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 1hxk_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 0.000 174.107 174.090 0.028 0.000 1.270 31 c CA 0.000 56.341 56.329 0.019 0.000 1.963 31 c CB 0.000 42.509 42.510 -0.002 0.000 2.134 32 Q N 1.282 121.115 119.800 0.055 0.000 2.373 32 Q HA 0.190 4.529 4.340 -0.001 0.000 0.255 32 Q C -0.285 175.751 176.000 0.061 0.000 0.980 32 Q CA 0.210 56.059 55.803 0.077 0.000 0.882 32 Q CB 0.840 29.659 28.738 0.134 0.000 1.249 32 Q HN 0.643 nan 8.270 nan 0.000 0.438 33 D N 1.672 122.109 120.400 0.061 0.000 2.339 33 D HA 0.059 4.698 4.640 -0.001 0.000 0.241 33 D C 0.480 176.833 176.300 0.089 0.000 1.183 33 D CA -0.274 53.744 54.000 0.031 0.000 0.859 33 D CB 1.177 41.993 40.800 0.027 0.000 1.067 33 D HN 0.383 nan 8.370 nan 0.000 0.484 34 V N 2.264 122.194 119.914 0.026 0.000 3.646 34 V HA 0.076 4.196 4.120 -0.001 0.000 0.277 34 V C 1.034 177.179 176.094 0.085 0.000 1.274 34 V CA 0.198 62.578 62.300 0.134 0.000 1.164 34 V CB 0.031 31.786 31.823 -0.113 0.000 0.926 34 V HN 0.381 nan 8.190 nan 0.000 0.442 35 V N -0.014 119.872 119.914 -0.047 0.000 2.996 35 V HA 0.085 4.205 4.120 -0.001 0.000 0.235 35 V C 2.249 178.340 176.094 -0.006 0.000 1.205 35 V CA 1.147 63.374 62.300 -0.122 0.000 1.225 35 V CB 0.052 31.743 31.823 -0.221 0.000 0.995 35 V HN 0.494 nan 8.190 nan 0.000 0.484 36 Q N -0.027 119.805 119.800 0.054 0.000 2.392 36 Q HA 0.130 4.469 4.340 -0.001 0.000 0.203 36 Q C -0.493 175.594 176.000 0.144 0.000 0.917 36 Q CA 0.332 56.188 55.803 0.089 0.000 0.939 36 Q CB 0.488 29.248 28.738 0.038 0.000 1.063 36 Q HN 0.496 nan 8.270 nan 0.000 0.516 37 D N 1.387 121.903 120.400 0.194 0.000 2.460 37 D HA 0.167 4.806 4.640 -0.001 0.000 0.232 37 D C -0.715 175.690 176.300 0.175 0.000 1.079 37 D CA -0.260 53.836 54.000 0.159 0.000 0.864 37 D CB 2.012 42.883 40.800 0.119 0.000 1.048 37 D HN -0.151 nan 8.370 nan 0.000 0.523 38 V N 4.446 124.431 119.914 0.119 0.000 2.446 38 V HA 0.091 4.210 4.120 -0.001 0.000 0.276 38 V C -1.846 174.219 176.094 -0.047 0.000 1.030 38 V CA -1.041 61.243 62.300 -0.026 0.000 1.033 38 V CB 0.238 32.056 31.823 -0.007 0.000 0.993 38 V HN 0.280 nan 8.190 nan 0.000 0.477 39 P HA 0.061 nan 4.420 nan 0.000 0.266 39 P C -0.416 176.853 177.300 -0.051 0.000 1.195 39 P CA -0.063 63.002 63.100 -0.058 0.000 0.768 39 P CB 0.341 31.989 31.700 -0.086 0.000 0.838 40 N N 2.758 121.444 118.700 -0.024 0.000 2.462 40 N HA 0.343 5.083 4.740 -0.001 0.000 0.242 40 N C -1.058 174.443 175.510 -0.015 0.000 1.010 40 N CA -0.487 52.553 53.050 -0.018 0.000 0.939 40 N CB 0.124 38.610 38.487 -0.003 0.000 1.127 40 N HN 0.111 nan 8.380 nan 0.000 0.509 41 V N 0.437 120.334 119.914 -0.027 0.000 2.960 41 V HA 0.545 4.665 4.120 -0.001 0.000 0.315 41 V C 0.545 176.624 176.094 -0.025 0.000 1.087 41 V CA -0.719 61.568 62.300 -0.022 0.000 0.982 41 V CB 2.063 33.862 31.823 -0.040 0.000 1.039 41 V HN 0.398 nan 8.190 nan 0.000 0.437 42 D N 0.966 121.358 120.400 -0.013 0.000 2.149 42 D HA 0.033 4.673 4.640 -0.001 0.000 0.201 42 D C 0.465 176.735 176.300 -0.049 0.000 0.972 42 D CA 1.590 55.580 54.000 -0.016 0.000 0.835 42 D CB 0.529 41.335 40.800 0.011 0.000 0.966 42 D HN 0.431 nan 8.370 nan 0.000 0.476 43 V N 1.465 121.328 119.914 -0.085 0.000 2.525 43 V HA 0.218 4.337 4.120 -0.001 0.000 0.299 43 V C -0.400 175.598 176.094 -0.160 0.000 1.034 43 V CA -0.759 61.460 62.300 -0.134 0.000 0.863 43 V CB 2.438 34.138 31.823 -0.205 0.000 0.999 43 V HN -0.094 nan 8.190 nan 0.000 0.423 44 Q N 4.623 124.341 119.800 -0.137 0.000 2.339 44 Q HA 0.427 4.767 4.340 -0.001 0.000 0.268 44 Q C 0.477 176.383 176.000 -0.157 0.000 1.027 44 Q CA -0.712 55.003 55.803 -0.146 0.000 0.759 44 Q CB 1.861 30.535 28.738 -0.107 0.000 1.244 44 Q HN 0.684 nan 8.270 nan 0.000 0.464 45 M N 2.962 122.422 119.600 -0.234 0.000 2.202 45 M HA -0.190 4.290 4.480 -0.001 0.000 0.262 45 M C 1.585 177.788 176.300 -0.162 0.000 1.063 45 M CA 1.098 56.250 55.300 -0.247 0.000 1.097 45 M CB -0.887 31.430 32.600 -0.471 0.000 1.382 45 M HN 0.564 nan 8.290 nan 0.000 0.413 46 L N 0.520 121.642 121.223 -0.168 0.000 2.056 46 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 46 L C 2.464 179.329 176.870 -0.009 0.000 1.078 46 L CA 1.791 56.561 54.840 -0.116 0.000 0.749 46 L CB -0.682 41.285 42.059 -0.153 0.000 0.901 46 L HN 0.265 nan 8.230 nan 0.000 0.433 47 E N -0.366 119.815 120.200 -0.032 0.000 2.072 47 E HA -0.229 4.120 4.350 -0.001 0.000 0.191 47 E C 2.189 178.803 176.600 0.023 0.000 0.985 47 E CA 1.422 57.817 56.400 -0.009 0.000 0.801 47 E CB -0.271 29.409 29.700 -0.033 0.000 0.750 47 E HN 0.438 nan 8.360 nan 0.000 0.452 48 L N 0.426 121.663 121.223 0.024 0.000 2.046 48 L HA -0.180 4.159 4.340 -0.001 0.000 0.208 48 L C 2.268 179.207 176.870 0.115 0.000 1.077 48 L CA 1.656 56.517 54.840 0.036 0.000 0.747 48 L CB -0.980 41.089 42.059 0.017 0.000 0.896 48 L HN 0.117 nan 8.230 nan 0.000 0.432 49 Y N -0.034 120.271 120.300 0.008 0.000 2.207 49 Y HA -0.256 4.293 4.550 -0.001 0.000 0.287 49 Y C 2.545 178.542 175.900 0.160 0.000 1.156 49 Y CA 1.753 59.945 58.100 0.154 0.000 1.182 49 Y CB -0.592 37.960 38.460 0.154 0.000 0.979 49 Y HN 0.356 nan 8.280 nan 0.000 0.521 50 D N -0.570 119.945 120.400 0.191 0.000 2.144 50 D HA -0.118 4.522 4.640 -0.001 0.000 0.200 50 D C 2.041 178.383 176.300 0.070 0.000 0.978 50 D CA 1.224 55.289 54.000 0.108 0.000 0.833 50 D CB 0.069 40.906 40.800 0.061 0.000 0.961 50 D HN 0.264 nan 8.370 nan 0.000 0.470 51 R N -0.982 119.541 120.500 0.039 0.000 2.140 51 R HA 0.185 4.524 4.340 -0.001 0.000 0.213 51 R C 0.900 177.179 176.300 -0.035 0.000 1.059 51 R CA -0.015 56.084 56.100 -0.002 0.000 1.000 51 R CB 0.031 30.316 30.300 -0.024 0.000 0.910 51 R HN 0.209 nan 8.270 nan 0.000 0.455 52 M N 0.591 120.135 119.600 -0.093 0.000 2.252 52 M HA -0.055 4.424 4.480 -0.001 0.000 0.329 52 M C 0.892 177.137 176.300 -0.092 0.000 1.101 52 M CA 0.591 55.736 55.300 -0.259 0.000 1.117 52 M CB 1.029 33.188 32.600 -0.735 0.000 1.563 52 M HN -0.025 nan 8.290 nan 0.000 0.445 53 S N 1.131 116.763 115.700 -0.112 0.000 2.517 53 S HA 0.167 4.636 4.470 -0.001 0.000 0.214 53 S C 0.201 174.912 174.600 0.185 0.000 0.991 53 S CA -0.223 58.009 58.200 0.054 0.000 0.906 53 S CB -0.047 63.157 63.200 0.006 0.000 0.789 53 S HN 0.720 nan 8.310 nan 0.000 0.513 54 F N 1.406 121.284 119.950 -0.120 0.000 3.100 54 F HA -0.201 4.326 4.527 -0.001 0.000 0.283 54 F C 0.272 176.087 175.800 0.025 0.000 0.900 54 F CA 0.228 58.165 58.000 -0.106 0.000 1.010 54 F CB -1.563 37.345 39.000 -0.153 0.000 1.029 54 F HN -0.005 nan 8.300 nan 0.000 0.637 55 K N 1.129 121.613 120.400 0.139 0.000 2.368 55 K HA 0.133 4.452 4.320 -0.001 0.000 0.282 55 K C 0.266 176.979 176.600 0.189 0.000 1.035 55 K CA -0.106 56.265 56.287 0.139 0.000 0.973 55 K CB 0.590 33.131 32.500 0.069 0.000 0.957 55 K HN 0.093 nan 8.250 nan 0.000 0.474 56 D N 3.862 124.386 120.400 0.205 0.000 2.557 56 D HA 0.158 4.798 4.640 -0.001 0.000 0.236 56 D C -0.153 176.188 176.300 0.068 0.000 1.154 56 D CA -0.480 53.639 54.000 0.198 0.000 0.985 56 D CB -0.499 40.424 40.800 0.204 0.000 1.010 56 D HN 0.470 nan 8.370 nan 0.000 0.516 57 I N -1.406 119.191 120.570 0.046 0.000 2.577 57 I HA 0.502 4.672 4.170 -0.001 0.000 0.305 57 I C 0.067 176.171 176.117 -0.022 0.000 0.986 57 I CA -1.014 60.291 61.300 0.009 0.000 1.189 57 I CB 1.503 39.510 38.000 0.011 0.000 1.355 57 I HN -0.120 nan 8.210 nan 0.000 0.476 58 D N 4.008 124.394 120.400 -0.022 0.000 2.342 58 D HA 0.171 4.811 4.640 -0.001 0.000 0.260 58 D C 0.969 177.256 176.300 -0.023 0.000 1.278 58 D CA 0.075 54.056 54.000 -0.031 0.000 0.910 58 D CB 1.389 42.178 40.800 -0.017 0.000 1.079 58 D HN 0.822 nan 8.370 nan 0.000 0.496 59 G N 2.419 111.189 108.800 -0.051 0.000 3.088 59 G HA2 0.439 4.398 3.960 -0.001 0.000 0.212 59 G HA3 0.439 4.398 3.960 -0.001 0.000 0.212 59 G C 0.883 175.788 174.900 0.008 0.000 1.173 59 G CA 0.341 45.418 45.100 -0.039 0.000 0.779 59 G HN 0.907 nan 8.290 nan 0.000 0.540 60 G N -0.600 108.208 108.800 0.014 0.000 2.464 60 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.216 60 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.216 60 G C 1.181 176.105 174.900 0.041 0.000 1.186 60 G CA 0.634 45.755 45.100 0.034 0.000 1.010 60 G HN 1.077 nan 8.290 nan 0.000 0.585 61 V N -3.630 116.306 119.914 0.038 0.000 2.392 61 V HA 0.055 4.174 4.120 -0.001 0.000 0.249 61 V C 1.469 177.593 176.094 0.050 0.000 1.059 61 V CA 2.475 64.778 62.300 0.005 0.000 1.051 61 V CB -0.557 31.234 31.823 -0.054 0.000 0.658 61 V HN 1.430 nan 8.190 nan 0.000 0.455 62 W N 2.626 123.839 121.300 -0.146 0.000 2.226 62 W HA 0.461 5.120 4.660 -0.001 0.000 0.379 62 W C 1.120 177.600 176.519 -0.065 0.000 0.923 62 W CA -1.951 55.298 57.345 -0.160 0.000 1.524 62 W CB 0.121 29.456 29.460 -0.208 0.000 1.552 62 W HN 0.030 nan 8.180 nan 0.000 0.337 63 K N 2.394 122.877 120.400 0.138 0.000 2.127 63 K HA -0.235 4.084 4.320 -0.001 0.000 0.208 63 K C 0.901 177.420 176.600 -0.135 0.000 1.047 63 K CA 1.725 58.005 56.287 -0.013 0.000 0.927 63 K CB -0.055 32.431 32.500 -0.024 0.000 0.716 63 K HN 0.578 nan 8.250 nan 0.000 0.450 64 Q N -0.808 118.871 119.800 -0.202 0.000 2.188 64 Q HA 0.194 4.534 4.340 -0.001 0.000 0.212 64 Q C 0.822 176.457 176.000 -0.608 0.000 0.846 64 Q CA -0.228 55.426 55.803 -0.248 0.000 0.989 64 Q CB 1.224 29.944 28.738 -0.029 0.000 1.114 64 Q HN 0.265 nan 8.270 nan 0.000 0.488 65 G N 0.596 108.646 108.800 -1.250 0.000 3.392 65 G HA2 0.534 4.494 3.960 -0.001 0.000 0.185 65 G HA3 0.534 4.494 3.960 -0.001 0.000 0.185 65 G C -1.503 173.097 174.900 -0.500 0.000 1.206 65 G CA -0.306 43.776 45.100 -1.697 0.000 0.776 65 G HN 0.359 nan 8.290 nan 0.000 0.697 66 W N -1.246 119.781 121.300 -0.455 0.000 2.959 66 W HA 0.620 5.280 4.660 -0.001 0.000 0.358 66 W C -1.456 175.156 176.519 0.154 0.000 1.228 66 W CA -1.163 56.134 57.345 -0.081 0.000 1.183 66 W CB 0.622 30.046 29.460 -0.060 0.000 1.467 66 W HN 0.198 nan 8.180 nan 0.000 0.578 67 N N 2.304 121.165 118.700 0.269 0.000 2.402 67 N HA 0.195 4.935 4.740 -0.001 0.000 0.259 67 N C -0.200 175.450 175.510 0.233 0.000 1.167 67 N CA 0.075 53.232 53.050 0.178 0.000 0.949 67 N CB 0.351 38.939 38.487 0.168 0.000 1.212 67 N HN 0.404 nan 8.380 nan 0.000 0.493 68 I N 2.085 122.689 120.570 0.057 0.000 2.618 68 I HA -0.022 4.148 4.170 -0.001 0.000 0.284 68 I C 0.832 177.105 176.117 0.260 0.000 1.146 68 I CA 0.470 61.879 61.300 0.181 0.000 1.425 68 I CB 0.387 38.443 38.000 0.093 0.000 1.383 68 I HN 0.121 nan 8.210 nan 0.000 0.562 69 K N 6.307 126.896 120.400 0.315 0.000 2.318 69 K HA 0.602 4.921 4.320 -0.001 0.000 0.249 69 K C -1.355 175.402 176.600 0.261 0.000 0.942 69 K CA -0.742 55.657 56.287 0.187 0.000 0.808 69 K CB 2.407 34.986 32.500 0.131 0.000 1.189 69 K HN 0.492 nan 8.250 nan 0.000 0.428 70 Y N -1.896 118.495 120.300 0.152 0.000 2.588 70 Y HA 0.386 4.935 4.550 -0.001 0.000 0.343 70 Y C -1.143 174.834 175.900 0.129 0.000 1.065 70 Y CA -1.482 56.711 58.100 0.155 0.000 1.038 70 Y CB 1.224 39.796 38.460 0.186 0.000 1.297 70 Y HN 0.392 nan 8.280 nan 0.000 0.467 71 D N 4.514 125.095 120.400 0.302 0.000 2.339 71 D HA 0.221 4.861 4.640 -0.001 0.000 0.241 71 D C -1.605 174.893 176.300 0.330 0.000 1.183 71 D CA -2.322 51.794 54.000 0.193 0.000 0.859 71 D CB 1.659 42.533 40.800 0.124 0.000 1.067 71 D HN 0.499 nan 8.370 nan 0.000 0.484 72 P HA -0.125 nan 4.420 nan 0.000 0.221 72 P C 1.423 178.883 177.300 0.267 0.000 1.145 72 P CA 0.657 63.978 63.100 0.369 0.000 0.795 72 P CB 0.392 32.238 31.700 0.244 0.000 0.775 73 L N -0.657 120.669 121.223 0.172 0.000 2.599 73 L HA 0.082 4.421 4.340 -0.001 0.000 0.230 73 L C 2.684 179.601 176.870 0.078 0.000 1.141 73 L CA 0.382 55.292 54.840 0.117 0.000 0.877 73 L CB -0.656 41.447 42.059 0.073 0.000 1.009 73 L HN -0.025 nan 8.230 nan 0.000 0.447 74 K N 0.517 120.959 120.400 0.070 0.000 2.097 74 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 74 K C -0.081 176.372 176.600 -0.245 0.000 1.049 74 K CA 1.132 57.342 56.287 -0.129 0.000 0.933 74 K CB 0.107 32.495 32.500 -0.187 0.000 0.717 74 K HN 0.105 nan 8.250 nan 0.000 0.442 75 Y N 0.995 121.410 120.300 0.191 0.000 2.387 75 Y HA 0.253 4.802 4.550 -0.000 0.000 0.336 75 Y C 0.311 176.298 175.900 0.144 0.000 1.067 75 Y CA -0.984 57.246 58.100 0.218 0.000 1.114 75 Y CB 1.333 39.882 38.460 0.148 0.000 1.208 75 Y HN 0.212 nan 8.280 nan 0.000 0.458 76 N N 0.345 119.203 118.700 0.263 0.000 3.344 76 N HA 0.335 5.075 4.740 -0.001 0.000 0.296 76 N C 0.193 175.729 175.510 0.044 0.000 1.571 76 N CA -0.234 52.890 53.050 0.123 0.000 0.844 76 N CB 0.934 39.469 38.487 0.079 0.000 1.718 76 N HN 0.593 nan 8.380 nan 0.000 0.589 77 A N -0.269 122.485 122.820 -0.110 0.000 1.986 77 A HA -0.195 4.124 4.320 -0.001 0.000 0.220 77 A C 1.253 178.723 177.584 -0.189 0.000 1.171 77 A CA 1.459 53.371 52.037 -0.210 0.000 0.640 77 A CB -1.114 17.670 19.000 -0.360 0.000 0.811 77 A HN 0.695 nan 8.150 nan 0.000 