0.287 963 R C -1.438 174.635 176.300 -0.379 0.000 1.084 963 R CA -0.691 55.231 56.100 -0.296 0.000 0.934 963 R CB 1.862 32.067 30.300 -0.159 0.000 1.201 963 R HN 0.909 nan 8.270 nan 0.000 0.431 964 R N 4.451 124.784 120.500 -0.278 0.000 2.442 964 R HA 0.150 4.489 4.340 -0.001 0.000 0.291 964 R C 0.209 176.395 176.300 -0.190 0.000 1.069 964 R CA 0.041 56.002 56.100 -0.231 0.000 1.022 964 R CB 0.638 30.858 30.300 -0.132 0.000 0.976 964 R HN 0.705 nan 8.270 nan 0.000 0.443 965 L N 2.937 124.040 121.223 -0.200 0.000 2.616 965 L HA 0.145 4.485 4.340 -0.001 0.000 0.229 965 L C 0.306 177.120 176.870 -0.093 0.000 1.110 965 L CA 0.051 54.792 54.840 -0.164 0.000 0.884 965 L CB 0.434 42.361 42.059 -0.221 0.000 1.115 965 L HN 0.720 nan 8.230 nan 0.000 0.481 966 T N -2.689 111.822 114.554 -0.071 0.000 2.887 966 T HA 0.446 4.795 4.350 -0.001 0.000 0.288 966 T C -0.229 174.462 174.700 -0.016 0.000 1.021 966 T CA -0.908 61.169 62.100 -0.038 0.000 1.000 966 T CB 2.441 71.292 68.868 -0.029 0.000 1.034 966 T HN -0.087 nan 8.240 nan 0.000 0.467 967 K N 0.901 121.298 120.400 -0.006 0.000 2.117 967 K HA 0.326 4.645 4.320 -0.001 0.000 0.240 967 K C 1.632 178.244 176.600 0.020 0.000 1.031 967 K CA -0.255 56.040 56.287 0.013 0.000 0.909 967 K CB 0.542 33.048 32.500 0.010 0.000 1.097 967 K HN 0.804 nan 8.250 nan 0.000 0.492 968 S N -0.668 115.053 115.700 0.035 0.000 2.447 968 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 968 S C 1.751 176.364 174.600 0.022 0.000 1.006 968 S CA 1.382 59.602 58.200 0.033 0.000 0.957 968 S CB -0.359 62.868 63.200 0.044 0.000 0.773 968 S HN 0.621 nan 8.310 nan 0.000 0.507 969 S N 1.667 117.378 115.700 0.019 0.000 2.481 969 S HA 0.374 4.844 4.470 -0.001 0.000 0.231 969 S C 0.868 175.473 174.600 0.008 0.000 0.996 969 S CA 0.132 58.340 58.200 0.014 0.000 0.942 969 S CB -0.668 62.539 63.200 0.012 0.000 0.768 969 S HN 0.785 nan 8.310 nan 0.000 0.520 970 A N 1.986 124.809 122.820 0.005 0.000 2.451 970 A HA 0.373 4.693 4.320 -0.001 0.000 0.266 970 A C 1.260 178.847 177.584 0.005 0.000 1.119 970 A CA -0.366 51.672 52.037 0.001 0.000 0.786 970 A CB 0.201 19.198 19.000 -0.006 0.000 1.061 970 A HN 0.467 nan 8.150 nan 0.000 0.503 971 K N 1.916 122.318 120.400 0.003 0.000 2.063 971 K HA -0.096 4.224 4.320 -0.001 0.000 0.208 971 K C 0.111 176.717 176.600 0.010 0.000 1.048 971 K CA 1.727 58.018 56.287 0.007 0.000 0.928 971 K CB -0.041 32.461 32.500 0.003 0.000 0.713 971 K HN 0.638 nan 8.250 nan 0.000 0.442 972 T N 2.465 117.021 114.554 0.004 0.000 2.753 972 T HA 0.187 4.537 4.350 -0.001 0.000 0.297 972 T C -0.856 173.853 174.700 0.015 0.000 0.981 972 T CA -0.717 61.387 62.100 0.007 0.000 0.956 972 T CB 1.453 70.313 68.868 -0.013 0.000 0.936 972 T HN 0.094 nan 8.240 nan 0.000 0.463 973 Q N 2.724 122.552 119.800 0.046 0.000 2.340 973 Q HA 0.413 4.752 4.340 -0.001 0.000 0.249 973 Q C 0.081 176.130 176.000 0.081 