0.451 78 H N -2.538 116.585 119.070 0.089 0.000 2.553 78 H HA 0.107 4.662 4.556 -0.001 0.000 0.265 78 H C 0.072 175.495 175.328 0.158 0.000 0.964 78 H CA 0.809 56.914 56.048 0.093 0.000 1.156 78 H CB 0.133 29.941 29.762 0.077 0.000 1.411 78 H HN 0.666 nan 8.280 nan 0.000 0.558 79 H N 0.821 119.973 119.070 0.137 0.000 2.852 79 H HA 0.247 4.803 4.556 -0.000 0.000 0.274 79 H C -0.747 174.719 175.328 0.229 0.000 1.321 79 H CA -0.277 55.857 56.048 0.145 0.000 1.582 79 H CB 0.638 30.458 29.762 0.096 0.000 1.699 79 H HN 0.105 nan 8.280 nan 0.000 0.546 80 K N 2.512 122.899 120.400 -0.021 0.000 2.087 80 K HA 0.248 4.567 4.320 -0.001 0.000 0.255 80 K C -0.382 176.124 176.600 -0.157 0.000 0.988 80 K CA -1.163 55.113 56.287 -0.019 0.000 0.915 80 K CB 2.034 34.489 32.500 -0.076 0.000 1.043 80 K HN 0.163 nan 8.250 nan 0.000 0.457 81 L N 2.229 123.240 121.223 -0.353 0.000 2.260 81 L HA 0.188 4.527 4.340 -0.001 0.000 0.289 81 L C -0.895 175.736 176.870 -0.399 0.000 1.057 81 L CA 0.153 54.651 54.840 -0.570 0.000 0.811 81 L CB 0.313 41.803 42.059 -0.948 0.000 1.184 81 L HN 0.377 nan 8.230 nan 0.000 0.429 82 K N 4.709 124.898 120.400 -0.353 0.000 2.262 82 K HA 0.504 4.823 4.320 -0.001 0.000 0.282 82 K C -1.121 175.151 176.600 -0.547 0.000 1.066 82 K CA -0.556 55.466 56.287 -0.442 0.000 0.901 82 K CB 1.454 33.742 32.500 -0.353 0.000 1.089 82 K HN 0.410 nan 8.250 nan 0.000 0.476 83 V N 4.802 124.275 119.914 -0.734 0.000 2.417 83 V HA 0.369 4.488 4.120 -0.001 0.000 0.291 83 V C -0.757 174.799 176.094 -0.897 0.000 1.024 83 V CA -0.785 61.027 62.300 -0.813 0.000 0.861 83 V CB 0.610 31.767 31.823 -1.111 0.000 0.985 83 V HN 0.565 nan 8.190 nan 0.000 0.436 84 F N 3.508 123.196 119.950 -0.436 0.000 2.375 84 F HA 0.494 5.020 4.527 -0.001 0.000 0.361 84 F C 0.154 175.761 175.800 -0.320 0.000 1.117 84 F CA -0.754 57.046 58.000 -0.333 0.000 1.037 84 F CB 1.818 40.693 39.000 -0.209 0.000 1.192 84 F HN 0.196 nan 8.300 nan 0.000 0.452 85 V N 5.256 125.122 119.914 -0.080 0.000 2.368 85 V HA 0.238 4.357 4.120 -0.001 0.000 0.266 85 V C -0.188 175.991 176.094 0.141 0.000 1.045 85 V CA -0.621 61.694 62.300 0.025 0.000 0.899 85 V CB 1.148 33.064 31.823 0.154 0.000 1.006 85 V HN 0.426 nan 8.190 nan 0.000 0.470 86 V N 8.353 128.301 119.914 0.056 0.000 2.294 86 V HA 0.303 4.423 4.120 -0.001 0.000 0.272 86 V C -2.341 173.781 176.094 0.047 0.000 1.027 86 V CA -2.000 60.304 62.300 0.006 0.000 0.823 86 V CB 1.264 32.997 31.823 -0.150 0.000 1.030 86 V HN 0.708 nan 8.190 nan 0.000 0.457 87 P HA 0.308 nan 4.420 nan 0.000 0.271 87 P C -0.805 176.468 177.300 -0.045 0.000 1.216 87 P CA 0.302 63.357 63.100 -0.074 0.000 0.771 87 P CB 0.321 31.796 31.700 -0.376 0.000 0.864 88 H N -0.934 118.120 119.070 -0.026 0.000 2.990 88 H HA 0.794 5.349 4.556 -0.001 0.000 0.336 88 H C -1.456 173.978 175.328 0.176 0.000 1.306 88 H CA -1.141 54.799 56.048 -0.181 0.000 1.118 88 H CB 1.011 30.605 29.762 -0.281 0.000 1.856 88 H HN 0.181 nan 8.280 nan 0.000 0.538 89 S N 0.608 116.329 115.700 0.035 0.000 2.736 89 S HA 0.201 4.671 4.470 -0.001 0.000 0.285 89 S C -1.793 172.739 174.600 -0.115 0.000 1.163 89 S CA -0.671 57.591 58.200 0.103 0.000 1.025 89 S CB 0.166 63.608 63.200 0.404 0.000 1.030 89 S HN 0.823 nan 8.310 nan 0.000 0.486 90 H N 4.242 123.207 119.070 -0.174 0.000 2.934 90 H HA 0.461 5.017 4.556 -0.001 0.000 0.273 90 H C -0.616 174.295 175.328 -0.695 0.000 1.121 90 H CA 0.194 56.040 56.048 -0.338 0.000 1.451 90 H CB 0.042 29.630 29.762 -0.290 0.000 1.469 90 H HN 0.504 nan 8.280 nan 0.000 0.476 91 N N 4.661 122.717 118.700 -1.073 0.000 2.511 91 N HA 0.130 4.869 4.740 -0.001 0.000 0.249 91 N C -1.267 173.789 175.510 -0.755 0.000 0.971 91 N CA -0.637 51.639 53.050 -1.290 0.000 0.938 91 N CB 0.972 38.986 38.487 -0.789 0.000 1.131 91 N HN 0.542 nan 8.380 nan 0.000 0.505 92 D N 2.494 122.486 120.400 -0.680 0.000 2.317 92 D HA 0.115 4.755 4.640 -0.001 0.000 0.252 92 D C -2.077 174.287 176.300 0.107 0.000 1.174 92 D CA -1.069 52.803 54.000 -0.213 0.000 0.866 92 D CB 1.367 42.264 40.800 0.162 0.000 1.127 92 D HN 0.242 nan 8.370 nan 0.000 0.467 93 P HA 0.179 nan 4.420 nan 0.000 0.231 93 P C -0.047 177.450 177.300 0.328 0.000 1.756 93 P CA 0.059 63.160 63.100 0.003 0.000 0.990 93 P CB 0.168 31.720 31.700 -0.246 0.000 1.973 94 G N 0.131 109.314 108.800 0.639 0.000 3.069 94 G HA2 0.021 3.981 3.960 -0.001 0.000 0.686 94 G HA3 0.021 3.981 3.960 -0.001 0.000 0.686 94 G C -1.111 174.337 174.900 0.912 0.000 1.161 94 G CA -0.670 44.844 45.100 0.691 0.000 0.804 94 G HN 0.347 nan 8.290 nan 0.000 0.608 95 W N 2.002 123.655 121.300 0.587 0.000 4.489 95 W HA 0.229 4.888 4.660 -0.001 0.000 0.161 95 W C 1.717 178.425 176.519 0.315 0.000 3.472 95 W CA 1.200 58.850 57.345 0.509 0.000 1.144 95 W CB -0.834 29.005 29.460 0.631 0.000 2.110 95 W HN 0.933 nan 8.180 nan 0.000 0.358 96 I N 0.711 121.264 120.570 -0.028 0.000 3.603 96 I HA 0.332 4.501 4.170 -0.001 0.000 0.297 96 I C 0.220 176.231 176.117 -0.177 0.000 1.269 96 I CA 0.530 61.630 61.300 -0.333 0.000 1.361 96 I CB 0.041 37.750 38.000 -0.485 0.000 1.063 96 I HN -0.016 nan 8.210 nan 0.000 0.448 97 Q N 1.441 121.020 119.800 -0.369 0.000 2.484 97 Q HA 0.383 4.722 4.340 -0.001 0.000 0.285 97 Q C -0.363 175.388 176.000 -0.414 0.000 1.097 97 Q CA -0.771 54.717 55.803 -0.525 0.000 0.802 97 Q CB 2.469 30.534 28.738 -1.121 0.000 1.444 97 Q HN 0.349 nan 8.270 nan 0.000 0.429 98 T N -2.144 112.269 114.554 -0.234 0.000 2.754 98 T HA 0.158 4.507 4.350 -0.001 0.000 0.286 98 T C 0.813 175.591 174.700 0.130 0.000 0.997 98 T CA -0.446 61.595 62.100 -0.100 0.000 0.982 98 T CB 0.311 69.146 68.868 -0.055 0.000 1.027 98 T HN 0.564 nan 8.240 nan 0.000 0.529 99 F N 1.168 121.175 119.950 0.096 0.000 2.065 99 F HA -0.101 4.425 4.527 -0.001 0.000 0.298 99 F C 2.489 178.468 175.800 0.298 0.000 1.112 99 F CA 2.310 60.441 58.000 0.219 0.000 1.212 99 F CB -0.427 38.597 39.000 0.040 0.000 0.975 99 F HN 0.762 nan 8.300 nan 0.000 0.476 100 E N 0.511 120.901 120.200 0.317 0.000 2.110 100 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 100 E C 2.031 178.666 176.600 0.059 0.000 0.988 100 E CA 1.831 58.358 56.400 0.212 0.000 0.804 100 E CB -0.328 29.505 29.700 0.221 0.000 0.745 100 E HN 0.629 nan 8.360 nan 0.000 0.458 101 E N -1.046 119.120 120.200 -0.057 0.000 2.051 101 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 101 E C 1.907 178.265 176.600 -0.404 0.000 0.991 101 E CA 1.186 57.371 56.400 -0.358 0.000 0.799 101 E CB -0.274 29.250 29.700 -0.294 0.000 0.748 101 E HN 0.355 nan 8.360 nan 0.000 0.449 102 Y N -0.461 119.765 120.300 -0.123 0.000 2.224 102 Y HA -0.248 4.302 4.550 -0.001 0.000 0.289 102 Y C 2.207 178.043 175.900 -0.106 0.000 1.146 102 Y CA 1.173 59.203 58.100 -0.116 0.000 1.182 102 Y CB -0.719 37.778 38.460 0.062 0.000 0.983 102 Y HN 0.184 nan 8.280 nan 0.000 0.524 103 Y N 0.876 121.189 120.300 0.021 0.000 2.128 103 Y HA -0.282 4.268 4.550 -0.001 0.000 0.284 103 Y C 2.283 178.155 175.900 -0.047 0.000 1.154 103 Y CA 1.873 59.941 58.100 -0.053 0.000 1.149 103 Y CB -0.357 38.056 38.460 -0.079 0.000 0.976 103 Y HN 0.053 nan 8.280 nan 0.000 0.505 104 Q N -0.620 119.093 119.800 -0.146 0.000 2.079 104 Q HA -0.163 4.177 4.340 -0.001 0.000 0.200 104 Q C 2.144 178.165 176.000 0.035 0.000 0.974 104 Q CA 2.150 57.864 55.803 -0.149 0.000 0.840 104 Q CB -0.590 28.126 28.738 -0.036 0.000 0.898 104 Q HN 0.777 nan 8.270 nan 0.000 0.430 105 H N -0.733 118.352 119.070 0.025 0.000 2.448 105 H HA 0.042 4.597 4.556 -0.001 0.000 0.292 105 H C 0.896 176.315 175.328 0.152 0.000 1.035 105 H CA 0.629 56.728 56.048 0.085 0.000 1.349 105 H CB 0.663 30.442 29.762 0.028 0.000 1.425 105 H HN 0.208 nan 8.280 nan 0.000 0.539 106 D N -0.873 119.641 120.400 0.190 0.000 3.165 106 D HA 0.003 4.643 4.640 -0.001 0.000 0.264 106 D C 1.864 178.236 176.300 0.120 0.000 1.363 106 D CA 0.516 54.620 54.000 0.173 0.000 1.166 106 D CB -0.144 40.670 40.800 0.024 0.000 1.291 106 D HN 0.057 nan 8.370 nan 0.000 0.390 107 T N 2.685 117.241 114.554 0.004 0.000 2.699 107 T HA -0.193 4.156 4.350 -0.001 0.000 0.268 107 T C 1.930 176.477 174.700 -0.255 0.000 1.036 107 T CA 1.805 63.855 62.100 -0.083 0.000 1.147 107 T CB -0.197 68.466 68.868 -0.342 0.000 0.862 107 T HN 0.276 nan 8.240 nan 0.000 0.446 108 K N 0.639 120.706 120.400 -0.554 0.000 2.148 108 K HA -0.150 4.169 4.320 -0.001 0.000 0.204 108 K C 1.961 178.317 176.600 -0.406 0.000 1.050 108 K CA 1.433 57.364 56.287 -0.593 0.000 0.942 108 K CB -0.358 31.562 32.500 -0.966 0.000 0.724 108 K HN 0.417 nan 8.250 nan 0.000 0.446 109 H N 0.966 119.967 119.070 -0.116 0.000 2.403 109 H HA 0.076 4.631 4.556 -0.001 0.000 0.298 109 H C 2.276 177.615 175.328 0.018 0.000 1.059 109 H CA 1.308 57.347 56.048 -0.013 0.000 1.363 109 H CB -0.105 29.677 29.762 0.033 0.000 1.410 109 H HN 0.182 nan 8.280 nan 0.000 0.528 110 I N 0.765 121.423 120.570 0.146 0.000 2.179 110 I HA -0.268 3.901 4.170 -0.001 0.000 0.242 110 I C 2.385 178.530 176.117 0.047 0.000 1.088 110 I CA 1.116 62.552 61.300 0.227 0.000 1.357 110 I CB -0.226 37.971 38.000 0.329 0.000 1.051 110 I HN 0.101 nan 8.210 nan 0.000 0.409 111 L N -0.512 120.509 121.223 -0.337 0.000 2.156 111 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 111 L C 2.699 179.216 176.870 -0.589 0.000 1.095 111 L CA 1.063 55.462 54.840 -0.736 0.000 0.770 111 L CB -0.475 40.590 42.059 -1.655 0.000 0.914 111 L HN 0.229 nan 8.230 nan 0.000 0.439 112 S N 0.176 115.655 115.700 -0.368 0.000 2.368 112 S HA -0.127 4.342 4.470 -0.001 0.000 0.224 112 S C 1.787 176.364 174.600 -0.038 0.000 1.029 112 S CA 1.342 59.568 58.200 0.044 0.000 0.988 112 S CB -0.125 63.173 63.200 0.164 0.000 0.838 112 S HN 0.437 nan 8.310 nan 0.000 0.462 113 N N 1.552 120.229 118.700 -0.040 0.000 2.354 113 N HA 0.141 4.880 4.740 -0.001 0.000 0.179 113 N C 1.745 176.956 175.510 -0.499 0.000 1.021 113 N CA 1.028 54.010 53.050 -0.114 0.000 0.887 113 N CB -0.655 37.899 38.487 0.112 0.000 0.974 113 N HN 0.500 nan 8.380 nan 0.000 0.437 114 A N 1.057 123.619 122.820 -0.429 0.000 1.898 114 A HA -0.067 4.252 4.320 -0.001 0.000 0.216 114 A C 2.181 179.480 177.584 -0.475 0.000 1.181 114 A CA 0.826 52.433 52.037 -0.718 0.000 0.620 114 A CB -0.642 18.227 19.000 -0.219 0.000 0.819 114 A HN 0.213 nan 8.150 nan 0.000 0.442 115 L N 0.049 121.139 121.223 -0.222 0.000 2.012 115 L HA -0.157 4.183 4.340 -0.001 0.000 0.210 115 L C 2.432 179.214 176.870 -0.146 0.000 1.073 115 L CA 2.072 56.858 54.840 -0.090 0.000 0.748 115 L CB -0.642 41.434 42.059 0.029 0.000 0.891 115 L HN 0.368 nan 8.230 nan 0.000 0.431 116 R N -1.589 118.769 120.500 -0.236 0.000 2.062 116 R HA -0.123 4.217 4.340 -0.001 0.000 0.231 116 R C 2.359 178.445 176.300 -0.356 0.000 1.136 116 R CA 1.470 57.397 56.100 -0.289 0.000 0.948 116 R CB -0.703 29.390 30.300 -0.345 0.000 0.845 116 R HN 0.525 nan 8.270 nan 0.000 0.430 117 H N 0.619 119.407 119.070 -0.471 0.000 2.387 117 H HA -0.051 4.504 4.556 -0.001 0.000 0.299 117 H C 2.241 177.365 175.328 -0.341 0.000 1.090 117 H CA 1.308 57.066 56.048 -0.483 0.000 1.332 117 H CB 0.007 29.217 29.762 -0.919 0.000 1.386 117 H HN 0.165 nan 8.280 nan 0.000 0.516 118 L N -0.141 120.917 121.223 -0.275 0.000 2.109 118 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 118 L C 2.757 179.599 176.870 -0.048 0.000 1.086 118 L CA 0.985 55.745 54.840 -0.134 0.000 0.760 118 L CB -0.592 41.399 42.059 -0.113 0.000 0.910 118 L HN 0.372 nan 8.230 nan 0.000 0.437 119 H N 0.710 119.706 119.070 -0.123 0.000 2.319 119 H HA -0.196 4.360 4.556 -0.001 0.000 0.299 119 H C 1.303 176.589 175.328 -0.070 0.000 1.092 119 H CA 2.034 58.035 56.048 -0.079 0.000 1.302 119 H CB 0.188 29.900 29.762 -0.084 0.000 1.373 119 H HN 0.326 nan 8.280 nan 0.000 0.497 120 D N 0.225 120.636 120.400 0.018 0.000 2.317 120 D HA -0.037 4.602 4.640 -0.001 0.000 0.211 120 D C -0.037 176.245 176.300 -0.029 0.000 0.966 120 D CA 0.527 54.518 54.000 -0.016 0.000 0.876 120 D CB -0.172 40.623 40.800 -0.008 0.000 0.927 120 D HN 0.406 nan 8.370 nan 0.000 0.519 121 N N 1.069 119.756 118.700 -0.021 0.000 2.746 121 N HA 0.127 4.867 4.740 -0.001 0.000 0.250 121 N C -1.966 173.549 175.510 0.010 0.000 1.146 121 N CA -1.114 51.947 53.050 0.018 0.000 0.828 121 N CB 2.254 40.778 38.487 0.061 0.000 1.158 121 N HN -0.141 nan 8.380 nan 0.000 0.519 122 P HA -0.213 nan 4.420 nan 0.000 0.218 122 P C 0.366 177.694 177.300 0.046 0.000 1.146 122 P CA 1.464 64.565 63.100 0.002 0.000 0.820 122 P CB 0.548 32.243 31.700 -0.007 0.000 0.778 123 E N -1.768 118.489 120.200 0.095 0.000 2.447 123 E HA 0.089 4.438 4.350 -0.001 0.000 0.195 123 E C 0.967 177.694 176.600 0.213 0.000 1.028 123 E CA -0.076 56.424 56.400 0.166 0.000 0.876 123 E CB -0.515 29.320 29.700 0.224 0.000 0.885 123 E HN 0.181 nan 8.360 nan 0.000 0.500 124 M N 1.201 120.854 119.600 0.088 0.000 2.243 124 M HA 0.154 4.634 4.480 -0.001 0.000 0.341 124 M C -0.654 175.615 176.300 -0.052 0.000 1.130 124 M CA 0.156 55.387 55.300 -0.115 0.000 1.162 124 M CB 0.478 32.994 32.600 -0.139 0.000 1.497 124 M HN -0.337 nan 8.290 nan 0.000 0.456 125 K N 3.109 123.445 120.400 -0.105 0.000 2.395 125 K HA 0.667 4.987 4.320 -0.001 0.000 0.245 125 K C -1.724 174.911 176.600 0.058 0.000 1.017 125 K CA -0.465 55.826 56.287 0.006 0.000 0.852 125 K CB 2.049 34.581 32.500 0.053 0.000 1.311 125 K HN 0.685 nan 8.250 nan 0.000 0.452 126 F N 1.395 121.253 119.950 -0.152 0.000 2.669 126 F HA 0.404 4.930 4.527 -0.001 0.000 0.315 126 F C -1.462 174.227 175.800 -0.186 0.000 1.109 126 F CA -1.206 56.687 58.000 -0.178 0.000 1.028 126 F CB 0.937 39.912 39.000 -0.043 0.000 1.287 126 F HN 0.442 nan 8.300 nan 0.000 0.452 127 I N 2.107 122.294 120.570 -0.637 0.000 2.562 127 I HA 0.603 4.773 4.170 -0.001 0.000 0.301 127 I C -1.675 173.999 176.117 -0.739 0.000 1.003 127 I CA -0.597 60.319 61.300 -0.641 0.000 1.127 127 I CB 2.439 40.011 38.000 -0.714 0.000 1.304 127 I HN 0.698 nan 8.210 nan 0.000 0.446 128 W N 4.672 125.574 121.300 -0.663 0.000 2.839 128 W HA 0.635 5.295 4.660 -0.001 0.000 0.334 128 W C -0.737 175.701 176.519 -0.135 0.000 1.064 128 W CA -0.532 56.558 57.345 -0.425 0.000 1.236 128 W CB 2.673 31.933 29.460 -0.332 0.000 1.405 128 W HN 0.788 nan 8.180 nan 0.000 0.478 129 A N 3.401 125.868 122.820 -0.589 0.000 1.984 129 A HA 0.147 4.467 4.320 -0.001 0.000 0.203 129 A C 0.034 177.576 177.584 -0.071 0.000 1.292 129 A CA 0.417 52.343 52.037 -0.186 0.000 0.782 129 A CB -0.073 18.878 19.000 -0.081 0.000 0.924 129 A HN 0.506 nan 8.150 nan 0.000 0.475 130 E N 1.282 121.327 120.200 -0.257 0.000 2.003 130 E HA 0.249 4.599 4.350 -0.001 0.000 0.279 130 E C 0.529 177.304 176.600 0.292 0.000 1.132 130 E CA -0.226 56.192 56.400 0.030 0.000 0.888 130 E CB 0.500 30.221 29.700 0.035 0.000 1.056 130 E HN 0.309 nan 8.360 nan 0.000 0.399 131 I N 1.548 122.183 120.570 0.108 0.000 2.676 131 I HA -0.210 3.960 4.170 -0.001 0.000 0.259 131 I C 1.948 177.737 176.117 -0.547 0.000 1.194 131 I CA 0.946 62.229 61.300 -0.028 0.000 1.473 131 I CB -1.406 36.610 38.000 0.027 0.000 1.096 131 I HN 0.413 nan 8.210 nan 0.000 0.443 132 S N 0.734 115.831 115.700 -1.004 0.000 2.359 132 S HA -0.255 4.215 4.470 -0.001 0.000 0.224 132 S C 2.201 176.509 174.600 -0.487 0.000 1.035 132 S CA 1.241 58.431 58.200 -1.683 0.000 1.018 132 S CB -1.129 61.140 63.200 -1.552 0.000 0.876 132 S HN 0.471 nan 8.310 nan 0.000 0.448 133 Y N 0.082 120.408 120.300 0.045 0.000 2.200 133 Y HA 0.031 4.580 4.550 -0.001 0.000 0.290 133 Y C 2.297 178.270 175.900 0.121 0.000 1.137 133 Y CA 1.082 59.313 58.100 0.219 0.000 1.163 133 Y CB -0.373 38.320 38.460 0.389 0.000 0.988 133 Y HN 0.295 nan 8.280 nan 0.000 0.518 134 F N 0.124 120.164 119.950 0.149 0.000 2.134 134 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 134 F C 2.318 177.962 175.800 -0.261 0.000 1.097 134 F CA 1.210 59.170 58.000 -0.067 0.000 1.264 134 F CB -0.430 38.520 39.000 -0.084 0.000 1.001 134 F HN -0.020 nan 8.300 nan 0.000 0.479 135 A N 0.084 122.572 122.820 -0.553 0.000 1.930 135 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 135 A C 2.146 179.628 177.584 -0.170 0.000 1.175 135 A CA 1.655 53.212 52.037 -0.800 0.000 0.627 135 A CB -0.715 17.688 19.000 -0.995 0.000 0.815 135 A HN 0.376 nan 8.150 nan 0.000 0.443 136 R N -0.984 119.450 120.500 -0.110 0.000 2.091 136 R HA -0.141 4.198 4.340 -0.001 0.000 0.238 136 R C 1.729 177.970 176.300 -0.099 0.000 1.136 136 R CA 2.053 58.092 56.100 -0.101 0.000 0.959 136 R CB -0.829 29.344 30.300 -0.212 0.000 0.856 136 R HN 0.490 nan 8.270 nan 0.000 0.437 137 F N -0.385 119.473 119.950 -0.153 0.000 2.098 137 F HA -0.095 4.431 4.527 -0.001 0.000 0.294 137 F C 1.911 177.632 175.800 -0.132 0.000 1.107 137 F CA 1.505 59.486 58.000 -0.031 0.000 1.234 137 F CB -0.910 38.019 39.000 -0.119 0.000 1.002 137 F HN 0.090 nan 8.300 nan 0.000 0.472 138 Y N 0.756 120.812 120.300 -0.407 0.000 2.114 138 Y HA -0.320 4.229 4.550 -0.001 0.000 0.282 138 Y C 2.763 178.452 175.900 -0.352 0.000 1.165 138 Y CA 2.461 60.305 58.100 -0.427 0.000 1.148 138 Y CB -0.857 37.481 38.460 -0.204 0.000 0.972 138 Y HN 0.170 nan 8.280 nan 0.000 0.504 139 H N -0.917 118.133 119.070 -0.035 0.000 2.545 139 H HA -0.074 4.482 4.556 -0.001 0.000 0.282 139 H C 0.971 176.196 175.328 -0.172 0.000 1.020 139 H CA 1.437 57.432 56.048 -0.089 0.000 1.243 139 H CB -0.084 29.683 29.762 0.009 0.000 1.377 139 H HN 0.465 nan 8.280 nan 0.000 0.581 140 D N -0.194 120.114 120.400 -0.153 0.000 2.360 140 D HA 0.105 4.745 4.640 -0.001 0.000 0.210 140 D C 0.563 176.688 176.300 -0.291 0.000 1.047 140 D CA 0.022 53.922 54.000 -0.166 0.000 0.854 140 D CB 0.510 41.250 40.800 -0.100 0.000 0.936 140 D HN 0.170 nan 8.370 nan 0.000 0.514 141 L N 0.529 121.475 121.223 -0.462 0.000 2.417 141 L HA 0.378 4.718 4.340 -0.001 0.000 0.268 141 L C 1.337 178.013 176.870 -0.322 0.000 1.158 141 L CA -0.659 53.896 54.840 -0.475 0.000 0.819 141 L CB 0.980 42.654 42.059 -0.641 0.000 1.112 141 L HN -0.027 nan 8.230 nan 0.000 0.458 142 G N 0.474 109.133 108.800 -0.234 0.000 2.572 142 G HA2 0.067 4.026 3.960 -0.001 0.000 0.261 142 G HA3 0.067 4.026 3.960 -0.001 0.000 0.261 142 G C 0.629 175.432 174.900 -0.162 0.000 1.197 142 G CA -0.278 44.727 45.100 -0.159 0.000 0.870 142 G HN 0.763 nan 8.290 nan 0.000 0.548 143 E N 0.150 120.287 120.200 -0.106 0.000 2.118 143 E HA -0.208 4.141 4.350 -0.001 0.000 0.195 143 E C 2.156 178.720 176.600 -0.059 0.000 0.992 143 E CA 1.609 57.964 56.400 -0.076 0.000 0.804 143 E CB -0.164 29.515 29.700 -0.034 0.000 0.741 143 E HN 0.577 nan 8.360 nan 0.000 0.458 144 N N 0.082 118.747 118.700 -0.058 0.000 2.084 144 N HA -0.180 4.559 4.740 -0.001 0.000 0.190 144 N C 1.431 176.910 175.510 -0.052 0.000 1.030 144 N CA 1.332 54.356 53.050 -0.045 0.000 0.849 144 N CB 0.008 38.465 38.487 -0.051 0.000 1.012 144 N HN 0.031 nan 8.380 nan 0.000 0.423 145 K N 1.261 121.608 120.400 -0.087 0.000 2.148 145 K HA -0.021 4.299 4.320 -0.001 0.000 0.204 145 K C 2.024 178.591 176.600 -0.055 0.000 1.050 145 K CA 0.643 56.878 56.287 -0.086 0.000 0.942 145 K CB -0.184 32.237 32.500 -0.132 0.000 0.724 145 K HN 0.319 nan 8.250 nan 0.000 0.446 146 K N 0.775 121.100 120.400 -0.124 0.000 2.057 146 K HA -0.052 4.268 4.320 -0.001 0.000 0.207 146 K C 2.253 178.938 176.600 0.142 0.000 1.049 146 K CA 1.002 57.233 56.287 -0.093 0.000 0.931 146 K CB -0.171 32.173 32.500 -0.260 0.000 0.714 146 K HN 0.044 nan 8.250 nan 0.000 0.440 147 L N 0.977 122.249 121.223 0.081 0.000 2.046 147 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 147 L C 2.539 179.482 176.870 0.122 0.000 1.077 147 L CA 1.320 56.224 54.840 0.107 0.000 0.747 147 L CB -0.411 41.687 42.059 0.064 0.000 0.896 147 L HN 0.266 nan 8.230 nan 0.000 0.432 148 Q N -0.883 118.975 119.800 0.096 0.000 2.124 148 Q HA -0.252 4.087 4.340 -0.001 0.000 0.202 148 Q C 2.201 178.302 176.000 0.167 0.000 0.977 148 Q CA 1.572 57.447 55.803 0.119 0.000 0.850 148 Q CB -0.173 28.588 28.738 0.039 0.000 0.901 148 Q HN 0.355 nan 8.270 nan 0.000 0.429 149 M N 1.218 120.941 119.600 0.206 0.000 2.132 149 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 149 M C 1.544 178.031 176.300 0.311 0.000 1.065 149 M CA 1.774 57.258 55.300 0.306 0.000 1.122 149 M CB 0.040 32.918 32.600 0.464 0.000 1.365 149 M HN -0.098 nan 8.290 nan 0.000 0.411 150 K N -0.357 120.224 120.400 0.303 0.000 2.147 150 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 150 K C 2.065 178.764 176.600 0.164 0.000 1.049 150 K CA 1.641 58.071 56.287 0.239 0.000 0.936 150 K CB -0.408 32.219 32.500 0.213 0.000 0.722 150 K HN 0.600 nan 8.250 nan 0.000 0.446 151 S N 1.813 117.600 115.700 0.146 0.000 2.368 151 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 151 S C 2.134 176.788 174.600 0.089 0.000 1.029 151 S CA 1.147 59.410 58.200 0.105 0.000 0.988 151 S CB -0.740 62.522 63.200 0.102 0.000 0.838 151 S HN 0.461 nan 8.310 nan 0.000 0.462 152 I N -0.383 120.250 120.570 0.106 0.000 2.830 152 I HA 0.077 4.247 4.170 -0.001 0.000 0.263 152 I C 1.936 178.084 176.117 0.052 0.000 1.230 152 I CA 0.534 61.876 61.300 0.070 0.000 1.480 152 I CB -0.393 37.651 38.000 0.074 0.000 1.095 152 I HN 0.149 nan 8.210 nan 0.000 0.455 153 V N 1.435 121.399 119.914 0.083 0.000 2.379 153 V HA -0.146 3.974 4.120 -0.001 0.000 0.243 153 V C 2.661 178.790 176.094 0.057 0.000 1.035 153 V CA 1.738 64.075 62.300 0.062 0.000 1.035 153 V CB -0.586 31.336 31.823 0.164 0.000 0.673 153 V HN 0.406 nan 8.190 nan 0.000 0.457 154 K N 1.521 121.963 120.400 0.070 0.000 2.147 154 K HA -0.216 4.104 4.320 -0.001 0.000 0.205 154 K C 1.746 178.363 176.600 0.029 0.000 1.049 154 K CA 1.820 58.136 56.287 0.049 0.000 0.936 154 K CB -0.172 32.359 32.500 0.052 0.000 0.722 154 K HN 0.667 nan 8.250 nan 0.000 0.446 155 N N -0.643 118.073 118.700 0.027 0.000 2.461 155 N HA -0.001 4.739 4.740 -0.001 0.000 0.188 155 N C 0.862 176.375 175.510 0.005 0.000 1.134 155 N CA 1.063 54.121 53.050 0.014 0.000 0.878 155 N CB 0.413 38.907 38.487 0.012 0.000 0.972 155 N HN 0.301 nan 8.380 nan 0.000 0.456 156 G N -0.355 108.445 108.800 -0.000 0.000 2.157 156 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.248 156 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.248 156 G C 0.791 175.677 174.900 -0.022 0.000 0.979 156 G CA 0.480 45.569 45.100 -0.017 0.000 0.650 156 G HN 0.455 nan 8.290 nan 0.000 0.529 157 Q N -1.194 118.600 119.800 -0.011 0.000 2.062 157 Q HA 0.210 4.549 4.340 -0.001 0.000 0.196 157 Q C 1.185 177.176 176.000 -0.015 0.000 0.967 157 Q CA 0.809 56.610 55.803 -0.003 0.000 0.832 157 Q CB 0.206 28.948 28.738 0.006 0.000 0.899 157 Q HN 0.464 nan 8.270 nan 0.000 0.442 158 L N 1.753 122.947 121.223 -0.047 0.000 2.265 158 L HA 0.370 4.709 4.340 -0.001 0.000 0.289 158 L C -1.008 175.688 176.870 -0.290 0.000 1.033 158 L CA 0.080 54.846 54.840 -0.124 0.000 0.814 158 L CB 1.357 43.350 42.059 -0.110 0.000 1.203 158 L HN 0.116 nan 8.230 nan 0.000 0.423 159 E N 4.789 124.783 120.200 -0.343 0.000 2.210 159 E HA 0.380 4.729 4.350 -0.001 0.000 0.266 159 E C -1.545 174.801 176.600 -0.424 0.000 0.883 159 E CA -0.676 55.527 56.400 -0.329 0.000 0.761 159 E CB 1.404 30.990 29.700 -0.190 0.000 1.156 159 E HN 0.492 nan 8.360 nan 0.000 0.412 160 F N 3.242 123.141 119.950 -0.084 0.000 2.427 160 F HA 0.237 4.763 4.527 -0.001 0.000 0.352 160 F C 0.253 176.022 175.800 -0.053 0.000 1.100 160 F CA -0.616 57.346 58.000 -0.063 0.000 1.191 160 F CB 1.290 40.264 39.000 -0.044 0.000 1.128 160 F HN 0.195 nan 8.300 nan 0.000 0.533 161 V N 0.126 120.102 119.914 0.104 0.000 2.459 161 V HA 0.635 4.755 4.120 -0.001 0.000 0.295 161 V C 0.193 176.419 176.094 0.221 0.000 1.029 161 V CA -0.519 61.844 62.300 0.105 0.000 0.874 161 V CB 0.835 32.622 31.823 -0.061 0.000 0.985 161 V HN 1.005 nan 8.190 nan 0.000 0.438 162 T N 3.294 118.052 114.554 0.340 0.000 13.097 162 T HA -0.279 4.070 4.350 -0.001 0.000 0.418 162 T C 1.682 176.613 174.700 0.385 0.000 1.446 162 T CA 2.643 64.996 62.100 0.422 0.000 2.371 162 T CB -1.687 67.328 68.868 0.245 0.000 2.810 162 T HN 2.762 nan 8.240 nan 0.000 0.655 163 G N 1.789 110.750 108.800 0.268 0.000 2.132 163 G HA2 0.137 4.097 3.960 -0.001 0.000 0.234 163 G HA3 0.137 4.097 3.960 -0.001 0.000 0.234 163 G C 0.277 175.314 174.900 0.227 0.000 0.989 163 G CA 0.575 45.808 45.100 0.220 0.000 0.676 163 G HN 1.541 nan 8.290 nan 0.000 0.522 164 G N -1.671 107.263 108.800 0.223 0.000 2.562 164 G HA2 0.396 4.355 3.960 -0.001 0.000 0.275 164 G HA3 0.396 4.355 3.960 -0.001 0.000 0.275 164 G C 0.940 176.009 174.900 0.282 0.000 1.196 164 G CA 0.108 45.352 45.100 0.239 0.000 0.908 164 G HN 0.340 nan 8.290 nan 0.000 0.524 165 W N 0.374 121.718 121.300 0.072 0.000 2.350 165 W HA -0.023 4.636 4.660 -0.001 0.000 0.289 165 W C 0.602 177.150 176.519 0.047 0.000 1.215 165 W CA 1.895 59.267 57.345 0.045 0.000 1.236 165 W CB 0.259 29.728 29.460 0.014 0.000 1.130 165 W HN 0.405 nan 8.180 nan 0.000 0.541 166 V N -2.758 117.273 119.914 0.194 0.000 3.103 166 V HA 0.500 4.620 4.120 -0.001 0.000 0.311 166 V C -0.519 175.662 176.094 0.146 0.000 1.322 166 V CA -1.256 61.105 62.300 0.102 0.000 1.063 166 V CB 1.747 33.646 31.823 0.127 0.000 1.090 166 V HN -0.075 nan 8.190 nan 0.000 0.462 167 M N 3.949 123.665 119.600 0.193 0.000 2.131 167 M HA 0.507 4.987 4.480 -0.001 0.000 0.345 167 M C -2.697 173.770 176.300 0.279 0.000 1.060 167 M CA -1.941 53.489 55.300 0.217 0.000 1.011 167 M CB 1.394 34.153 32.600 0.264 0.000 1.328 167 M HN 0.676 nan 8.290 nan 0.000 0.396 168 P HA 0.067 nan 4.420 nan 0.000 0.272 168 P C -0.932 176.388 177.300 0.034 0.000 1.223 168 P CA -0.033 63.127 63.100 0.100 0.000 0.784 168 P CB 0.570 32.315 31.700 0.075 0.000 0.923 169 D N 0.785 121.171 120.400 -0.023 0.000 2.423 169 D HA -0.032 4.607 4.640 -0.001 0.000 0.238 169 D C 0.607 176.927 176.300 0.034 0.000 1.142 169 D CA 0.398 54.361 54.000 -0.062 0.000 0.884 169 D CB 0.426 41.200 40.800 -0.043 0.000 1.199 169 D HN 0.315 