0.000 0.957 973 Q CA 0.017 55.851 55.803 0.053 0.000 0.882 973 Q CB 1.324 30.098 28.738 0.060 0.000 1.235 973 Q HN 0.551 nan 8.270 nan 0.000 0.439 974 R N 0.304 120.819 120.500 0.025 0.000 2.628 974 R HA 0.669 5.008 4.340 -0.001 0.000 0.288 974 R C -1.089 175.162 176.300 -0.081 0.000 0.980 974 R CA -0.670 55.428 56.100 -0.004 0.000 0.891 974 R CB 1.852 32.115 30.300 -0.062 0.000 1.188 974 R HN 0.252 nan 8.270 nan 0.000 0.450 975 V N 1.450 121.313 119.914 -0.086 0.000 2.577 975 V HA 0.593 4.713 4.120 -0.001 0.000 0.303 975 V C 0.145 175.969 176.094 -0.449 0.000 1.042 975 V CA -0.850 61.269 62.300 -0.301 0.000 0.872 975 V CB 2.083 33.736 31.823 -0.284 0.000 0.998 975 V HN 0.948 nan 8.190 nan 0.000 0.423 976 G N 2.941 111.281 108.800 -0.766 0.000 2.371 976 G HA2 0.665 4.624 3.960 -0.001 0.000 0.326 976 G HA3 0.665 4.624 3.960 -0.001 0.000 0.326 976 G C -1.653 172.851 174.900 -0.660 0.000 1.127 976 G CA -0.282 44.236 45.100 -0.970 0.000 0.885 976 G HN 0.505 nan 8.290 nan 0.000 0.477 977 Y N 0.333 120.741 120.300 0.180 0.000 2.442 977 Y HA 0.464 5.013 4.550 -0.001 0.000 0.344 977 Y C -0.149 176.016 175.900 0.441 0.000 0.976 977 Y CA -0.902 57.375 58.100 0.295 0.000 1.040 977 Y CB 2.763 41.360 38.460 0.229 0.000 1.228 977 Y HN 0.348 nan 8.280 nan 0.000 0.451 978 V N 5.023 125.229 119.914 0.487 0.000 2.370 978 V HA 0.361 4.480 4.120 -0.001 0.000 0.283 978 V C -0.421 175.897 176.094 0.374 0.000 1.023 978 V CA -0.739 61.771 62.300 0.350 0.000 0.857 978 V CB 1.478 33.462 31.823 0.268 0.000 0.985 978 V HN 0.627 nan 8.190 nan 0.000 0.443 979 L N 4.679 126.108 121.223 0.344 0.000 2.296 979 L HA 0.579 4.919 4.340 -0.001 0.000 0.286 979 L C -0.896 176.172 176.870 0.329 0.000 1.023 979 L CA -0.573 54.464 54.840 0.329 0.000 0.812 979 L CB 1.518 43.768 42.059 0.318 0.000 1.223 979 L HN 0.746 nan 8.230 nan 0.000 0.421 980 H N 4.370 123.593 119.070 0.255 0.000 2.547 980 H HA 0.423 4.978 4.556 -0.001 0.000 0.342 980 H C -1.003 174.413 175.328 0.147 0.000 1.048 980 H CA -0.519 55.651 56.048 0.203 0.000 1.204 980 H CB 1.342 31.296 29.762 0.320 0.000 1.493 980 H HN 0.432 nan 8.280 nan 0.000 0.511 981 R N 4.125 124.265 120.500 -0.601 0.000 2.343 981 R HA 0.277 4.616 4.340 -0.001 0.000 0.320 981 R C -0.235 175.642 176.300 -0.704 0.000 0.956 981 R CA -0.447 55.373 56.100 -0.467 0.000 0.836 981 R CB 1.334 31.497 30.300 -0.228 0.000 1.151 981 R HN 0.764 nan 8.270 nan 0.000 0.450 982 T N 1.387 115.680 114.554 -0.435 0.000 2.833 982 T HA 0.179 4.529 4.350 -0.001 0.000 0.292 982 T C -0.489 174.040 174.700 -0.285 0.000 1.031 982 T CA -0.420 61.516 62.100 -0.273 0.000 0.937 982 T CB 0.591 69.371 68.868 -0.148 0.000 1.256 982 T HN 0.650 nan 8.240 nan 0.000 0.551 983 N N 0.525 119.081 118.700 -0.239 0.000 2.410 983 N HA 0.469 5.208 4.740 -0.001 0.000 0.287 983 N C -1.493 173.863 175.510 -0.257 0.000 1.044 983 N CA -0.483 52.372 53.050 -0.326 0.000 0.881 983 N CB 0.680 38.825 38.487 -0.570 0.000 1.405 983 N HN 0.469 nan 8.380 nan 0.000 0.490 984 L N 2.701 123.768 121.223 -0.260 0.000 2.331 984 L HA 0.551 4.891 4.340 -0.001 0.000 0.275 984 L C 0.506 177.255 176.870 -0.202 0.000 1.022 984 L CA -0.970 53.750 54.840 -0.200 0.000 0.812 984 L CB 1.622 43.573 42.059 -0.180 0.000 1.257 984 L HN 0.378 nan 8.230 nan 0.000 0.435 985 M N 1.985 121.486 119.600 -0.166 0.000 2.248 985 M HA 0.098 4.577 4.480 -0.001 0.000 0.337 985 M C -0.181 176.035 176.300 -0.141 0.000 1.121 985 M CA -0.146 55.059 55.300 -0.159 0.000 1.155 985 M CB 0.459 32.971 32.600 -0.146 0.000 1.514 985 M HN 0.451 nan 8.290 nan 0.000 0.452 986 Q N 1.744 121.465 119.800 -0.131 0.000 2.314 986 Q HA 0.205 4.545 4.340 -0.001 0.000 0.257 986 Q C -0.293 175.653 176.000 -0.091 0.000 0.975 986 Q CA 0.104 55.843 55.803 -0.106 0.000 0.933 986 Q CB 0.933 29.612 28.738 -0.098 0.000 1.195 986 Q HN 0.804 nan 8.270 nan 0.000 0.426 987 c N 0.524 119.074 118.600 -0.084 0.000 3.240 987 c HA 0.407 4.976 4.570 -0.001 0.000 0.271 987 c C 1.270 175.324 174.090 -0.060 0.000 1.534 987 c CA 0.017 56.302 56.329 -0.074 0.000 1.796 987 c CB -0.259 42.201 42.510 -0.083 0.000 2.892 987 c HN 0.993 nan 8.230 nan 0.000 0.566 988 G N 1.148 109.915 108.800 -0.056 0.000 2.179 988 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.220 988 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.220 988 G C 0.018 174.893 174.900 -0.042 0.000 0.990 988 G CA 0.255 45.327 45.100 -0.045 0.000 0.646 988 G HN 0.427 nan 8.290 nan 0.000 0.517 989 T N 2.296 116.821 114.554 -0.048 0.000 2.729 989 T HA 0.460 4.810 4.350 -0.001 0.000 0.296 989 T C -0.604 174.070 174.700 -0.043 0.000 0.928 989 T CA -0.441 61.633 62.100 -0.044 0.000 1.045 989 T CB 1.762 70.601 68.868 -0.049 0.000 0.902 989 T HN 0.021 nan 8.240 nan 0.000 0.500 990 P HA -0.096 nan 4.420 nan 0.000 0.218 990 P C 0.072 177.347 177.300 -0.041 0.000 1.146 990 P CA 0.474 63.556 63.100 -0.029 0.000 0.813 990 P CB -0.080 31.613 31.700 -0.013 0.000 0.778 991 E N 0.482 120.651 120.200 -0.052 0.000 0.704 991 E HA -0.211 4.139 4.350 -0.001 0.000 0.351 991 E C 0.268 176.804 176.600 -0.106 0.000 0.925 991 E CA 0.567 56.915 56.400 -0.086 0.000 1.318 991 E CB -0.176 29.470 29.700 -0.089 0.000 0.430 991 E HN 0.400 nan 8.360 nan 0.000 0.355 992 E N 1.100 121.207 120.200 -0.155 0.000 2.604 992 E HA 0.177 4.527 4.350 -0.001 0.000 0.201 992 E C -0.364 176.038 176.600 -0.330 0.000 0.728 992 E CA -0.662 55.657 56.400 -0.135 0.000 1.030 992 E CB -0.094 29.632 29.700 0.043 0.000 1.759 992 E HN 0.699 nan 8.360 nan 0.000 0.377 993 H N 0.253 119.319 119.070 -0.008 0.000 1.615 993 H HA -0.100 4.456 4.556 -0.001 0.000 0.306 993 H C -0.605 174.732 175.328 0.014 0.000 0.738 993 H CA 0.799 56.847 56.048 -0.000 0.000 1.038 993 H CB -1.549 28.210 29.762 -0.004 0.000 1.431 993 H HN 0.360 nan 8.280 nan 