nan 8.370 nan 0.000 0.438 170 E N 1.311 121.576 120.200 0.109 0.000 2.526 170 E HA 0.208 4.558 4.350 -0.001 0.000 0.208 170 E C 0.758 177.550 176.600 0.321 0.000 0.997 170 E CA -0.040 56.490 56.400 0.215 0.000 0.961 170 E CB 0.758 30.596 29.700 0.231 0.000 1.030 170 E HN 0.489 nan 8.360 nan 0.000 0.483 171 A N 1.403 124.355 122.820 0.221 0.000 1.887 171 A HA 0.022 4.341 4.320 -0.001 0.000 0.210 171 A C 1.806 179.288 177.584 -0.170 0.000 1.221 171 A CA 0.521 52.463 52.037 -0.159 0.000 0.635 171 A CB 0.025 18.887 19.000 -0.230 0.000 0.881 171 A HN 0.038 nan 8.150 nan 0.000 0.456 172 N N 0.861 119.547 118.700 -0.024 0.000 2.405 172 N HA -0.002 4.737 4.740 -0.001 0.000 0.175 172 N C 0.557 176.065 175.510 -0.005 0.000 1.051 172 N CA 0.790 53.822 53.050 -0.029 0.000 0.899 172 N CB -0.046 38.467 38.487 0.042 0.000 1.000 172 N HN 0.505 nan 8.380 nan 0.000 0.451 173 S N 0.897 116.606 115.700 0.015 0.000 2.562 173 S HA 0.010 4.479 4.470 -0.001 0.000 0.281 173 S C 0.019 174.644 174.600 0.042 0.000 1.333 173 S CA -0.536 57.684 58.200 0.033 0.000 1.052 173 S CB 1.038 64.261 63.200 0.038 0.000 0.884 173 S HN 0.215 nan 8.310 nan 0.000 0.506 174 H N 3.528 122.585 119.070 -0.022 0.000 2.525 174 H HA 0.068 4.623 4.556 -0.001 0.000 0.339 174 H C 1.243 176.552 175.328 -0.032 0.000 1.109 174 H CA -0.409 55.614 56.048 -0.042 0.000 1.352 174 H CB 0.584 30.272 29.762 -0.123 0.000 1.461 174 H HN 1.029 nan 8.280 nan 0.000 0.533 175 W N 5.738 126.992 121.300 -0.077 0.000 2.350 175 W HA -0.169 4.490 4.660 -0.001 0.000 0.289 175 W C 1.034 177.636 176.519 0.138 0.000 1.215 175 W CA 0.398 57.754 57.345 0.019 0.000 1.236 175 W CB -0.474 28.940 29.460 -0.077 0.000 1.130 175 W HN 0.531 nan 8.180 nan 0.000 0.541 176 R N 0.776 120.899 120.500 -0.627 0.000 2.096 176 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 176 R C 2.004 178.138 176.300 -0.278 0.000 1.127 176 R CA 1.876 57.502 56.100 -0.790 0.000 0.968 176 R CB -0.409 29.357 30.300 -0.889 0.000 0.861 176 R HN 0.138 nan 8.270 nan 0.000 0.440 177 N N -0.229 118.393 118.700 -0.130 0.000 2.376 177 N HA -0.054 4.686 4.740 -0.001 0.000 0.177 177 N C 1.682 177.197 175.510 0.008 0.000 1.024 177 N CA 0.675 53.692 53.050 -0.055 0.000 0.893 177 N CB 0.048 38.523 38.487 -0.021 0.000 0.980 177 N HN 0.000 nan 8.380 nan 0.000 0.439 178 V N 1.319 121.264 119.914 0.052 0.000 2.358 178 V HA -0.152 3.968 4.120 -0.001 0.000 0.246 178 V C 2.288 178.431 176.094 0.081 0.000 1.047 178 V CA 0.988 63.338 62.300 0.083 0.000 1.035 178 V CB -0.421 31.474 31.823 0.120 0.000 0.658 178 V HN 0.189 nan 8.190 nan 0.000 0.452 179 L N -0.327 120.952 121.223 0.093 0.000 2.056 179 L HA -0.089 4.251 4.340 -0.001 0.000 0.207 179 L C 2.158 179.041 176.870 0.021 0.000 1.078 179 L CA 1.751 56.639 54.840 0.080 0.000 0.749 179 L CB -0.664 41.475 42.059 0.133 0.000 0.901 179 L HN 0.267 nan 8.230 nan 0.000 0.433 180 L N 0.017 121.231 121.223 -0.015 0.000 1.989 180 L HA -0.260 4.080 4.340 -0.001 0.000 0.211 180 L C 2.608 179.469 176.870 -0.015 0.000 1.071 180 L CA 2.415 57.234 54.840 -0.036 0.000 0.749 180 L CB -0.837 41.182 42.059 -0.067 0.000 0.890 180 L HN 0.683 nan 8.230 nan 0.000 0.431 181 Q N -1.017 118.795 119.800 0.021 0.000 2.167 181 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 181 Q C 2.008 178.092 176.000 0.140 0.000 0.970 181 Q CA 2.056 57.906 55.803 0.078 0.000 0.855 181 Q CB -1.138 27.682 28.738 0.137 0.000 0.911 181 Q HN 0.480 nan 8.270 nan 0.000 0.438 182 L N 0.767 122.058 121.223 0.113 0.000 2.056 182 L HA -0.076 4.264 4.340 -0.001 0.000 0.207 182 L C 1.909 178.861 176.870 0.137 0.000 1.078 182 L CA 2.423 57.344 54.840 0.135 0.000 0.749 182 L CB -1.003 41.114 42.059 0.096 0.000 0.901 182 L HN 0.320 nan 8.230 nan 0.000 0.433 183 T N -0.906 113.697 114.554 0.082 0.000 2.746 183 T HA -0.184 4.166 4.350 -0.001 0.000 0.267 183 T C 1.722 176.479 174.700 0.094 0.000 1.039 183 T CA 1.441 63.583 62.100 0.069 0.000 1.142 183 T CB -0.184 68.693 68.868 0.015 0.000 0.866 183 T HN 0.336 nan 8.240 nan 0.000 0.444 184 E N 1.027 121.258 120.200 0.052 0.000 2.051 184 E HA -0.052 4.297 4.350 -0.001 0.000 0.192 184 E C 2.335 179.066 176.600 0.218 0.000 0.991 184 E CA 1.575 57.968 56.400 -0.012 0.000 0.799 184 E CB -0.867 28.649 29.700 -0.307 0.000 0.748 184 E HN 0.453 nan 8.360 nan 0.000 0.449 185 G N -0.138 108.879 108.800 0.362 0.000 2.394 185 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.215 185 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.215 185 G C 1.485 176.602 174.900 0.361 0.000 1.165 185 G CA 0.643 46.036 45.100 0.488 0.000 0.784 185 G HN 0.260 nan 8.290 nan 0.000 0.535 186 Q N -0.127 119.825 119.800 0.253 0.000 2.172 186 Q HA -0.059 4.280 4.340 -0.001 0.000 0.200 186 Q C 2.776 178.876 176.000 0.168 0.000 0.964 186 Q CA 1.439 57.352 55.803 0.183 0.000 0.855 186 Q CB -0.233 28.596 28.738 0.150 0.000 0.918 186 Q HN 0.404 nan 8.270 nan 0.000 0.444 187 T N 0.167 114.833 114.554 0.187 0.000 2.821 187 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 187 T C 1.092 175.902 174.700 0.183 0.000 1.046 187 T CA 1.034 63.222 62.100 0.147 0.000 1.139 187 T CB -0.332 68.619 68.868 0.138 0.000 0.871 187 T HN 0.475 nan 8.240 nan 0.000 0.454 188 W N 1.565 122.966 121.300 0.169 0.000 2.355 188 W HA 0.002 4.661 4.660 -0.001 0.000 0.309 188 W C 1.765 178.405 176.519 0.201 0.000 1.206 188 W CA 0.796 58.321 57.345 0.301 0.000 1.284 188 W CB -0.426 29.279 29.460 0.409 0.000 1.145 188 W HN 0.128 nan 8.180 nan 0.000 0.502 189 L N 0.725 122.173 121.223 0.375 0.000 2.042 189 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 189 L C 2.614 179.418 176.870 -0.110 0.000 1.076 189 L CA 1.919 56.799 54.840 0.066 0.000 0.749 189 L CB -0.923 41.112 42.059 -0.039 0.000 0.893 189 L HN 0.001 nan 8.230 nan 0.000 0.432 190 K N -0.044 120.313 120.400 -0.071 0.000 2.057 190 K HA -0.255 4.064 4.320 -0.001 0.000 0.206 190 K C 2.196 178.665 176.600 -0.218 0.000 1.050 190 K CA 1.550 57.771 56.287 -0.110 0.000 0.935 190 K CB -0.028 32.434 32.500 -0.062 0.000 0.715 190 K HN 0.250 nan 8.250 nan 0.000 0.439 191 Q N -0.761 118.841 119.800 -0.331 0.000 2.079 191 Q HA -0.142 4.198 4.340 -0.001 0.000 0.200 191 Q C 1.490 176.990 176.000 -0.832 0.000 0.974 191 Q CA 1.767 57.211 55.803 -0.599 0.000 0.840 191 Q CB 0.039 28.304 28.738 -0.789 0.000 0.898 191 Q HN 0.342 nan 8.270 nan 0.000 0.430 192 F N -1.628 117.954 119.950 -0.614 0.000 2.622 192 F HA 0.124 4.650 4.527 -0.001 0.000 0.288 192 F C 1.814 177.316 175.800 -0.497 0.000 1.120 192 F CA 0.039 57.624 58.000 -0.692 0.000 1.423 192 F CB 0.374 38.547 39.000 -1.378 0.000 1.127 192 F HN 0.086 nan 8.300 nan 0.000 0.588 193 M N -0.619 118.822 119.600 -0.265 0.000 2.367 193 M HA 0.184 4.663 4.480 -0.001 0.000 0.256 193 M C 0.290 176.566 176.300 -0.040 0.000 1.091 193 M CA 0.294 55.544 55.300 -0.083 0.000 1.049 193 M CB -0.897 31.683 32.600 -0.034 0.000 1.406 193 M HN 0.136 nan 8.290 nan 0.000 0.498 194 N N 1.636 120.278 118.700 -0.096 0.000 2.740 194 N HA -0.136 4.603 4.740 -0.001 0.000 0.248 194 N C -1.056 174.436 175.510 -0.031 0.000 1.062 194 N CA 0.741 53.751 53.050 -0.067 0.000 0.704 194 N CB -0.993 37.467 38.487 -0.045 0.000 0.968 194 N HN 0.304 nan 8.380 nan 0.000 0.547 195 V N -3.628 116.267 119.914 -0.030 0.000 3.012 195 V HA 0.863 4.983 4.120 -0.001 0.000 0.307 195 V C -0.071 176.008 176.094 -0.024 0.000 1.166 195 V CA -0.445 61.852 62.300 -0.004 0.000 0.974 195 V CB 2.302 34.166 31.823 0.069 0.000 1.040 195 V HN 0.071 nan 8.190 nan 0.000 0.428 196 T N 4.043 118.573 114.554 -0.039 0.000 2.930 196 T HA 0.575 4.925 4.350 -0.001 0.000 0.313 196 T C -2.762 171.856 174.700 -0.137 0.000 1.019 196 T CA -0.794 61.263 62.100 -0.071 0.000 1.004 196 T CB 1.383 70.201 68.868 -0.084 0.000 0.987 196 T HN 0.770 nan 8.240 nan 0.000 0.456 197 P HA 0.162 nan 4.420 nan 0.000 0.266 197 P C 0.826 177.735 177.300 -0.652 0.000 1.195 197 P CA -0.131 62.848 63.100 -0.202 0.000 0.768 197 P CB 0.520 32.218 31.700 -0.005 0.000 0.838 198 T N -1.552 112.678 114.554 -0.540 0.000 3.043 198 T HA 0.544 4.893 4.350 -0.001 0.000 0.272 198 T C 0.303 174.812 174.700 -0.319 0.000 0.990 198 T CA -0.292 61.373 62.100 -0.725 0.000 0.897 198 T CB 0.133 68.787 68.868 -0.356 0.000 1.111 198 T HN 0.407 nan 8.240 nan 0.000 0.529 199 A N 0.844 123.631 122.820 -0.055 0.000 2.343 199 A HA 0.793 5.113 4.320 -0.001 0.000 0.316 199 A C -0.175 177.671 177.584 0.437 0.000 1.104 199 A CA -0.684 51.478 52.037 0.209 0.000 0.768 199 A CB 1.806 20.941 19.000 0.224 0.000 1.213 199 A HN 0.253 nan 8.150 nan 0.000 0.456 200 S N 2.266 118.220 115.700 0.424 0.000 2.565 200 S HA 0.674 5.143 4.470 -0.001 0.000 0.290 200 S C -1.073 173.722 174.600 0.324 0.000 1.150 200 S CA -0.418 57.975 58.200 0.321 0.000 1.058 200 S CB 0.718 63.936 63.200 0.030 0.000 1.032 200 S HN 0.812 nan 8.310 nan 0.000 0.510 201 W N 4.614 125.935 121.300 0.035 0.000 2.543 201 W HA 0.631 5.290 4.660 -0.001 0.000 0.318 201 W C -1.515 174.957 176.519 -0.079 0.000 1.002 201 W CA -0.831 56.487 57.345 -0.044 0.000 1.302 201 W CB 1.048 30.455 29.460 -0.089 0.000 1.299 201 W HN 0.776 nan 8.180 nan 0.000 0.424 202 A N 7.974 130.633 122.820 -0.269 0.000 2.763 202 A HA 0.304 4.623 4.320 -0.001 0.000 0.325 202 A C 0.263 177.588 177.584 -0.431 0.000 1.209 202 A CA -0.494 51.393 52.037 -0.250 0.000 0.764 202 A CB -0.249 18.736 19.000 -0.026 0.000 1.120 202 A HN 0.708 nan 8.150 nan 0.000 0.463 203 I N -2.520 117.622 120.570 -0.713 0.000 3.728 203 I HA 0.287 4.457 4.170 -0.001 0.000 0.307 203 I C 0.681 176.477 176.117 -0.535 0.000 1.276 203 I CA 0.715 61.576 61.300 -0.732 0.000 1.285 203 I CB 0.425 37.761 38.000 -1.107 0.000 1.038 203 I HN 0.335 nan 8.210 nan 0.000 0.445 204 D N 0.545 120.588 120.400 -0.594 0.000 2.489 204 D HA 0.247 4.887 4.640 -0.001 0.000 0.231 204 D C -2.165 173.710 176.300 -0.708 0.000 1.114 204 D CA -0.784 52.859 54.000 -0.595 0.000 0.842 204 D CB 0.066 40.426 40.800 -0.732 0.000 1.133 204 D HN 0.175 nan 8.370 nan 0.000 0.506 205 P HA -0.001 nan 4.420 nan 0.000 0.265 205 P C -0.471 176.384 177.300 -0.742 0.000 1.187 205 P CA 0.148 62.739 63.100 -0.849 0.000 0.766 205 P CB 0.137 31.482 31.700 -0.591 0.000 0.820 206 F N 2.637 122.352 119.950 -0.393 0.000 2.661 206 F HA 0.521 5.047 4.527 -0.001 0.000 0.356 206 F C 1.465 177.229 175.800 -0.061 0.000 1.244 206 F CA -0.569 57.168 58.000 -0.439 0.000 1.290 206 F CB -1.282 37.608 39.000 -0.183 0.000 1.677 206 F HN 0.475 nan 8.300 nan 0.000 0.649 207 G N 0.998 109.601 108.800 -0.329 0.000 2.587 207 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.686 207 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.686 207 G C -1.552 173.031 174.900 -0.527 0.000 1.236 207 G CA -1.196 43.830 45.100 -0.122 0.000 0.820 207 G HN 0.552 nan 8.290 nan 0.000 0.645 208 H N -0.525 118.276 119.070 -0.450 0.000 2.690 208 H HA 0.775 5.330 4.556 -0.001 0.000 0.368 208 H C -0.344 174.844 175.328 -0.234 0.000 1.150 208 H CA 0.032 55.971 56.048 -0.181 0.000 1.174 208 H CB 2.088 31.905 29.762 0.092 0.000 1.684 208 H HN 0.670 nan 8.280 nan 0.000 0.538 209 S N 2.237 118.063 115.700 0.211 0.000 2.503 209 S HA 0.253 4.723 4.470 -0.001 0.000 0.301 209 S C -1.807 172.809 174.600 0.027 0.000 1.087 209 S CA -1.786 56.546 58.200 0.220 0.000 1.042 209 S CB 1.366 64.755 63.200 0.314 0.000 1.043 209 S HN 0.451 nan 8.310 nan 0.000 0.489 210 P HA 0.008 nan 4.420 nan 0.000 0.234 210 P C 1.060 178.097 177.300 -0.438 0.000 1.167 210 P CA 0.746 63.437 63.100 -0.683 0.000 0.763 210 P CB -0.216 31.264 31.700 -0.368 0.000 0.835 211 T N -0.266 114.177 114.554 -0.185 0.000 2.881 211 T HA -0.070 4.279 4.350 -0.001 0.000 0.270 211 T C 1.828 176.492 174.700 -0.059 0.000 1.068 211 T CA 1.125 63.168 62.100 -0.095 0.000 1.131 211 T CB -0.364 68.490 68.868 -0.023 0.000 0.871 211 T HN -0.014 nan 8.240 nan 0.000 0.479 212 M N 1.013 120.533 119.600 -0.133 0.000 2.064 212 M HA 0.009 4.489 4.480 -0.001 0.000 0.260 212 M C -0.631 175.538 176.300 -0.217 0.000 1.073 212 M CA 1.169 56.388 55.300 -0.135 0.000 1.124 212 M CB -2.470 30.073 32.600 -0.095 0.000 1.326 212 M HN 0.123 nan 8.290 nan 0.000 0.410 213 P HA -0.200 nan 4.420 nan 0.000 0.218 213 P C 1.656 178.835 177.300 -0.200 0.000 1.149 213 P CA 1.411 64.324 63.100 -0.311 0.000 0.817 213 P CB -0.419 30.999 31.700 -0.471 0.000 0.785 214 Y N 1.200 121.322 120.300 -0.296 0.000 2.097 214 Y HA -0.207 4.342 4.550 -0.001 0.000 0.282 214 Y C 2.420 178.243 175.900 -0.129 0.000 1.152 214 Y CA 1.696 59.682 58.100 -0.188 0.000 1.136 214 Y CB -1.011 37.357 38.460 -0.153 0.000 0.975 214 Y HN -0.237 nan 8.280 nan 0.000 0.498 215 I N -0.430 120.140 120.570 0.000 0.000 2.202 215 I HA -0.311 3.858 4.170 -0.001 0.000 0.242 215 I C 2.314 178.351 176.117 -0.133 0.000 1.091 215 I CA 1.224 62.493 61.300 -0.053 0.000 1.368 215 I CB -0.464 37.576 38.000 0.067 0.000 1.058 215 I HN 0.262 nan 8.210 nan 0.000 0.410 216 L N 0.119 121.216 121.223 -0.210 0.000 