0.000 0.228 994 T N 0.683 115.251 114.554 0.022 0.000 2.883 994 T HA 0.562 4.912 4.350 -0.001 0.000 0.296 994 T C -0.353 174.383 174.700 0.060 0.000 1.117 994 T CA -1.323 60.798 62.100 0.035 0.000 1.006 994 T CB 2.290 71.155 68.868 -0.004 0.000 1.191 994 T HN 0.711 nan 8.240 nan 0.000 0.508 995 Q N 0.602 120.447 119.800 0.075 0.000 2.235 995 Q HA 0.443 4.782 4.340 -0.001 0.000 0.256 995 Q C -0.414 175.610 176.000 0.041 0.000 0.951 995 Q CA -1.013 54.826 55.803 0.060 0.000 0.890 995 Q CB 1.931 30.715 28.738 0.076 0.000 1.279 995 Q HN 0.652 nan 8.270 nan 0.000 0.444 996 K N 1.751 122.164 120.400 0.021 0.000 2.401 996 K HA 0.107 4.426 4.320 -0.001 0.000 0.278 996 K C -1.028 175.574 176.600 0.004 0.000 1.018 996 K CA -0.283 56.008 56.287 0.006 0.000 0.981 996 K CB 0.374 32.868 32.500 -0.010 0.000 0.933 996 K HN 0.427 nan 8.250 nan 0.000 0.477 997 L N 4.672 125.895 121.223 -0.001 0.000 2.265 997 L HA 0.300 4.639 4.340 -0.001 0.000 0.289 997 L C -1.222 175.614 176.870 -0.057 0.000 1.033 997 L CA -0.072 54.759 54.840 -0.014 0.000 0.814 997 L CB 1.240 43.303 42.059 0.006 0.000 1.203 997 L HN 0.633 nan 8.230 nan 0.000 0.423 998 D N 3.612 123.971 120.400 -0.068 0.000 2.472 998 D HA 0.154 4.793 4.640 -0.001 0.000 0.234 998 D C 1.093 177.300 176.300 -0.155 0.000 1.088 998 D CA -0.270 53.669 54.000 -0.102 0.000 0.882 998 D CB 1.281 42.068 40.800 -0.023 0.000 1.037 998 D HN 0.398 nan 8.370 nan 0.000 0.520 999 V N 1.421 121.148 119.914 -0.311 0.000 2.720 999 V HA -0.176 3.943 4.120 -0.001 0.000 0.256 999 V C 2.103 177.886 176.094 -0.518 0.000 1.082 999 V CA 1.040 62.977 62.300 -0.604 0.000 1.101 999 V CB -1.086 30.102 31.823 -1.058 0.000 0.693 999 V HN 0.604 nan 8.190 nan 0.000 0.479 1000 c N 0.537 118.972 118.600 -0.274 0.000 2.456 1000 c HA 0.037 4.607 4.570 -0.001 0.000 0.279 1000 c C 2.081 176.065 174.090 -0.177 0.000 1.427 1000 c CA 1.193 57.427 56.329 -0.159 0.000 1.778 1000 c CB -1.780 40.629 42.510 -0.169 0.000 1.842 1000 c HN 0.772 nan 8.230 nan 0.000 0.531 1001 H N -1.032 118.020 119.070 -0.032 0.000 2.542 1001 H HA 0.265 4.821 4.556 -0.001 0.000 0.283 1001 H C 1.693 177.055 175.328 0.057 0.000 1.059 1001 H CA -0.034 56.035 56.048 0.035 0.000 1.162 1001 H CB 0.078 29.843 29.762 0.006 0.000 1.539 1001 H HN 0.335 nan 8.280 nan 0.000 0.543 1002 L N -0.120 121.163 121.223 0.100 0.000 2.141 1002 L HA -0.019 4.320 4.340 -0.001 0.000 0.209 1002 L C 0.179 177.192 176.870 0.239 0.000 1.094 1002 L CA 0.903 55.828 54.840 0.141 0.000 0.763 1002 L CB 0.115 42.224 42.059 0.083 0.000 0.908 1002 L HN 0.211 nan 8.230 nan 0.000 0.437 1003 L N 0.034 121.359 121.223 0.170 0.000 2.331 1003 L HA 0.390 4.730 4.340 -0.001 0.000 0.275 1003 L C -2.066 174.862 176.870 0.096 0.000 1.022 1003 L CA -1.986 52.886 54.840 0.054 0.000 0.812 1003 L CB 1.574 43.433 42.059 -0.334 0.000 1.257 1003 L HN -0.198 nan 8.230 nan 0.000 0.435 1004 P HA 