2.017 216 L HA -0.239 4.101 4.340 -0.001 0.000 0.208 216 L C 2.713 179.564 176.870 -0.032 0.000 1.073 216 L CA 1.281 55.929 54.840 -0.318 0.000 0.745 216 L CB -0.763 40.914 42.059 -0.636 0.000 0.894 216 L HN 0.352 nan 8.230 nan 0.000 0.432 217 Q N 1.117 120.865 119.800 -0.086 0.000 2.170 217 Q HA -0.202 4.137 4.340 -0.001 0.000 0.203 217 Q C 1.687 177.646 176.000 -0.068 0.000 0.976 217 Q CA 1.542 57.316 55.803 -0.049 0.000 0.858 217 Q CB 0.094 28.773 28.738 -0.100 0.000 0.907 217 Q HN 0.473 nan 8.270 nan 0.000 0.433 218 K N -0.506 119.811 120.400 -0.139 0.000 2.458 218 K HA 0.115 4.434 4.320 -0.001 0.000 0.194 218 K C 0.594 177.156 176.600 -0.063 0.000 1.024 218 K CA 0.080 56.279 56.287 -0.148 0.000 1.108 218 K CB 0.527 32.861 32.500 -0.277 0.000 0.846 218 K HN -0.080 nan 8.250 nan 0.000 0.518 219 S N -0.239 115.480 115.700 0.032 0.000 2.741 219 S HA 0.204 4.674 4.470 -0.001 0.000 0.247 219 S C 0.759 175.458 174.600 0.166 0.000 1.050 219 S CA 0.100 58.367 58.200 0.110 0.000 1.025 219 S CB 1.297 64.605 63.200 0.180 0.000 0.897 219 S HN 0.528 nan 8.310 nan 0.000 0.508 220 G N 1.241 110.091 108.800 0.084 0.000 2.199 220 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.254 220 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.254 220 G C 0.012 174.888 174.900 -0.039 0.000 0.982 220 G CA -0.348 44.748 45.100 -0.007 0.000 0.632 220 G HN 0.449 nan 8.290 nan 0.000 0.529 221 F N 0.587 120.498 119.950 -0.065 0.000 2.496 221 F HA 0.526 5.052 4.527 -0.001 0.000 0.344 221 F C 1.702 177.444 175.800 -0.097 0.000 1.155 221 F CA 0.609 58.566 58.000 -0.073 0.000 1.302 221 F CB 0.922 39.882 39.000 -0.066 0.000 1.159 221 F HN -0.050 nan 8.300 nan 0.000 0.595 222 K N 0.510 120.930 120.400 0.033 0.000 2.464 222 K HA 0.221 4.541 4.320 -0.001 0.000 0.206 222 K C -0.604 175.934 176.600 -0.103 0.000 1.186 222 K CA -0.058 56.189 56.287 -0.066 0.000 0.990 222 K CB 0.501 32.913 32.500 -0.147 0.000 1.003 222 K HN 0.602 nan 8.250 nan 0.000 0.562 223 N N 0.693 119.314 118.700 -0.133 0.000 2.484 223 N HA 0.431 5.170 4.740 -0.001 0.000 0.269 223 N C -1.415 173.941 175.510 -0.256 0.000 1.237 223 N CA -0.785 52.025 53.050 -0.400 0.000 0.838 223 N CB 2.013 39.712 38.487 -1.314 0.000 1.593 223 N HN -0.050 nan 8.380 nan 0.000 0.485 224 M N -0.149 119.308 119.600 -0.239 0.000 2.520 224 M HA 0.613 5.092 4.480 -0.001 0.000 0.283 224 M C -2.102 174.251 176.300 0.089 0.000 1.237 224 M CA -0.918 54.370 55.300 -0.020 0.000 0.885 224 M CB 2.442 35.023 32.600 -0.033 0.000 1.727 224 M HN 0.515 nan 8.290 nan 0.000 0.468 225 L N 4.203 125.500 121.223 0.125 0.000 2.386 225 L HA 0.874 5.213 4.340 -0.001 0.000 0.271 225 L C -1.436 175.304 176.870 -0.216 0.000 0.993 225 L CA -0.770 54.101 54.840 0.051 0.000 0.819 225 L CB 1.933 44.070 42.059 0.131 0.000 1.294 225 L HN 0.959 nan 8.230 nan 0.000 0.414 226 I N 0.967 121.323 120.570 -0.356 0.000 3.042 226 I HA 0.612 4.782 4.170 -0.001 0.000 0.310 226 I C -0.672 175.153 176.117 -0.486 0.000 1.117 226 I CA -0.581 60.323 61.300 -0.659 0.000 1.003 226 I CB 2.223 39.537 38.000 -1.143 0.000 1.228 226 I HN 0.732 nan 8.210 nan 0.000 0.443 227 Q N 2.091 121.678 119.800 -0.355 0.000 2.536 227 Q HA 0.330 4.670 4.340 -0.001 0.000 0.212 227 Q C 0.043 175.938 176.000 -0.175 0.000 0.743 227 Q CA 0.375 56.033 55.803 -0.241 0.000 0.929 227 Q CB 0.524 29.107 28.738 -0.258 0.000 1.313 227 Q HN 0.650 nan 8.270 nan 0.000 0.524 228 R N 2.078 122.467 120.500 -0.185 0.000 2.441 228 R HA 0.316 4.655 4.340 -0.001 0.000 0.300 228 R C -0.670 175.382 176.300 -0.413 0.000 1.284 228 R CA 0.697 56.466 56.100 -0.552 0.000 1.069 228 R CB -0.007 29.605 30.300 -1.147 0.000 1.087 228 R HN 0.409 nan 8.270 nan 0.000 0.519 229 T N -2.289 112.258 114.554 -0.012 0.000 2.907 229 T HA 0.122 4.472 4.350 -0.001 0.000 0.292 229 T C -0.088 174.882 174.700 0.449 0.000 1.043 229 T CA -0.924 61.297 62.100 0.202 0.000 1.003 229 T CB 1.708 70.537 68.868 -0.065 0.000 1.084 229 T HN 0.440 nan 8.240 nan 0.000 0.483 230 H N 2.079 121.372 119.070 0.372 0.000 3.140 230 H HA -0.061 4.494 4.556 -0.001 0.000 0.316 230 H C 1.082 176.460 175.328 0.083 0.000 0.986 230 H CA 0.684 56.831 56.048 0.165 0.000 1.397 230 H CB 0.331 30.214 29.762 0.201 0.000 1.377 230 H HN 0.930 nan 8.280 nan 0.000 0.585 231 Y N 2.387 122.779 120.300 0.153 0.000 2.256 231 Y HA -0.187 4.362 4.550 -0.001 0.000 0.288 231 Y C 2.220 178.283 175.900 0.273 0.000 1.155 231 Y CA 1.005 59.230 58.100 0.209 0.000 1.203 231 Y CB -0.691 37.828 38.460 0.098 0.000 0.980 231 Y HN 0.298 nan 8.280 nan 0.000 0.530 232 S N 0.308 116.049 115.700 0.069 0.000 2.402 232 S HA -0.119 4.350 4.470 -0.001 0.000 0.229 232 S C 2.083 176.605 174.600 -0.130 0.000 1.021 232 S CA 1.190 59.320 58.200 -0.115 0.000 0.974 232 S CB -0.550 62.340 63.200 -0.517 0.000 0.800 232 S HN 0.376 nan 8.310 nan 0.000 0.484 233 V N 1.877 121.779 119.914 -0.020 0.000 2.358 233 V HA -0.152 3.967 4.120 -0.001 0.000 0.246 233 V C 2.226 178.361 176.094 0.067 0.000 1.047 233 V CA 1.549 63.867 62.300 0.030 0.000 1.035 233 V CB -0.478 31.470 31.823 0.208 0.000 0.658 233 V HN 0.408 nan 8.190 nan 0.000 0.452 234 K N 0.120 120.601 120.400 0.135 0.000 2.063 234 K HA -0.243 4.077 4.320 -0.001 0.000 0.208 234 K C 2.276 179.007 176.600 0.218 0.000 1.048 234 K CA 1.764 58.147 56.287 0.160 0.000 0.928 234 K CB -0.229 32.422 32.500 0.251 0.000 0.713 234 K HN 0.340 nan 8.250 nan 0.000 0.442 235 K N 1.195 121.724 120.400 0.215 0.000 2.026 235 K HA -0.233 4.086 4.320 -0.001 0.000 0.208 235 K C 2.135 178.831 176.600 0.160 0.000 1.048 235 K CA 1.740 58.161 56.287 0.222 0.000 0.929 235 K CB 0.045 32.604 32.500 0.098 0.000 0.713 235 K HN -0.017 nan 8.250 nan 0.000 0.439 236 E N 0.870 121.085 120.200 0.025 0.000 2.031 236 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 236 E C 1.938 178.534 176.600 -0.007 0.000 0.994 236 E CA 1.461 57.835 56.400 -0.044 0.000 0.800 236 E CB -0.192 29.433 29.700 -0.124 0.000 0.752 236 E HN 0.342 nan 8.360 nan 0.000 0.447 237 L N -0.172 121.058 121.223 0.012 0.000 2.141 237 L HA -0.067 4.272 4.340 -0.001 0.000 0.209 237 L C 2.502 179.395 176.870 0.038 0.000 1.094 237 L CA 0.885 55.728 54.840 0.005 0.000 0.763 237 L CB -0.566 41.484 42.059 -0.015 0.000 0.908 237 L HN 0.216 nan 8.230 nan 0.000 0.437 238 A N -0.119 122.775 122.820 0.122 0.000 1.902 238 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 238 A C 2.217 179.984 177.584 0.306 0.000 1.181 238 A CA 1.424 53.586 52.037 0.209 0.000 0.623 238 A CB -0.443 18.826 19.000 0.448 0.000 0.818 238 A HN 0.476 nan 8.150 nan 0.000 0.443 239 Q N -0.828 119.117 119.800 0.241 0.000 2.226 239 Q HA -0.148 4.192 4.340 -0.001 0.000 0.204 239 Q C 1.260 177.256 176.000 -0.006 0.000 0.975 239 Q CA 1.201 56.998 55.803 -0.011 0.000 0.866 239 Q CB -0.061 28.515 28.738 -0.270 0.000 0.915 239 Q HN 0.628 nan 8.270 nan 0.000 0.440 240 Q N -0.150 119.657 119.800 0.011 0.000 2.247 240 Q HA 0.152 4.492 4.340 -0.001 0.000 0.204 240 Q C -0.381 175.637 176.000 0.029 0.000 0.872 240 Q CA -0.073 55.732 55.803 0.003 0.000 0.951 240 Q CB 0.715 29.445 28.738 -0.015 0.000 1.099 240 Q HN 0.278 nan 8.270 nan 0.000 0.501 241 R N 0.966 121.489 120.500 0.037 0.000 3.333 241 R HA -0.201 4.138 4.340 -0.001 0.000 0.256 241 R C -0.215 176.114 176.300 0.050 0.000 1.010 241 R CA 0.478 56.589 56.100 0.018 0.000 0.680 241 R CB -1.853 28.482 30.300 0.059 0.000 1.102 241 R HN 0.407 nan 8.270 nan 0.000 0.440 242 Q N 0.061 119.883 119.800 0.037 0.000 2.182 242 Q HA 0.200 4.539 4.340 -0.001 0.000 0.270 242 Q C 1.240 177.329 176.000 0.149 0.000 0.861 242 Q CA -0.251 55.613 55.803 0.101 0.000 1.098 242 Q CB 0.564 29.328 28.738 0.043 0.000 1.188 242 Q HN 0.428 nan 8.270 nan 0.000 0.464 243 L N 0.129 121.365 121.223 0.023 0.000 2.395 243 L HA 0.032 4.372 4.340 -0.001 0.000 0.218 243 L C 0.365 177.206 176.870 -0.048 0.000 1.130 243 L CA 1.024 55.840 54.840 -0.039 0.000 0.826 243 L CB 0.325 42.168 42.059 -0.359 0.000 0.941 243 L HN 0.203 nan 8.230 nan 0.000 0.451 244 E N 0.137 120.355 120.200 0.029 0.000 2.176 244 E HA 0.494 4.843 4.350 -0.001 0.000 0.267 244 E C -1.248 175.243 176.600 -0.182 0.000 0.893 244 E CA -0.507 55.711 56.400 -0.304 0.000 0.761 244 E CB 1.533 31.235 29.700 0.003 0.000 1.133 244 E HN -0.012 nan 8.360 nan 0.000 0.409 245 F N -0.252 119.444 119.950 -0.423 0.000 2.686 245 F HA 0.483 5.009 4.527 -0.001 0.000 0.311 245 F C -1.452 174.231 175.800 -0.195 0.000 1.128 245 F CA -1.410 56.479 58.000 -0.185 0.000 0.946 245 F CB 0.796 39.725 39.000 -0.117 0.000 1.336 245 F HN 0.157 nan 8.300 nan 0.000 0.457 246 L N 2.548 123.935 121.223 0.274 0.000 2.282 246 L HA 0.164 4.503 4.340 -0.001 0.000 0.287 246 L C -1.065 176.036 176.870 0.385 0.000 1.075 246 L CA -0.243 54.751 54.840 0.256 0.000 0.839 246 L CB 0.405 42.616 42.059 0.253 0.000 1.219 246 L HN 0.568 nan 8.230 nan 0.000 0.434 247 W N 6.735 128.158 121.300 0.206 0.000 2.437 247 W HA 0.277 4.936 4.660 -0.001 0.000 0.312 247 W C 0.363 176.910 176.519 0.047 0.000 1.242 247 W CA -1.131 56.338 57.345 0.208 0.000 1.340 247 W CB 0.339 29.966 29.460 0.279 0.000 1.327 247 W HN 0.505 nan 8.180 nan 0.000 0.476 248 R N 3.753 124.428 120.500 0.292 0.000 2.828 248 R HA 0.540 4.879 4.340 -0.001 0.000 0.264 248 R C -0.138 176.071 176.300 -0.152 0.000 1.022 248 R CA -0.931 55.167 56.100 -0.003 0.000 1.021 248 R CB 1.091 31.376 30.300 -0.026 0.000 1.163 248 R HN 0.218 nan 8.270 nan 0.000 0.494 249 Q N 1.414 120.966 119.800 -0.414 0.000 2.394 249 Q HA 0.068 4.407 4.340 -0.001 0.000 0.248 249 Q C 1.470 177.095 176.000 -0.626 0.000 0.992 249 Q CA 0.068 55.428 55.803 -0.738 0.000 0.888 249 Q CB 0.849 28.650 28.738 -1.563 0.000 1.257 249 Q HN 0.849 nan 8.270 nan 0.000 0.462 250 I N -1.971 118.348 120.570 -0.418 0.000 2.530 250 I HA -0.171 3.998 4.170 -0.001 0.000 0.257 250 I C 1.261 177.339 176.117 -0.064 0.000 1.179 250 I CA 1.408 62.615 61.300 -0.155 0.000 1.440 250 I CB -0.356 37.648 38.000 0.006 0.000 1.087 250 I HN 0.683 nan 8.210 nan 0.000 0.440 251 W N 1.224 122.592 121.300 0.114 0.000 3.220 251 W HA 0.376 5.036 4.660 -0.001 0.000 0.328 251 W C 0.247 176.851 176.519 0.142 0.000 1.205 251 W CA -0.679 56.798 57.345 0.220 0.000 1.773 251 W CB -0.658 29.015 29.460 0.356 0.000 1.086 251 W HN -0.085 nan 8.180 nan 0.000 0.622 252 D N 2.021 122.153 120.400 -0.447 0.000 2.402 252 D HA -0.039 4.601 4.640 -0.001 0.000 0.235 252 D C 1.046 177.314 176.300 -0.053 0.000 1.226 252 D CA 0.306 54.174 54.000 -0.219 0.000 0.918 252 D CB 0.100 40.685 40.800 -0.357 0.000 1.043 252 D HN 0.057 nan 8.370 nan 0.000 0.506 253 N N 3.513 122.241 118.700 0.048 0.000 2.300 253 N HA -0.107 4.633 4.740 -0.001 0.000 0.179 253 N C 1.340 176.868 175.510 0.030 0.000 1.016 253 N CA 0.558 53.631 53.050 0.039 0.000 0.876 253 N CB 0.242 38.772 38.487 0.073 0.000 0.979 253 N HN 0.403 nan 8.380 nan 0.000 0.432 254 K N -0.318 120.106 120.400 0.040 0.000 2.116 254 K HA -0.015 4.304 4.320 -0.001 0.000 0.203 254 K C 0.736 177.351 176.600 0.024 0.000 1.052 254 K CA 1.132 57.440 56.287 0.035 0.000 0.952 254 K CB 0.047 32.573 32.500 0.044 0.000 0.729 254 K HN 0.220 nan 8.250 nan 0.000 0.446 255 G N 1.040 109.846 108.800 0.009 0.000 2.144 255 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.218 255 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.218 255 G C 0.165 175.069 174.900 0.007 0.000 0.988 255 G CA 0.356 45.459 45.100 0.005 0.000 0.659 255 G HN 0.393 nan 8.290 nan 0.000 0.522 256 D N 0.551 120.956 120.400 0.010 0.000 2.310 256 D HA -0.050 4.590 4.640 -0.001 0.000 0.212 256 D C 2.517 178.810 176.300 -0.012 0.000 0.965 256 D CA 1.744 55.748 54.000 0.008 0.000 0.879 256 D CB -0.106 40.706 40.800 0.020 0.000 0.921 256 D HN 0.685 nan 8.370 nan 0.000 0.510 257 T N -2.069 112.468 114.554 -0.029 0.000 3.081 257 T HA 0.330 4.679 4.350 -0.001 0.000 0.250 257 T C 0.985 175.651 174.700 -0.057 0.000 1.100 257 T CA -0.148 61.917 62.100 -0.059 0.000 1.038 257 T CB 0.135 68.953 68.868 -0.083 0.000 0.962 257 T HN 0.056 nan 8.240 nan 0.000 0.516 258 A N 1.507 124.318 122.820 -0.015 0.000 2.565 258 A HA 0.520 4.840 4.320 -0.001 0.000 0.237 258 A C -0.251 177.357 177.584 0.041 0.000 1.053 258 A CA -0.221 51.839 52.037 0.037 0.000 0.755 258 A CB -0.203 18.842 19.000 0.075 0.000 0.980 258 A HN 0.565 nan 8.150 nan 0.000 0.506 259 L N 2.928 124.196 121.223 0.075 0.000 2.438 259 L HA 0.557 4.896 4.340 -0.001 0.000 0.270 259 L C -0.665 176.267 176.870 0.102 0.000 0.972 259 L CA -0.566 54.312 54.840 0.063 0.000 0.831 259 L CB 1.460 43.521 42.059 0.003 0.000 1.273 259 L HN 0.660 nan 8.230 nan 0.000 0.405 260 F N 3.907 123.821 119.950 -0.059 0.000 2.578 260 F HA 0.383 4.909 4.527 -0.001 0.000 0.381 260 F C 0.045 175.733 175.800 -0.187 0.000 1.069 260 F CA 0.780 58.712 58.000 -0.114 0.000 1.231 260 F CB 0.416 39.362 39.000 -0.090 0.000 1.086 260 F HN 0.575 nan 8.300 nan 0.000 0.564 261 T N 5.457 119.457 114.554 -0.924 0.000 2.861 261 T HA 0.219 4.569 4.350 -0.001 0.000 0.287 261 T C -1.585 172.479 174.700 -1.060 0.000 1.003 261 T CA -0.480 61.138 62.100 -0.805 0.000 0.977 261 T CB 0.987 69.425 68.868 -0.717 0.000 0.996 261 T HN 0.616 nan 8.240 nan 0.000 0.448 262 H N 2.670 121.423 119.070 -0.528 0.000 2.551 262 H HA 0.632 5.188 4.556 -0.001 0.000 0.321 262 H C -0.515 174.625 175.328 -0.313 0.000 1.028 262 H CA -0.774 55.087 56.048 -0.311 0.000 1.215 262 H CB 0.790 30.602 29.762 0.084 0.000 1.414 262 H HN 0.490 nan 8.280 nan 0.000 0.480 263 M N 6.793 126.044 119.600 -0.583 0.000 2.180 263 M HA 0.312 4.791 4.480 -0.001 0.000 0.350 263 M C -0.977 175.071 176.300 -0.419 0.000 1.125 263 M CA -0.677 54.367 55.300 -0.428 0.000 1.031 263 M CB 0.810 33.213 32.600 -0.329 0.000 1.623 263 M HN 0.703 nan 8.290 nan 0.000 0.451 264 M N 7.053 126.501 119.600 -0.253 0.000 2.248 264 M HA 0.163 4.643 4.480 -0.001 0.000 0.337 264 M C -1.495 174.668 176.300 -0.229 0.000 1.121 264 M CA -1.022 54.174 55.300 -0.173 0.000 1.155 264 M CB 0.458 32.973 32.600 -0.142 0.000 1.514 264 M HN 0.485 nan 8.290 nan 0.000 0.452 265 P HA 0.055 nan 4.420 nan 0.000 0.239 265 P C -0.304 176.777 177.300 -0.365 0.000 1.188 265 P CA 0.954 63.748 63.100 -0.510 0.000 0.794 265 P CB 0.276 31.420 31.700 -0.926 0.000 0.937 266 F N -2.256 117.696 119.950 0.004 0.000 2.525 266 F HA 0.277 4.804 4.527 -0.001 0.000 0.346 266 F C 2.222 178.108 175.800 0.143 0.000 1.072 266 F CA -1.341 56.702 58.000 0.072 0.000 1.033 266 F CB 0.085 39.069 39.000 -0.027 0.000 1.324 266 F HN -0.299 nan 8.300 nan 0.000 0.491 267 Y N 0.553 121.011 120.300 0.263 0.000 2.256 267 Y HA -0.065 4.485 4.550 -0.001 0.000 0.288 267 Y C 0.952 176.762 175.900 -0.150 0.000 1.155 267 Y CA 1.383 59.484 58.100 0.003 0.000 1.203 267 Y CB -0.079 38.279 38.460 -0.169 0.000 0.980 267 Y HN 0.359 nan 8.280 nan 0.000 0.530 268 S N -2.149 113.387 115.700 -0.272 0.000 2.638 268 S HA 0.276 4.745 4.470 -0.001 0.000 0.274 268 S C -0.372 174.141 174.600 -0.146 0.000 1.157 268 S CA -0.311 57.629 58.200 -0.433 0.000 0.826 268 S CB 0.288 63.145 63.200 -0.571 0.000 1.139 268 S HN 0.272 nan 8.310 nan 0.000 0.474 269 Y N 0.690 120.951 120.300 -0.066 0.000 2.466 269 Y HA 0.332 4.881 4.550 -0.001 0.000 0.272 269 Y C 0.366 176.352 175.900 0.144 0.000 1.169 269 Y CA -0.589 57.500 58.100 -0.019 0.000 1.285 269 Y CB -1.093 37.265 38.460 -0.170 0.000 1.078 269 Y HN 0.537 nan 8.280 nan 0.000 0.523 270 D N 0.670 121.079 120.400 0.015 0.000 2.371 270 D HA -0.007 4.632 4.640 -0.001 0.000 0.242 270 D C 1.282 177.715 176.300 0.220 0.000 1.218 270 D CA -0.409 53.697 54.000 0.176 0.000 0.945 270 D CB 0.841 41.702 40.800 0.101 0.000 1.137 270 D HN 0.239 nan 8.370 nan 0.000 0.464 271 I N -0.262 120.414 120.570 0.177 0.000 2.208 271 I HA -0.165 4.004 4.170 -0.001 0.000 0.245 271 I C -0.749 175.403 176.117 0.058 0.000 1.097 271 I CA 0.950 62.336 61.300 0.143 0.000 1.363 271 I CB -1.248 36.821 38.000 0.115 0.000 1.051 271 I HN 0.335 nan 8.210 nan 0.000 0.413 272 P HA -0.152 nan 4.420 nan 0.000 0.221 272 P C 0.887 177.865 177.300 -0.537 0.000 1.145 272 P CA 1.470 64.382 63.100 -0.312 0.000 0.795 272 P CB -0.061 31.457 31.700 -0.303 0.000 0.775 273 H N -2.440 116.621 119.070 -0.015 0.000 2.486 273 H HA 0.275 4.830 4.556 -0.001 0.000 0.284 273 H C 0.763 176.186 175.328 0.159 0.000 1.103 273 H CA 0.750 56.799 56.048 0.001 0.000 1.089 273 H CB 0.085 29.915 29.762 0.114 0.000 1.603 273 H HN 0.214 nan 8.280 nan 0.000 0.557 274 T N -3.468 111.205 114.554 0.198 0.000 3.016 274 T HA -0.018 4.331 4.350 -0.001 0.000 0.271 274 T C 1.865 176.691 174.700 0.210 0.000 0.968 274 T CA 0.259 62.506 62.100 0.245 0.000 0.891 274 T CB -0.796 68.206 68.868 0.223 0.000 1.149 274 T HN 0.423 nan 8.240 nan 0.000 0.524 275 c N 1.364 120.059 118.600 0.157 0.000 2.551 275 c HA 0.739 5.308 4.570 -0.001 0.000 0.277 275 c C 1.292 175.498 174.090 0.193 0.000 1.349 275 c CA 0.540 56.999 56.329 0.216 0.000 1.750 275 c CB -0.836 41.766 42.510 0.152 0.000 2.058 275 c HN 0.824 nan 8.230 nan 0.000 0.518 276 G N -0.240 108.577 108.800 0.029 0.000 2.340 276 G HA2 0.436 4.396 3.960 -0.001 0.000 0.299 276 G HA3 0.436 4.396 3.960 -0.001 0.000 0.299 276 G C -2.639 171.866 174.900 -0.658 0.000 1.291 276 G CA 0.283 45.340 45.100 -0.071 0.000 0.841 276 G HN -0.101 nan 8.290 nan 0.000 0.500 277 P HA 0.067 nan 4.420 nan 0.000 0.229 277 P C -0.166 176.726 177.300 -0.679 0.000 1.160 277 P CA 1.016 63.454 63.100 -1.104 0.000 0.777 277 P CB 0.410 31.771 31.700 -0.565 0.000 0.814 278 D N 0.933 121.044 120.400 -0.481 0.000 2.454 278 D HA 0.137 4.776 4.640 -0.001 0.000 0.225 278 D C -1.374 174.585 176.300 -0.569 0.000 1.081 278 D CA -2.621 51.132 54.000 -0.411 0.000 0.864 278 D CB 1.280 41.923 40.800 -0.262 0.000 1.040 278 D HN 0.016 nan 8.370 nan 0.000 0.517 279 P HA -0.172 nan 4.420 nan 0.000 0.220 279 P C 1.265 177.744 177.300 -1.368 0.000 1.148 279 P CA 0.766 63.103 63.100 -1.271 0.000 0.803 279 P CB 0.536 31.198 31.700 -1.730 0.000 0.782 280 K N 0.197 119.916 120.400 -1.135 0.000 2.147 280 K HA -0.073 4.246 4.320 -0.001 0.000 0.205 280 K C 1.827 178.232 176.600 -0.325 0.000 1.049 280 K CA 1.133 57.056 56.287 -0.606 0.000 0.936 280 K CB -0.186 32.150 32.500 -0.275 0.000 0.722 280 K HN -0.043 nan 8.250 nan 0.000 0.446 281 V N 0.184 119.915 119.914 -0.305 0.000 2.379 281 V HA -0.218 3.902 4.120 -0.001 0.000 0.243 281 V C 2.384 178.441 176.094 -0.062 0.000 1.035 281 V CA 1.254 63.471 62.300 -0.138 0.000 1.035 281 V CB -0.270 31.496 31.823 -0.094 0.000 0.673 281 V HN 0.460 nan 8.190 nan 0.000 0.457 282 c N -0.586 117.913 118.600 -0.167 0.000 2.413 282 c HA -0.220 4.349 4.570 -0.001 0.000 0.277 282 c C 2.999 177.046 174.090 -0.071 0.000 1.265 282 c CA 0.973 57.262 56.329 -0.067 0.000 1.752 282 c CB -1.449 40.935 42.510 -0.210 0.000 1.998 282 c HN 0.764 nan 8.230 nan 0.000 0.489 283 c N 0.740 119.209 118.600 -0.219 0.000 2.419 283 c HA -0.147 4.422 4.570 -0.001 0.000 0.281 283 c C 2.624 176.594 174.090 -0.201 0.000 1.336 283 c CA 1.227 57.477 56.329 -0.131 0.000 1.770 283 c CB -1.465 41.051 42.510 0.009 0.000 1.929 283 c HN 0.640 nan 8.230 nan 0.000 0.509 284 Q N -1.336 118.282 119.800 -0.302 0.000 2.500 284 Q HA -0.036 4.303 4.340 -0.001 0.000 0.213 284 Q C 0.632 175.980 176.000 -1.086 0.000 0.974 284 Q CA 1.020 56.462 55.803 -0.602 0.000 0.918 284 Q CB -0.035 28.314 28.738 -0.647 0.000 0.980 284 Q HN 0.735 nan 8.270 nan 0.000 0.505 285 F N -0.183 119.488 119.950 -0.465 0.000 2.708 285 F HA 0.166 4.693 4.527 -0.001 0.000 0.300 285 F C 0.183 175.700 175.800 -0.471 0.000 1.118 285 F CA -0.553 57.075 58.000 -0.620 0.000 1.307 285 F CB 0.762 39.632 39.000 -0.217 0.000 0.986 285 F HN -0.152 nan 8.300 nan 0.000 0.522 286 D N 0.001 120.165 120.400 -0.393 0.000 2.477 286 D HA 0.139 4.779 4.640 -0.001 0.000 0.239 286 D C 0.547 176.653 176.300 -0.323 0.000 1.102 286 D CA -0.433 53.463 54.000 -0.173 0.000 0.901 286 D CB 0.033 40.782 40.800 -0.086 0.000 1.026 286 D HN 0.087 nan 8.370 nan 0.000 0.515 287 F N 1.625 121.570 119.950 -0.008 0.000 2.722 287 F HA 0.043 4.569 4.527 -0.001 0.000 0.298 287 F C 2.339 178.058 175.800 -0.135 0.000 1.175 287 F CA 0.416 58.381 58.000 -0.059 0.000 1.462 287 F CB 0.050 39.039 39.000 -0.017 0.000 1.111 287 F HN 0.256 nan 8.300 nan 0.000 0.592 288 K N 0.850 121.149 120.400 -0.168 0.000 2.444 288 K HA 0.072 4.392 4.320 -0.001 0.000 0.193 288 K C 0.613 177.112 176.600 -0.168 0.000 1.024 288 K CA 0.108 56.116 56.287 -0.466 0.000 1.077 288 K CB 0.175 32.283 32.500 -0.652 0.000 0.833 288 K HN 0.159 nan 8.250 nan 0.000 0.517 289 R N 0.697 121.159 120.500 -0.064 0.000 4.306 289 R HA 0.212 4.552 4.340 -0.001 0.000 0.266 289 R C 0.545 176.872 176.300 0.044 0.000 1.624 289 R CA -0.135 55.968 56.100 0.005 0.000 1.487 289 R CB 0.247 30.531 30.300 -0.026 0.000 1.441 289 R HN 0.189 nan 8.270 nan 0.000 0.750 290 M N -1.253 118.428 119.600 0.135 0.000 2.379 290 M HA 0.185 4.665 4.480 -0.001 0.000 0.265 290 M C 1.074 177.425 176.300 0.085 0.000 1.095 290 M CA 0.527 55.890 55.300 0.106 0.000 1.075 290 M CB 1.256 33.939 32.600 0.138 0.000 1.443 290 M HN 0.652 nan 8.290 nan 0.000 0.519 291 G N 0.032 108.897 108.800 0.108 0.000 3.753 291 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.196 291 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.196 291 G C 0.924 175.831 174.900 0.012 0.000 1.538 291 G CA 0.301 45.430 45.100 0.048 0.000 1.040 291 G HN 0.365 nan 8.290 nan 0.000 0.427 292 S N 0.432 116.097 115.700 -0.058 0.000 2.442 292 S HA 0.128 4.598 4.470 -0.001 0.000 0.236 292 S C 1.824 176.242 174.600 -0.303 0.000 1.007 292 S CA 1.720 59.788 58.200 -0.221 0.000 0.965 292 S CB -0.454 62.525 63.200 -0.368 0.000 0.773 292 S HN 0.407 nan 8.310 nan 0.000 0.504 293 F N 1.764 121.712 119.950 -0.004 0.000 2.765 293 F HA 0.407 4.934 4.527 -0.001 0.000 0.302 293 F C 1.889 177.689 175.800 -0.001 0.000 1.111 293 F CA 0.066 58.063 58.000 -0.005 0.000 1.359 293 F CB -0.129 38.864 39.000 -0.011 0.000 1.097 293 F HN 0.368 nan 8.300 nan 0.000 0.577 294 G N 1.446 110.324 108.800 0.130 0.000 2.176 294 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.252 294 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.252 294 G C -0.208 174.747 174.900 0.092 0.000 1.024 294 G CA 0.043 45.193 45.100 0.084 0.000 0.755 294 G HN 0.313 nan 8.290 nan 0.000 0.507 295 L N 0.001 121.292 121.223 0.112 0.000 2.354 295 L HA 0.850 5.190 4.340 -0.001 0.000 0.264 295 L C 0.431 177.335 176.870 0.057 0.000 1.008 295 L CA -0.372 54.515 54.840 0.078 0.000 0.819 295 L CB 2.417 44.518 42.059 0.070 0.000 1.339 295 L HN 0.461 nan 8.230 nan 0.000 0.420 296 S N -0.494 115.227 115.700 0.034 0.000 2.705 296 S HA 0.551 5.020 4.470 -0.001 0.000 0.280 296 S C -1.272 173.341 174.600 0.022 0.000 1.174 296 S CA -0.794 57.418 58.200 0.020 0.000 0.823 296 S CB 1.695 64.899 63.200 0.006 0.000 1.162 296 S HN 0.520 nan 8.310 nan 0.000 0.487 297 c N 3.113 121.729 118.600 0.027 0.000 2.255 297 c HA 0.553 5.122 4.570 -0.001 0.000 0.326 297 c C -0.896 173.191 174.090 -0.006 0.000 1.258 297 c CA -1.208 55.174 56.329 0.088 0.000 1.676 297 c CB 0.877 43.472 42.510 0.140 0.000 2.314 297 c HN 0.778 nan 8.230 nan 0.000 0.509 298 P HA -0.102 nan 4.420 nan 0.000 0.225 298 P C 1.044 178.083 177.300 -0.436 0.000 1.148 298 P CA 1.259 64.107 63.100 -0.421 0.000 0.779 298 P CB 0.105 31.387 31.700 -0.697 0.000 0.780 299 W N 0.733 122.009 121.300 -0.041 0.000 3.180 299 W HA 0.161 4.821 4.660 -0.001 0.000 0.254 299 W C 0.852 177.342 176.519 -0.048 0.000 1.318 299 W CA 0.183 57.499 57.345 -0.048 0.000 1.608 299 W CB -0.454 28.967 29.460 -0.064 0.000 1.124 299 W HN 0.163 nan 8.180 nan 0.000 0.694 300 K N -1.254 119.195 120.400 0.082 0.000 3.553 300 K HA -0.195 4.124 4.320 -0.001 0.000 0.303 300 K C 0.033 176.653 176.600 0.033 0.000 1.327 300 K CA 1.138 57.447 56.287 0.037 0.000 0.983 300 K CB -2.131 30.383 32.500 0.022 0.000 1.275 300 K HN 0.049 nan 8.250 nan 0.000 0.453 301 V N -0.646 119.299 119.914 0.051 0.000 2.334 301 V HA 0.533 4.653 4.120 -0.001 0.000 0.281 301 V C -2.069 174.006 176.094 -0.033 0.000 1.016 301 V CA -1.921 60.377 62.300 -0.003 0.000 0.832 301 V CB 1.191 33.002 31.823 -0.020 0.000 0.999 301 V HN -0.089 nan 8.190 nan 0.000 0.439 302 P HA 0.411 nan 4.420 nan 0.000 0.276 302 P C -2.698 174.509 177.300 -0.156 0.000 1.244 302 P CA -1.685 61.369 63.100 -0.077 0.000 0.801 302 P CB 0.708 32.380 31.700 -0.046 0.000 1.006 303 P HA 0.257 nan 4.420 nan 0.000 0.274 303 P C -0.478 176.710 177.300 -0.186 0.000 1.231 303 P CA -0.024 62.863 63.100 -0.356 0.000 0.790 303 P CB 0.972 32.377 31.700 -0.490 0.000 0.951 304 R N 0.454 120.850 120.500 -0.173 0.000 2.534 304 R HA 0.364 4.703 4.340 -0.001 0.000 0.301 304 R C -0.137 176.223 176.300 0.100 0.000 0.961 304 R CA -0.580 55.498 56.100 -0.037 0.000 0.871 304 R CB 1.363 31.618 30.300 -0.076 0.000 1.170 304 R HN 0.393 nan 8.270 nan 0.000 0.446 305 T N 4.373 118.986 114.554 0.099 0.000 2.905 305 T HA 0.024 4.373 4.350 -0.001 0.000 0.299 305 T C 0.814 175.515 174.700 0.002 0.000 1.024 305 T CA 0.127 62.265 62.100 0.064 0.000 1.151 305 T CB 0.129 69.008 68.868 0.019 0.000 0.987 305 T HN 0.208 nan 8.240 nan 0.000 0.535 306 I N 3.973 124.499 120.570 -0.073 0.000 2.588 306 I HA 0.241 4.411 4.170 -0.001 0.000 0.283 306 I C 0.997 177.066 176.117 -0.080 0.000 1.119 306 I CA 0.117 61.367 61.300 -0.083 0.000 1.419 306 I CB 0.199 38.107 38.000 -0.152 0.000 1.394 306 I HN 0.787 nan 8.210 nan 0.000 0.562 307 S N 3.183 118.845 115.700 -0.062 0.000 2.651 307 S HA 0.425 4.894 4.470 -0.001 0.000 0.279 307 S C 0.196 174.760 174.600 -0.059 0.000 1.148 307 S CA -0.776 57.393 58.200 -0.052 0.000 0.837 307 S CB 1.969 65.147 63.200 -0.037 0.000 1.138 307 S HN 0.480 nan 8.310 nan 0.000 0.478 308 D N 0.742 121.115 120.400 -0.044 0.000 2.221 308 D HA -0.108 4.532 4.640 -0.001 0.000 0.204 308 D C 1.739 178.007 176.300 -0.054 0.000 0.982 308 D CA 1.515 55.488 54.000 -0.044 