0.121 nan 4.420 nan 0.000 0.274 1004 P C -0.918 176.503 177.300 0.201 0.000 1.256 1004 P CA -0.265 62.914 63.100 0.132 0.000 0.795 1004 P CB 0.398 32.151 31.700 0.089 0.000 1.038 1005 N N -3.046 115.752 118.700 0.164 0.000 2.738 1005 N HA -0.149 4.590 4.740 -0.001 0.000 0.249 1005 N C -0.054 175.540 175.510 0.140 0.000 1.047 1005 N CA 0.090 53.225 53.050 0.141 0.000 0.707 1005 N CB -1.993 36.566 38.487 0.120 0.000 0.937 1005 N HN 0.267 nan 8.380 nan 0.000 0.545 1006 V N -0.002 119.947 119.914 0.059 0.000 2.572 1006 V HA 0.455 4.574 4.120 -0.001 0.000 0.291 1006 V C 1.185 177.184 176.094 -0.158 0.000 1.039 1006 V CA 0.936 63.105 62.300 -0.218 0.000 1.055 1006 V CB 1.163 32.759 31.823 -0.379 0.000 0.969 1006 V HN 0.451 nan 8.190 nan 0.000 0.482 1007 A N 7.117 129.818 122.820 -0.197 0.000 2.167 1007 A HA 0.465 4.785 4.320 -0.001 0.000 0.208 1007 A C 1.026 178.564 177.584 -0.077 0.000 1.198 1007 A CA 0.080 52.060 52.037 -0.096 0.000 0.863 1007 A CB 0.231 19.186 19.000 -0.075 0.000 0.904 1007 A HN 0.765 nan 8.150 nan 0.000 0.484 1008 R N -1.801 118.622 120.500 -0.128 0.000 2.664 1008 R HA 0.479 4.818 4.340 -0.001 0.000 0.266 1008 R C -2.323 173.939 176.300 -0.062 0.000 1.046 1008 R CA -0.365 55.711 56.100 -0.040 0.000 0.885 1008 R CB 1.478 31.739 30.300 -0.064 0.000 1.254 1008 R HN 0.292 nan 8.270 nan 0.000 0.465 1009 c N 2.537 121.163 118.600 0.044 0.000 2.431 1009 c HA 0.625 5.194 4.570 -0.001 0.000 0.321 1009 c C -1.188 172.996 174.090 0.158 0.000 1.202 1009 c CA -0.193 56.168 56.329 0.052 0.000 1.398 1009 c CB 1.267 43.776 42.510 -0.001 0.000 2.047 1009 c HN 0.917 nan 8.230 nan 0.000 0.465 1010 E N 2.866 123.175 120.200 0.182 0.000 2.293 1010 E HA 0.440 4.789 4.350 -0.001 0.000 0.270 1010 E C -1.003 175.769 176.600 0.287 0.000 0.879 1010 E CA -0.606 55.918 56.400 0.207 0.000 0.756 1010 E CB 1.907 31.682 29.700 0.125 0.000 1.208 1010 E HN 0.650 nan 8.360 nan 0.000 0.428 1011 R N 1.448 122.101 120.500 0.256 0.000 2.357 1011 R HA 0.349 4.689 4.340 -0.001 0.000 0.296 1011 R C -0.489 175.844 176.300 0.056 0.000 1.052 1011 R CA 0.114 56.291 56.100 0.128 0.000 0.988 1011 R CB 0.665 31.013 30.300 0.079 0.000 1.025 1011 R HN 0.685 nan 8.270 nan 0.000 0.469 1012 T N -0.310 114.251 114.554 0.012 0.000 2.864 1012 T HA 0.364 4.713 4.350 -0.001 0.000 0.289 1012 T C 0.091 174.773 174.700 -0.030 0.000 1.082 1012 T CA -0.769 61.355 62.100 0.040 0.000 1.009 1012 T CB 1.356 70.316 68.868 0.154 0.000 1.234 1012 T HN 0.621 nan 8.240 nan 0.000 0.526 1013 T N 0.149 114.689 114.554 -0.024 0.000 2.795 1013 T HA 0.215 4.565 4.350 -0.001 0.000 0.314 1013 T C 1.603 176.219 174.700 -0.140 0.000 1.069 1013 T CA -0.699 61.364 62.100 -0.062 0.000 1.071 1013 T CB -0.063 68.787 68.868 -0.030 0.000 0.988 1013 T HN 0.565 nan 8.240 nan 0.000 0.543 1014 L N 0.967 122.092 121.223 -0.164 0.000 2.362 1014 L HA -0.028 4.311 4.340 -0.001 0.000 0.219 