0.000 0.857 308 D CB -0.112 40.679 40.800 -0.015 0.000 0.934 308 D HN 0.730 nan 8.370 nan 0.000 0.475 309 Q N 0.400 120.174 119.800 -0.042 0.000 2.245 309 Q HA -0.120 4.219 4.340 -0.001 0.000 0.201 309 Q C 0.787 176.759 176.000 -0.045 0.000 0.955 309 Q CA 1.227 57.008 55.803 -0.036 0.000 0.870 309 Q CB 0.166 28.889 28.738 -0.024 0.000 0.945 309 Q HN 0.320 nan 8.270 nan 0.000 0.461 310 N N -1.428 117.238 118.700 -0.057 0.000 2.159 310 N HA -0.055 4.684 4.740 -0.001 0.000 0.217 310 N C 1.211 176.674 175.510 -0.079 0.000 1.223 310 N CA 0.364 53.382 53.050 -0.054 0.000 0.896 310 N CB -0.033 38.431 38.487 -0.038 0.000 1.064 310 N HN 0.040 nan 8.380 nan 0.000 0.518 311 V N 0.557 120.388 119.914 -0.139 0.000 2.392 311 V HA -0.154 3.965 4.120 -0.001 0.000 0.249 311 V C 2.251 178.156 176.094 -0.314 0.000 1.059 311 V CA 2.192 64.362 62.300 -0.217 0.000 1.051 311 V CB -0.889 30.762 31.823 -0.286 0.000 0.658 311 V HN 0.456 nan 8.190 nan 0.000 0.455 312 A N -0.248 122.354 122.820 -0.364 0.000 1.877 312 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 312 A C 2.425 180.068 177.584 0.098 0.000 1.186 312 A CA 2.220 54.189 52.037 -0.114 0.000 0.620 312 A CB -1.025 17.983 19.000 0.014 0.000 0.822 312 A HN 0.813 nan 8.150 nan 0.000 0.443 313 A N -0.596 122.246 122.820 0.036 0.000 1.898 313 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 313 A C 2.231 179.859 177.584 0.073 0.000 1.181 313 A CA 1.296 53.369 52.037 0.060 0.000 0.620 313 A CB -0.418 18.597 19.000 0.025 0.000 0.819 313 A HN 0.410 nan 8.150 nan 0.000 0.442 314 R N 0.155 120.691 120.500 0.059 0.000 2.081 314 R HA -0.056 4.284 4.340 -0.001 0.000 0.235 314 R C 2.392 178.742 176.300 0.083 0.000 1.131 314 R CA 1.572 57.758 56.100 0.143 0.000 0.960 314 R CB -0.991 29.397 30.300 0.145 0.000 0.856 314 R HN 0.530 nan 8.270 nan 0.000 0.436 315 S N 1.187 116.892 115.700 0.008 0.000 2.368 315 S HA -0.153 4.317 4.470 -0.001 0.000 0.224 315 S C 1.528 176.006 174.600 -0.202 0.000 1.029 315 S CA 1.476 59.584 58.200 -0.152 0.000 0.988 315 S CB -0.295 62.960 63.200 0.092 0.000 0.838 315 S HN 0.316 nan 8.310 nan 0.000 0.462 316 D N 1.283 121.765 120.400 0.136 0.000 2.123 316 D HA -0.063 4.576 4.640 -0.001 0.000 0.196 316 D C 1.816 178.128 176.300 0.022 0.000 0.992 316 D CA 0.932 55.069 54.000 0.229 0.000 0.833 316 D CB -0.200 40.763 40.800 0.272 0.000 0.954 316 D HN 0.267 nan 8.370 nan 0.000 0.455 317 L N -0.393 120.820 121.223 -0.018 0.000 2.027 317 L HA -0.120 4.219 4.340 -0.001 0.000 0.206 317 L C 2.332 179.046 176.870 -0.260 0.000 1.074 317 L CA 0.509 55.320 54.840 -0.048 0.000 0.745 317 L CB -0.326 41.778 42.059 0.074 0.000 0.898 317 L HN 0.195 nan 8.230 nan 0.000 0.433 318 L N -0.731 120.159 121.223 -0.555 0.000 2.027 318 L HA -0.143 4.196 4.340 -0.001 0.000 0.206 318 L C 2.349 178.540 176.870 -1.131 0.000 1.074 318 L CA 1.602 55.776 54.840 -1.111 0.000 0.745 318 L CB -0.391 40.668 42.059 -1.667 0.000 0.898 318 L HN -0.080 nan 8.230 nan 0.000 0.433 319 V N -0.002 119.348 119.914 -0.939 0.000 2.392 319 V HA -0.317 3.802 4.120 -0.001 0.000 0.249 319 V C 2.310 178.230 176.094 -0.290 0.000 1.059 319 V CA 1.940 63.841 62.300 -0.666 0.000 1.051 319 V CB -0.808 30.587 31.823 -0.714 0.000 0.658 319 V HN 0.599 nan 8.190 nan 0.000 0.455 320 D N -0.831 119.461 120.400 -0.181 0.000 2.117 320 D HA -0.202 4.438 4.640 -0.001 0.000 0.197 320 D C 2.239 178.526 176.300 -0.020 0.000 0.987 320 D CA 1.161 55.175 54.000 0.023 0.000 0.829 320 D CB -0.005 40.857 40.800 0.103 0.000 0.961 320 D HN 0.298 nan 8.370 nan 0.000 0.460 321 Q N -0.554 119.163 119.800 -0.138 0.000 2.079 321 Q HA -0.125 4.215 4.340 -0.001 0.000 0.200 321 Q C 2.131 178.154 176.000 0.038 0.000 0.974 321 Q CA 0.925 56.673 55.803 -0.092 0.000 0.840 321 Q CB -0.546 28.078 28.738 -0.191 0.000 0.898 321 Q HN 0.546 nan 8.270 nan 0.000 0.430 322 W N 1.567 122.763 121.300 -0.174 0.000 2.335 322 W HA -0.107 4.553 4.660 -0.001 0.000 0.311 322 W C 2.069 178.469 176.519 -0.199 0.000 1.213 322 W CA 0.773 58.011 57.345 -0.178 0.000 1.274 322 W CB -0.685 28.638 29.460 -0.228 0.000 1.148 322 W HN 0.209 nan 8.180 nan 0.000 0.498 323 K N 0.141 120.501 120.400 -0.068 0.000 2.211 323 K HA -0.142 4.178 4.320 -0.001 0.000 0.203 323 K C 1.926 178.370 176.600 -0.259 0.000 1.050 323 K CA 1.197 57.282 56.287 -0.337 0.000 0.945 323 K CB -0.202 31.791 32.500 -0.844 0.000 0.732 323 K HN 0.112 nan 8.250 nan 0.000 0.451 324 K N 0.915 121.268 120.400 -0.078 0.000 2.062 324 K HA -0.123 4.196 4.320 -0.001 0.000 0.205 324 K C 2.107 178.779 176.600 0.121 0.000 1.051 324 K CA 1.041 57.406 56.287 0.129 0.000 0.941 324 K CB 0.015 32.607 32.500 0.154 0.000 0.719 324 K HN 0.008 nan 8.250 nan 0.000 0.440 325 K N 0.952 121.425 120.400 0.121 0.000 2.057 325 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 325 K C 2.023 178.743 176.600 0.199 0.000 1.049 325 K CA 1.249 57.634 56.287 0.163 0.000 0.931 325 K CB -0.089 32.524 32.500 0.188 0.000 0.714 325 K HN 0.123 nan 8.250 nan 0.000 0.440 326 A N 1.213 124.128 122.820 0.158 0.000 2.070 326 A HA -0.140 4.179 4.320 -0.001 0.000 0.220 326 A C 1.713 179.465 177.584 0.280 0.000 1.159 326 A CA 1.337 53.504 52.037 0.215 0.000 0.656 326 A CB -0.328 18.740 19.000 0.113 0.000 0.800 326 A HN 0.318 nan 8.150 nan 0.000 0.453 327 E N -0.011 120.330 120.200 0.235 0.000 2.268 327 E HA -0.082 4.267 4.350 -0.001 0.000 0.195 327 E C 1.607 178.337 176.600 0.216 0.000 0.995 327 E CA 0.648 57.200 56.400 0.253 0.000 0.836 327 E CB -0.216 29.660 29.700 0.292 0.000 0.763 327 E HN 0.730 nan 8.360 nan 0.000 0.491 328 L N -0.581 120.728 121.223 0.144 0.000 2.558 328 L HA 0.043 4.382 4.340 -0.001 0.000 0.225 328 L C 0.296 176.958 176.870 -0.346 0.000 1.128 328 L CA 0.248 55.043 54.840 -0.075 0.000 0.868 328 L CB -0.100 41.804 42.059 -0.258 0.000 1.006 328 L HN -0.007 nan 8.230 nan 0.000 0.454 329 Y N -1.435 118.952 120.300 0.144 0.000 2.630 329 Y HA 0.378 4.928 4.550 -0.001 0.000 0.337 329 Y C 1.215 177.232 175.900 0.195 0.000 1.051 329 Y CA -0.985 57.221 58.100 0.176 0.000 1.121 329 Y CB 1.087 39.664 38.460 0.195 0.000 1.299 329 Y HN -0.272 nan 8.280 nan 0.000 0.498 330 R N -0.555 120.181 120.500 0.394 0.000 2.254 330 R HA 0.082 4.421 4.340 -0.001 0.000 0.195 330 R C 0.328 176.757 176.300 0.214 0.000 0.957 330 R CA 0.776 57.020 56.100 0.240 0.000 1.024 330 R CB 0.159 30.534 30.300 0.125 0.000 0.952 330 R HN 0.746 nan 8.270 nan 0.000 0.484 331 T N -0.829 113.897 114.554 0.287 0.000 2.922 331 T HA 0.112 4.462 4.350 -0.001 0.000 0.281 331 T C 0.623 175.473 174.700 0.250 0.000 1.005 331 T CA -0.958 61.276 62.100 0.225 0.000 0.982 331 T CB 1.260 70.240 68.868 0.186 0.000 1.158 331 T HN 0.082 nan 8.240 nan 0.000 0.566 332 N N 0.096 118.917 118.700 0.202 0.000 2.327 332 N HA 0.136 4.875 4.740 -0.001 0.000 0.231 332 N C -0.718 174.804 175.510 0.020 0.000 1.130 332 N CA -0.357 52.804 53.050 0.185 0.000 0.845 332 N CB -0.042 38.472 38.487 0.046 0.000 1.073 332 N HN 0.371 nan 8.380 nan 0.000 0.496 333 V N 1.397 121.344 119.914 0.055 0.000 2.409 333 V HA 0.406 4.525 4.120 -0.001 0.000 0.291 333 V C -0.595 175.589 176.094 0.150 0.000 1.020 333 V CA -0.956 61.374 62.300 0.049 0.000 0.848 333 V CB 1.526 33.351 31.823 0.004 0.000 0.990 333 V HN 0.177 nan 8.190 nan 0.000 0.430 334 L N 5.819 127.064 121.223 0.036 0.000 2.341 334 L HA 0.693 5.032 4.340 -0.001 0.000 0.278 334 L C -0.827 175.898 176.870 -0.243 0.000 1.005 334 L CA -0.476 54.303 54.840 -0.102 0.000 0.818 334 L CB 1.671 43.570 42.059 -0.266 0.000 1.259 334 L HN 0.637 nan 8.230 nan 0.000 0.418 335 L N 6.408 127.270 121.223 -0.601 0.000 2.264 335 L HA 0.569 4.908 4.340 -0.001 0.000 0.289 335 L C -1.093 175.480 176.870 -0.496 0.000 1.044 335 L CA 0.140 54.469 54.840 -0.851 0.000 0.807 335 L CB 0.772 41.818 42.059 -1.688 0.000 1.192 335 L HN 0.438 nan 8.230 nan 0.000 0.425 336 I N 7.390 127.755 120.570 -0.342 0.000 2.537 336 I HA 0.351 4.520 4.170 -0.001 0.000 0.276 336 I C -2.309 173.787 176.117 -0.035 0.000 1.063 336 I CA -1.991 59.202 61.300 -0.178 0.000 1.144 336 I CB 1.106 38.969 38.000 -0.227 0.000 1.252 336 I HN 0.436 nan 8.210 nan 0.000 0.480 337 P HA 0.185 nan 4.420 nan 0.000 0.271 337 P C -0.465 177.014 177.300 0.297 0.000 1.218 337 P CA -0.276 62.962 63.100 0.230 0.000 0.780 337 P CB 0.889 32.773 31.700 0.307 0.000 0.901 338 L N 2.864 124.296 121.223 0.347 0.000 2.462 338 L HA 0.755 5.094 4.340 -0.001 0.000 0.255 338 L C -0.144 176.782 176.870 0.095 0.000 1.076 338 L CA 0.371 55.336 54.840 0.208 0.000 0.920 338 L CB 0.420 42.538 42.059 0.100 0.000 1.214 338 L HN 0.605 nan 8.230 nan 0.000 0.472 339 G N 1.558 110.297 108.800 -0.101 0.000 2.430 339 G HA2 0.492 4.451 3.960 -0.001 0.000 0.300 339 G HA3 0.492 4.451 3.960 -0.001 0.000 0.300 339 G C -2.178 172.632 174.900 -0.150 0.000 1.330 339 G CA -0.257 44.557 45.100 -0.477 0.000 0.813 339 G HN 0.358 nan 8.290 nan 0.000 0.487 340 D N -1.723 118.651 120.400 -0.045 0.000 2.865 340 D HA 0.303 4.943 4.640 -0.001 0.000 0.343 340 D C -1.445 174.999 176.300 0.239 0.000 1.372 340 D CA -0.440 53.704 54.000 0.240 0.000 0.862 340 D CB 1.406 42.297 40.800 0.151 0.000 1.425 340 D HN 0.217 nan 8.370 nan 0.000 0.501 341 D N 0.430 121.023 120.400 0.323 0.000 2.450 341 D HA 0.179 4.818 4.640 -0.001 0.000 0.247 341 D C 0.184 176.650 176.300 0.277 0.000 1.162 341 D CA 0.541 54.714 54.000 0.288 0.000 0.879 341 D CB -0.347 40.711 40.800 0.430 0.000 1.163 341 D HN 0.334 nan 8.370 nan 0.000 0.472 342 F N 0.304 120.311 119.950 0.096 0.000 3.019 342 F HA -0.316 4.211 4.527 -0.001 0.000 0.259 342 F C 1.180 177.027 175.800 0.078 0.000 0.976 342 F CA 0.609 58.650 58.000 0.068 0.000 0.876 342 F CB -0.850 38.180 39.000 0.050 0.000 0.784 342 F HN 0.208 nan 8.300 nan 0.000 0.786 343 R N -0.426 120.168 120.500 0.157 0.000 2.580 343 R HA 0.481 4.821 4.340 -0.001 0.000 0.267 343 R C 0.676 177.003 176.300 0.045 0.000 1.125 343 R CA -0.882 55.202 56.100 -0.026 0.000 1.188 343 R CB -0.056 30.125 30.300 -0.198 0.000 1.155 343 R HN 0.236 nan 8.270 nan 0.000 0.586 344 F N -0.529 119.249 119.950 -0.287 0.000 3.039 344 F HA -0.290 4.236 4.527 -0.001 0.000 0.287 344 F C 1.351 177.106 175.800 -0.075 0.000 0.956 344 F CA 1.046 58.664 58.000 -0.637 0.000 0.971 344 F CB -0.848 37.473 39.000 -1.130 0.000 0.943 344 F HN 0.590 nan 8.300 nan 0.000 0.766 345 K N 0.163 120.629 120.400 0.109 0.000 2.161 345 K HA 0.106 4.425 4.320 -0.001 0.000 0.205 345 K C 0.666 177.435 176.600 0.283 0.000 1.035 345 K CA 0.476 56.913 56.287 0.249 0.000 0.970 345 K CB 0.243 32.856 32.500 0.188 0.000 0.866 345 K HN 0.420 nan 8.250 nan 0.000 0.461 346 Q N 1.378 121.304 119.800 0.211 0.000 2.327 346 Q HA 0.105 4.445 4.340 -0.001 0.000 0.254 346 Q C 0.423 176.627 176.000 0.339 0.000 0.952 346 Q CA -0.465 55.486 55.803 0.247 0.000 0.884 346 Q CB 1.106 30.009 28.738 0.275 0.000 1.224 346 Q HN 0.249 nan 8.270 nan 0.000 0.422 347 N N 0.954 119.850 118.700 0.327 0.000 2.104 347 N HA -0.166 4.574 4.740 -0.001 0.000 0.190 347 N C 1.720 177.403 175.510 0.289 0.000 1.024 347 N CA 2.096 55.388 53.050 0.404 0.000 0.853 347 N CB -0.313 38.392 38.487 0.363 0.000 1.008 347 N HN 0.740 nan 8.380 nan 0.000 0.424 348 T N -1.002 113.711 114.554 0.266 0.000 2.833 348 T HA -0.140 4.210 4.350 -0.001 0.000 0.269 348 T C 1.714 176.597 174.700 0.306 0.000 1.054 348 T CA 1.250 63.516 62.100 0.277 0.000 1.135 348 T CB -0.160 68.862 68.868 0.256 0.000 0.869 348 T HN 0.352 nan 8.240 nan 0.000 0.466 349 E N -0.222 120.113 120.200 0.226 0.000 2.072 349 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 349 E C 1.829 178.324 176.600 -0.176 0.000 0.985 349 E CA 0.803 57.111 56.400 -0.154 0.000 0.801 349 E CB -0.272 29.197 29.700 -0.386 0.000 0.750 349 E HN 0.715 nan 8.360 nan 0.000 0.452 350 W N 1.799 122.985 121.300 -0.189 0.000 2.338 350 W HA -0.175 4.484 4.660 -0.001 0.000 0.304 350 W C 2.108 178.526 176.519 -0.169 0.000 1.212 350 W CA 1.256 58.450 57.345 -0.251 0.000 1.264 350 W CB -0.195 28.722 29.460 -0.905 0.000 1.142 350 W HN 0.180 nan 8.180 nan 0.000 0.512 351 D N -0.503 119.959 120.400 0.103 0.000 2.097 351 D HA -0.181 4.459 4.640 -0.001 0.000 0.195 351 D C 2.284 178.638 176.300 0.091 0.000 0.989 351 D CA 1.554 55.630 54.000 0.128 0.000 0.827 351 D CB -1.056 39.837 40.800 0.154 0.000 0.966 351 D HN 0.042 nan 8.370 nan 0.000 0.456 352 V N 1.052 121.016 119.914 0.083 0.000 2.407 352 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 352 V C 2.236 178.341 176.094 0.019 0.000 1.055 352 V CA 1.639 63.970 62.300 0.052 0.000 1.049 352 V CB -0.087 31.812 31.823 0.126 0.000 0.662 352 V HN 0.143 nan 8.190 nan 0.000 0.455 353 Q N -0.326 119.521 119.800 0.078 0.000 2.049 353 Q HA -0.177 4.163 4.340 -0.001 0.000 0.198 353 Q C 2.348 178.531 176.000 0.306 0.000 0.971 353 Q CA 1.908 57.855 55.803 0.241 0.000 0.833 353 Q CB -0.478 28.355 28.738 0.158 0.000 0.896 353 Q HN 0.635 nan 8.270 nan 0.000 0.434 354 R N 0.529 121.162 120.500 0.221 0.000 