1014 L C 2.847 179.424 176.870 -0.489 0.000 1.134 1014 L CA 1.387 56.059 54.840 -0.279 0.000 0.807 1014 L CB -1.039 40.940 42.059 -0.133 0.000 0.927 1014 L HN 0.983 nan 8.230 nan 0.000 0.447 1015 T N -4.721 109.654 114.554 -0.298 0.000 3.129 1015 T HA 0.028 4.377 4.350 -0.001 0.000 0.251 1015 T C 0.850 175.455 174.700 -0.157 0.000 1.117 1015 T CA -0.161 61.802 62.100 -0.228 0.000 1.034 1015 T CB -0.311 68.543 68.868 -0.023 0.000 0.968 1015 T HN 0.321 nan 8.240 nan 0.000 0.526 1016 F N -0.799 119.163 119.950 0.020 0.000 2.794 1016 F HA -0.219 4.308 4.527 -0.001 0.000 0.335 1016 F C 1.109 176.908 175.800 -0.000 0.000 0.653 1016 F CA 0.154 58.158 58.000 0.007 0.000 1.266 1016 F CB -2.155 36.845 39.000 0.000 0.000 1.666 1016 F HN 0.204 nan 8.300 nan 0.000 0.314 1017 L N -0.520 120.775 121.223 0.120 0.000 2.509 1017 L HA 0.079 4.419 4.340 -0.001 0.000 0.222 1017 L C 0.988 177.880 176.870 0.037 0.000 1.123 1017 L CA 0.978 55.859 54.840 0.069 0.000 0.856 1017 L CB 0.126 42.210 42.059 0.042 0.000 0.985 1017 L HN 0.329 nan 8.230 nan 0.000 0.456 1018 Q N 0.397 120.218 119.800 0.036 0.000 2.305 1018 Q HA 0.277 4.617 4.340 -0.001 0.000 0.271 1018 Q C -1.214 174.802 176.000 0.027 0.000 1.046 1018 Q CA -0.712 55.100 55.803 0.015 0.000 0.798 1018 Q CB 1.966 30.699 28.738 -0.007 0.000 1.286 1018 Q HN 0.077 nan 8.270 nan 0.000 0.435 1019 N N 4.248 122.962 118.700 0.023 0.000 2.488 1019 N HA 0.217 4.956 4.740 -0.001 0.000 0.274 1019 N C 0.252 175.778 175.510 0.027 0.000 1.111 1019 N CA 0.165 53.235 53.050 0.034 0.000 0.974 1019 N CB 1.168 39.669 38.487 0.023 0.000 1.089 1019 N HN 0.640 nan 8.380 nan 0.000 0.465 1020 L N 0.417 121.661 121.223 0.036 0.000 2.537 1020 L HA 0.312 4.651 4.340 -0.001 0.000 0.224 1020 L C 0.573 177.472 176.870 0.048 0.000 1.065 1020 L CA 0.379 55.235 54.840 0.027 0.000 0.860 1020 L CB 0.382 42.446 42.059 0.009 0.000 1.086 1020 L HN 0.516 nan 8.230 nan 0.000 0.482 1021 E N -0.417 119.831 120.200 0.079 0.000 2.354 1021 E HA 0.135 4.484 4.350 -0.001 0.000 0.283 1021 E C -1.361 175.342 176.600 0.171 0.000 0.938 1021 E CA -0.550 55.914 56.400 0.108 0.000 0.777 1021 E CB 1.587 31.345 29.700 0.096 0.000 1.222 1021 E HN 0.115 nan 8.360 nan 0.000 0.423 1022 H N 5.826 124.922 119.070 0.043 0.000 2.604 1022 H HA 0.336 4.892 4.556 -0.001 0.000 0.306 1022 H C -0.728 174.625 175.328 0.041 0.000 1.075 1022 H CA -0.632 55.438 56.048 0.037 0.000 1.357 1022 H CB 0.664 30.438 29.762 0.021 0.000 1.426 1022 H HN 0.348 nan 8.280 nan 0.000 0.470 1023 L N 5.270 126.544 121.223 0.086 0.000 2.292 1023 L HA 0.119 4.458 4.340 -0.001 0.000 0.284 1023 L C 0.153 176.941 176.870 -0.137 0.000 1.065 1023 L CA -0.876 53.952 54.840 -0.021 0.000 0.806 1023 L CB 1.066 43.158 42.059 0.055 0.000 1.175 1023 L HN 0.676 nan 8.230 nan 0.000 0.431 1024 D N 2.577 122.899 120.400 -0.129 0.000 2.488 1024 D HA 0.128 4.768 4.640 -0.001 0.000 0.238 1024 D C 1.199 177.466 176.300 -0.056 0.000 1.138 1024 D CA 1.213 55.142 54.000 -0.119 0.000 0.873 1024 D CB 1.160 41.913 40.800 -0.079 0.000 1.183 1024 D HN 0.836 nan 8.370 nan 0.000 0.458 1025 G N 2.595 111.371 108.800 -0.040 0.000 2.166 1025 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.260 1025 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.260 1025 G C 0.750 175.696 174.900 0.076 0.000 0.986 1025 G CA 0.617 45.725 45.100 0.014 0.000 0.683 1025 G HN 0.596 nan 8.290 nan 0.000 0.527 1026 M N -2.669 116.954 119.600 0.038 0.000 2.576 1026 M HA -0.165 4.314 4.480 -0.001 0.000 0.200 1026 M C 0.290 176.631 176.300 0.070 0.000 0.487 1026 M CA 1.047 56.368 55.300 0.034 0.000 0.553 1026 M CB -1.810 30.784 32.600 -0.009 0.000 2.042 1026 M HN 0.343 nan 8.290 nan 0.000 0.758 1027 V N 0.522 120.466 119.914 0.050 0.000 2.435 1027 V HA 0.808 4.927 4.120 -0.001 0.000 0.290 1027 V C 0.610 176.636 176.094 -0.113 0.000 1.030 1027 V CA -0.450 61.862 62.300 0.020 0.000 0.881 1027 V CB 1.850 33.675 31.823 0.004 0.000 0.983 1027 V HN 0.369 nan 8.190 nan 0.000 0.445 1028 A N 7.590 130.259 122.820 -0.252 0.000 2.260 1028 A HA 0.777 5.097 4.320 -0.001 0.000 0.312 1028 A C -2.550 174.752 177.584 -0.470 0.000 1.321 1028 A CA -1.550 50.095 52.037 -0.654 0.000 0.928 1028 A CB 0.266 18.619 19.000 -1.077 0.000 1.158 1028 A HN 0.634 nan 8.150 nan 0.000 0.542 1029 P HA 0.208 nan 4.420 nan 0.000 0.275 1029 P C -0.114 177.183 177.300 -0.005 0.000 1.228 1029 P CA -0.197 62.857 63.100 -0.077 0.000 0.786 1029 P CB 0.622 32.337 31.700 0.026 0.000 0.927 1030 E N 0.073 120.280 120.200 0.011 0.000 2.392 1030 E HA 0.223 4.572 4.350 -0.001 0.000 0.256 1030 E C 0.119 176.773 176.600 0.090 0.000 1.145 1030 E CA -0.711 55.722 56.400 0.055 0.000 0.929 1030 E CB 0.429 30.142 29.700 0.022 0.000 0.998 1030 E HN 0.279 nan 8.360 nan 0.000 0.442 1031 V N -1.365 118.605 119.914 0.093 0.000 2.973 1031 V HA 0.346 4.466 4.120 -0.001 0.000 0.314 1031 V C 0.178 176.276 176.094 0.007 0.000 1.066 1031 V CA -1.095 61.246 62.300 0.068 0.000 1.021 1031 V CB 1.222 33.089 31.823 0.073 0.000 1.076 1031 V HN 0.732 nan 8.190 nan 0.000 0.462 1032 c N 2.279 120.878 118.600 -0.002 0.000 2.500 1032 c HA 0.468 5.037 4.570 -0.001 0.000 0.367 1032 c C -2.121 171.917 174.090 -0.087 0.000 1.283 1032 c CA -0.428 55.882 56.329 -0.033 0.000 2.456 1032 c CB 0.151 42.658 42.510 -0.005 0.000 2.457 1032 c HN 0.807 nan 8.230 nan 0.000 0.632 1033 P HA 0.056 nan 4.420 nan 0.000 0.264 1033 P C 0.253 177.406 177.300 -0.245 0.000 1.193 1033 P CA 0.941 63.910 63.100 -0.219 0.000 0.763 1033 P CB 0.180 31.732 31.700 -0.248 0.000 0.810 1034 M N -1.075 118.333 119.600 -0.320 0.000 2.939 1034 M HA -0.179 4.300 4.480 -0.001 0.000 0.194 1034 M C -0.115 176.192 176.300 0.011 0.000 0.617 1034 M CA 1.373 56.476 55.300 -0.328 0.000 0.734 1034 M CB -2.038 30.044 32.600 -0.863 0.000 2.637 1034 M HN 0.417 nan 8.290 nan 0.000 0.316 1035 E N 0.498 120.699 120.200 0.001 0.000 2.227 1035 E HA 0.698 5.048 4.350 -0.001 0.000 0.268 1035 E C 0.060 176.732 176.600 0.121 0.000 0.990 1035 E CA -0.073 56.402 56.400 0.125 0.000 0.856 1035 E CB 1.444 31.182 29.700 0.064 0.000 1.159 1035 E HN 0.146 nan 8.360 nan 0.000 0.401 1036 T N 0.553 115.192 114.554 0.142 0.000 2.921 1036 T HA 0.669 5.018 4.350 -0.001 0.000 0.297 1036 T C -0.860 173.849 174.700 0.015 0.000 1.013 1036 T CA -0.656 61.532 62.100 0.147 0.000 0.990 1036 T CB 1.586 70.551 68.868 0.161 0.000 1.023 1036 T HN 0.516 nan 8.240 nan 0.000 0.447 1037 A N 1.954 124.782 122.820 0.013 0.000 2.479 1037 A HA 1.013 5.333 4.320 -0.001 0.000 0.296 1037 A C -1.012 176.462 177.584 -0.184 0.000 1.121 1037 A CA -0.942 51.004 52.037 -0.152 0.000 0.743 1037 A CB 1.532 20.381 19.000 -0.252 0.000 1.323 1037 A HN 1.121 nan 8.150 nan 0.000 0.415 1038 A N 0.093 122.716 122.820 -0.328 0.000 2.365 1038 A HA 0.831 5.151 4.320 -0.001 0.000 0.318 1038 A C -1.509 175.896 177.584 -0.298 0.000 1.091 1038 A CA -0.365 51.588 52.037 -0.139 0.000 0.763 1038 A CB 0.788 19.733 19.000 -0.090 0.000 1.248 1038 A HN 0.860 nan 8.150 nan 0.000 0.442 1039 Y N 0.012 120.528 120.300 0.359 0.000 2.524 1039 Y HA 0.573 5.123 4.550 -0.001 0.000 0.347 1039 Y C -0.316 175.765 175.900 0.302 0.000 1.005 1039 Y CA -0.903 57.364 58.100 0.278 0.000 1.025 1039 Y CB 2.635 41.218 38.460 0.205 0.000 1.275 1039 Y HN 0.428 nan 8.280 nan 0.000 0.460 1040 V N 2.344 122.465 119.914 0.345 0.000 2.531 1040 V HA 0.464 4.583 4.120 -0.001 0.000 0.301 1040 V C -0.680 175.498 176.094 0.141 0.000 1.034 1040 V CA -0.892 61.504 62.300 0.161 0.000 0.865 1040 V CB 1.795 33.648 31.823 0.049 0.000 0.995 1040 V HN 0.822 nan 8.190 nan 0.000 0.424 1041 S N 3.416 119.204 115.700 0.147 0.000 2.525 1041 S HA 0.738 5.207 4.470 -0.001 0.000 0.290 1041 S C -0.250 174.274 174.600 -0.126 0.000 1.152 1041 S CA -0.599 57.609 58.200 0.014 0.000 1.072 1041 S CB 1.657 64.947 63.200 0.150 0.000 1.027 1041 S HN 0.558 nan 8.310 nan 0.000 0.500 1042 S N 2.255 117.745 115.700 -0.350 0.000 2.472 1042 S HA 0.529 4.999 4.470 -0.001 0.000 0.303 1042 S C -0.957 173.296 174.600 -0.578 0.000 1.099 1042 S CA -0.768 57.262 58.200 -0.284 0.000 1.077 1042 S CB 0.533 63.642 63.200 -0.151 0.000 1.031 1042 S HN 0.781 nan 8.310 nan 0.000 0.487 1043 H N 0.972 120.028 119.070 -0.024 0.000 2.667 1043 H HA 0.417 4.972 4.556 -0.001 0.000 0.353 1043 H C -0.126 175.195 175.328 -0.012 0.000 1.072 1043 H CA -0.603 55.435 56.048 -0.017 0.000 1.214 1043 H CB 1.775 31.530 29.762 -0.011 0.000 1.600 1043 H HN 0.677 nan 8.280 nan 0.000 0.527 1044 S N 0.000 115.744 115.700 0.073 0.000 2.498 1044 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.226 58.200 0.044 0.000 1.107 1044 S CB 0.000 63.213 63.200 0.022 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517