2.070 354 R HA -0.111 4.228 4.340 -0.001 0.000 0.233 354 R C 2.276 178.720 176.300 0.242 0.000 1.137 354 R CA 1.458 57.722 56.100 0.273 0.000 0.945 354 R CB -0.161 30.241 30.300 0.169 0.000 0.845 354 R HN 0.056 nan 8.270 nan 0.000 0.430 355 V N 2.124 122.098 119.914 0.099 0.000 2.287 355 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 355 V C 2.080 178.103 176.094 -0.119 0.000 1.053 355 V CA 2.037 64.346 62.300 0.016 0.000 1.027 355 V CB -0.672 31.147 31.823 -0.006 0.000 0.646 355 V HN 0.455 nan 8.190 nan 0.000 0.447 356 N N -0.799 117.715 118.700 -0.310 0.000 2.120 356 N HA -0.173 4.566 4.740 -0.001 0.000 0.188 356 N C 1.851 177.038 175.510 -0.538 0.000 1.024 356 N CA 1.696 54.354 53.050 -0.653 0.000 0.852 356 N CB -0.333 37.121 38.487 -1.721 0.000 1.003 356 N HN 0.541 nan 8.380 nan 0.000 0.424 357 Y N 1.849 121.942 120.300 -0.346 0.000 2.293 357 Y HA -0.056 4.494 4.550 -0.001 0.000 0.291 357 Y C 2.379 177.742 175.900 -0.896 0.000 1.137 357 Y CA 0.923 58.686 58.100 -0.562 0.000 1.202 357 Y CB -0.054 38.153 38.460 -0.422 0.000 0.990 357 Y HN 0.129 nan 8.280 nan 0.000 0.537 358 E N -0.172 119.875 120.200 -0.256 0.000 2.077 358 E HA -0.234 4.115 4.350 -0.001 0.000 0.193 358 E C 2.201 178.748 176.600 -0.089 0.000 0.989 358 E CA 1.121 57.463 56.400 -0.097 0.000 0.800 358 E CB -0.104 29.662 29.700 0.110 0.000 0.746 358 E HN 0.464 nan 8.360 nan 0.000 0.452 359 R N 0.251 120.675 120.500 -0.126 0.000 2.092 359 R HA -0.086 4.254 4.340 -0.001 0.000 0.231 359 R C 2.449 178.717 176.300 -0.053 0.000 1.119 359 R CA 0.831 56.887 56.100 -0.073 0.000 0.970 359 R CB -0.216 30.020 30.300 -0.107 0.000 0.864 359 R HN 0.162 nan 8.270 nan 0.000 0.440 360 L N -0.450 120.670 121.223 -0.170 0.000 2.056 360 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 360 L C 2.191 179.119 176.870 0.096 0.000 1.078 360 L CA 1.431 56.211 54.840 -0.099 0.000 0.749 360 L CB -0.405 41.498 42.059 -0.261 0.000 0.901 360 L HN 0.169 nan 8.230 nan 0.000 0.433 361 F N 0.023 119.979 119.950 0.011 0.000 2.102 361 F HA -0.260 4.267 4.527 -0.001 0.000 0.298 361 F C 2.712 178.514 175.800 0.003 0.000 1.105 361 F CA 1.025 59.020 58.000 -0.009 0.000 1.239 361 F CB -0.223 38.730 39.000 -0.078 0.000 0.991 361 F HN 0.167 nan 8.300 nan 0.000 0.474 362 E N -0.023 120.309 120.200 0.220 0.000 2.058 362 E HA -0.318 4.031 4.350 -0.001 0.000 0.194 362 E C 1.987 178.671 176.600 0.140 0.000 0.997 362 E CA 1.665 58.152 56.400 0.145 0.000 0.801 362 E CB -0.179 29.591 29.700 0.117 0.000 0.746 362 E HN 0.442 nan 8.360 nan 0.000 0.450 363 H N 0.295 119.411 119.070 0.077 0.000 2.276 363 H HA -0.054 4.501 4.556 -0.001 0.000 0.301 363 H C 2.069 177.474 175.328 0.128 0.000 1.073 363 H CA 2.195 58.297 56.048 0.091 0.000 1.311 363 H CB -0.276 29.537 29.762 0.085 0.000 1.379 363 H HN 0.147 nan 8.280 nan 0.000 0.494 364 I N 0.490 121.113 120.570 0.087 0.000 2.151 364 I HA -0.329 3.841 4.170 -0.001 0.000 0.243 364 I C 1.661 177.789 176.117 0.017 0.000 1.080 364 I CA 1.585 62.899 61.300 0.024 0.000 1.339 364 I CB -0.366 37.600 38.000 -0.056 0.000 1.039 364 I HN 0.371 nan 8.210 nan 0.000 0.409 365 N N 0.392 119.098 118.700 0.010 0.000 2.453 365 N HA -0.108 4.631 4.740 -0.001 0.000 0.183 365 N C 1.812 177.298 175.510 -0.041 0.000 1.041 365 N CA 1.449 54.482 53.050 -0.029 0.000 0.900 365 N CB -0.271 38.193 38.487 -0.038 0.000 0.961 365 N HN 0.437 nan 8.380 nan 0.000 0.443 366 S N -1.014 114.655 115.700 -0.052 0.000 2.517 366 S HA 0.133 4.602 4.470 -0.001 0.000 0.214 366 S C 0.602 175.135 174.600 -0.112 0.000 0.991 366 S CA -0.154 58.008 58.200 -0.063 0.000 0.906 366 S CB 0.273 63.453 63.200 -0.035 0.000 0.789 366 S HN -0.032 nan 8.310 nan 0.000 0.513 367 Q N 1.454 121.146 119.800 -0.180 0.000 2.503 367 Q HA 0.541 4.881 4.340 -0.001 0.000 0.227 367 Q C 1.018 176.831 176.000 -0.311 0.000 1.109 367 Q CA 0.133 55.759 55.803 -0.295 0.000 0.922 367 Q CB 1.038 29.457 28.738 -0.531 0.000 1.249 367 Q HN 0.462 nan 8.270 nan 0.000 0.530 368 A N 2.627 125.343 122.820 -0.173 0.000 1.948 368 A HA -0.279 4.041 4.320 -0.001 0.000 0.220 368 A C 1.608 179.117 177.584 -0.124 0.000 1.177 368 A CA 2.243 54.212 52.037 -0.112 0.000 0.636 368 A CB -0.747 18.220 19.000 -0.054 0.000 0.815 368 A HN 0.884 nan 8.150 nan 0.000 0.449 369 H N -3.330 115.662 119.070 -0.131 0.000 2.518 369 H HA -0.013 4.542 4.556 -0.001 0.000 0.292 369 H C 1.487 176.758 175.328 -0.094 0.000 1.068 369 H CA 1.539 57.497 56.048 -0.151 0.000 1.275 369 H CB -0.712 28.899 29.762 -0.251 0.000 1.375 369 H HN 0.534 nan 8.280 nan 0.000 0.563 370 F N 0.698 120.405 119.950 -0.405 0.000 2.335 370 F HA 0.019 4.545 4.527 -0.001 0.000 0.296 370 F C 0.627 176.378 175.800 -0.081 0.000 1.091 370 F CA 0.067 57.946 58.000 -0.201 0.000 1.399 370 F CB 0.153 38.978 39.000 -0.292 0.000 1.067 370 F HN 0.120 nan 8.300 nan 0.000 0.520 371 N N 0.972 119.726 118.700 0.089 0.000 2.725 371 N HA -0.163 4.577 4.740 -0.001 0.000 0.251 371 N C -1.186 174.319 175.510 -0.008 0.000 1.031 371 N CA 0.379 53.461 53.050 0.054 0.000 0.720 371 N CB -1.494 37.069 38.487 0.127 0.000 0.930 371 N HN 0.019 nan 8.380 nan 0.000 0.543 372 V N 0.543 120.438 119.914 -0.032 0.000 2.876 372 V HA 0.444 4.564 4.120 -0.001 0.000 0.312 372 V C 0.018 176.029 176.094 -0.137 0.000 1.085 372 V CA -0.667 61.563 62.300 -0.117 0.000 0.945 372 V CB 2.552 34.327 31.823 -0.080 0.000 1.017 372 V HN 0.178 nan 8.190 nan 0.000 0.428 373 Q N 2.825 122.487 119.800 -0.230 0.000 2.394 373 Q HA 0.749 5.088 4.340 -0.001 0.000 0.261 373 Q C -0.848 174.892 176.000 -0.433 0.000 1.023 373 Q CA -0.114 55.526 55.803 -0.271 0.000 0.720 373 Q CB 1.550 30.133 28.738 -0.257 0.000 1.241 373 Q HN 1.020 nan 8.270 nan 0.000 0.483 374 A N 4.051 126.599 122.820 -0.455 0.000 2.337 374 A HA 0.933 5.252 4.320 -0.001 0.000 0.329 374 A C -1.067 175.819 177.584 -1.164 0.000 1.146 374 A CA -0.443 51.144 52.037 -0.750 0.000 0.800 374 A CB 1.152 19.867 19.000 -0.475 0.000 1.220 374 A HN 0.755 nan 8.150 nan 0.000 0.472 375 Q N 1.081 120.103 119.800 -1.296 0.000 2.633 375 Q HA 0.407 4.747 4.340 -0.001 0.000 0.289 375 Q C -1.647 173.944 176.000 -0.681 0.000 0.940 375 Q CA -0.603 54.495 55.803 -1.176 0.000 0.785 375 Q CB 0.638 29.052 28.738 -0.540 0.000 1.467 375 Q HN 0.477 nan 8.270 nan 0.000 0.401 376 F N 0.239 120.118 119.950 -0.119 0.000 2.471 376 F HA 0.647 5.174 4.527 -0.001 0.000 0.353 376 F C 1.220 177.066 175.800 0.078 0.000 1.113 376 F CA 1.055 59.102 58.000 0.078 0.000 1.262 376 F CB 1.381 40.480 39.000 0.164 0.000 1.146 376 F HN 0.755 nan 8.300 nan 0.000 0.578 377 G N 0.555 109.530 108.800 0.290 0.000 2.687 377 G HA2 0.584 4.543 3.960 -0.001 0.000 0.291 377 G HA3 0.584 4.543 3.960 -0.001 0.000 0.291 377 G C -1.214 173.682 174.900 -0.007 0.000 1.420 377 G CA -0.752 44.459 45.100 0.185 0.000 0.796 377 G HN 0.647 nan 8.290 nan 0.000 0.485 378 T N -1.869 112.602 114.554 -0.137 0.000 2.938 378 T HA 0.479 4.829 4.350 -0.001 0.000 0.285 378 T C 1.258 175.800 174.700 -0.264 0.000 1.028 378 T CA -0.489 61.495 62.100 -0.195 0.000 1.005 378 T CB 1.558 70.328 68.868 -0.164 0.000 1.157 378 T HN 0.557 nan 8.240 nan 0.000 0.550 379 L N 0.556 121.624 121.223 -0.258 0.000 2.046 379 L HA 0.018 4.357 4.340 -0.001 0.000 0.208 379 L C 2.753 179.573 176.870 -0.083 0.000 1.077 379 L CA 1.992 56.708 54.840 -0.208 0.000 0.747 379 L CB -1.153 40.834 42.059 -0.120 0.000 0.896 379 L HN 0.892 nan 8.230 nan 0.000 0.432 380 Q N -0.020 119.763 119.800 -0.027 0.000 2.124 380 Q HA -0.219 4.121 4.340 -0.001 0.000 0.202 380 Q C 2.034 177.969 176.000 -0.108 0.000 0.977 380 Q CA 1.982 57.804 55.803 0.032 0.000 0.850 380 Q CB -0.167 28.563 28.738 -0.014 0.000 0.901 380 Q HN 0.654 nan 8.270 nan 0.000 0.429 381 E N -1.190 118.850 120.200 -0.267 0.000 2.110 381 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 381 E C 1.687 177.839 176.600 -0.747 0.000 0.988 381 E CA 1.140 57.257 56.400 -0.473 0.000 0.804 381 E CB -0.335 29.021 29.700 -0.574 0.000 0.745 381 E HN 0.469 nan 8.360 nan 0.000 0.458 382 Y N 0.775 120.542 120.300 -0.889 0.000 2.114 382 Y HA -0.248 4.301 4.550 -0.001 0.000 0.284 382 Y C 1.874 177.471 175.900 -0.506 0.000 1.143 382 Y CA 1.609 59.210 58.100 -0.832 0.000 1.135 382 Y CB -0.640 37.355 38.460 -0.776 0.000 0.980 382 Y HN -0.059 nan 8.280 nan 0.000 0.499 383 F N 0.655 120.343 119.950 -0.438 0.000 2.161 383 F HA -0.251 4.275 4.527 -0.001 0.000 0.300 383 F C 2.230 177.807 175.800 -0.371 0.000 1.089 383 F CA 1.316 59.043 58.000 -0.455 0.000 1.282 383 F CB -0.326 38.601 39.000 -0.122 0.000 1.010 383 F HN 0.105 nan 8.300 nan 0.000 0.485 384 D N 0.321 120.671 120.400 -0.084 0.000 2.117 384 D HA -0.173 4.467 4.640 -0.001 0.000 0.197 384 D C 2.300 178.526 176.300 -0.123 0.000 0.987 384 D CA 1.443 55.402 54.000 -0.068 0.000 0.829 384 D CB -0.575 40.173 40.800 -0.086 0.000 0.961 384 D HN 0.253 nan 8.370 nan 0.000 0.460 385 A N 0.522 123.213 122.820 -0.215 0.000 1.898 385 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 385 A C 2.539 180.005 177.584 -0.197 0.000 1.181 385 A CA 1.067 53.020 52.037 -0.139 0.000 0.620 385 A CB -0.705 18.289 19.000 -0.009 0.000 0.819 385 A HN 0.137 nan 8.150 nan 0.000 0.442 386 V N -0.082 119.581 119.914 -0.418 0.000 2.287 386 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 386 V C 2.408 178.310 176.094 -0.322 0.000 1.053 386 V CA 2.147 64.186 62.300 -0.436 0.000 1.027 386 V CB -1.034 30.334 31.823 -0.758 0.000 0.646 386 V HN 0.657 nan 8.190 nan 0.000 0.447 387 H N -0.358 118.595 119.070 -0.195 0.000 2.495 387 H HA -0.064 4.491 4.556 -0.001 0.000 0.287 387 H C 2.395 177.688 175.328 -0.058 0.000 1.033 387 H CA 1.240 57.207 56.048 -0.134 0.000 1.307 387 H CB -0.006 29.636 29.762 -0.201 0.000 1.401 387 H HN 0.560 nan 8.280 nan 0.000 0.555 388 Q N 0.124 119.938 119.800 0.024 0.000 2.119 388 Q HA -0.015 4.325 4.340 -0.001 0.000 0.201 388 Q C 2.502 178.516 176.000 0.023 0.000 0.972 388 Q CA 1.088 56.902 55.803 0.019 0.000 0.847 388 Q CB 0.106 28.843 28.738 -0.001 0.000 0.903 388 Q HN 0.389 nan 8.270 nan 0.000 0.433 389 A N 1.049 123.878 122.820 0.014 0.000 1.898 389 A HA -0.234 4.086 4.320 -0.001 0.000 0.216 389 A C 1.919 179.528 177.584 0.042 0.000 1.181 389 A CA 1.492 53.549 52.037 0.033 0.000 0.620 389 A CB -0.468 18.555 19.000 0.038 0.000 0.819 389 A HN 0.442 nan 8.150 nan 0.000 0.442 390 E N -0.045 120.196 120.200 0.069 0.000 2.051 390 E HA -0.229 4.121 4.350 -0.001 0.000 0.192 390 E C 2.184 178.822 176.600 0.063 0.000 0.991 390 E CA 1.226 57.677 56.400 0.086 0.000 0.799 390 E CB -0.161 29.700 29.700 0.268 0.000 0.748 390 E HN 0.582 nan 8.360 nan 0.000 0.449 391 R N -0.133 120.408 120.500 0.068 0.000 2.120 391 R HA -0.047 4.292 4.340 -0.001 0.000 0.234 391 R C 2.229 178.546 176.300 0.029 0.000 1.123 391 R CA 0.908 57.035 56.100 0.044 0.000 0.975 391 R CB -0.205 30.117 30.300 0.036 0.000 0.866 391 R HN 0.174 nan 8.270 nan 0.000 0.446 392 A N 0.307 123.144 122.820 0.029 0.000 2.239 392 A HA 0.117 4.437 4.320 -0.001 0.000 0.209 392 A C 1.416 179.011 177.584 0.019 0.000 1.171 392 A CA 0.873 52.924 52.037 0.025 0.000 0.768 392 A CB -0.318 18.701 19.000 0.033 0.000 0.790 392 A HN 0.462 nan 8.150 nan 0.000 0.478 393 G N -0.383 108.425 108.800 0.013 0.000 2.147 393 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.244 393 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.244 393 G C 0.607 175.500 174.900 -0.010 0.000 1.005 393 G CA 0.695 45.795 45.100 -0.001 0.000 0.713 393 G HN 1.035 nan 8.290 nan 0.000 0.515 394 Q N -1.078 118.721 119.800 -0.002 0.000 2.360 394 Q HA 0.686 5.026 4.340 -0.001 0.000 0.202 394 Q C 0.770 176.747 176.000 -0.039 0.000 0.915 394 Q CA 0.900 56.705 55.803 0.004 0.000 0.943 394 Q CB 0.583 29.360 28.738 0.065 0.000 1.064 394 Q HN 1.599 nan 8.270 nan 0.000 0.511 395 A N 0.939 123.694 122.820 -0.109 0.000 2.589 395 A HA 0.589 4.909 4.320 -0.001 0.000 0.296 395 A C -1.808 175.533 177.584 -0.405 0.000 1.062 395 A CA -0.992 50.885 52.037 -0.267 0.000 0.686 395 A CB 1.558 20.350 19.000 -0.347 0.000 1.282 395 A HN 0.261 nan 8.150 nan 0.000 0.404 396 E N 0.671 120.610 120.200 -0.436 0.000 2.248 396 E HA 0.706 5.055 4.350 -0.001 0.000 0.267 396 E C -1.419 174.950 176.600 -0.385 0.000 0.877 396 E CA -0.330 55.884 56.400 -0.310 0.000 0.759 396 E CB 1.390 31.027 29.700 -0.105 0.000 1.182 396 E HN 0.394 nan 8.360 nan 0.000 0.418 397 F N 2.576 122.630 119.950 0.174 0.000 2.450 397 F HA 0.489 5.016 4.527 -0.000 0.000 0.332 397 F C -1.718 174.184 175.800 0.169 0.000 1.093 397 F CA -2.146 55.980 58.000 0.211 0.000 1.003 397 F CB 1.359 40.564 39.000 0.342 0.000 1.151 397 F HN 0.313 nan 8.300 nan 0.000 0.474 398 P HA 0.167 nan 4.420 nan 0.000 0.274 398 P C -0.693 176.745 177.300 0.231 0.000 1.237 398 P CA -0.382 62.847 63.100 0.216 0.000 0.793 398 P CB 1.121 32.916 31.700 0.159 0.000 0.977 399 T N -0.490 114.151 114.554 0.145 0.000 2.928 399 T HA 0.696 5.046 4.350 -0.001 0.000 0.284 399 T C -0.259 174.469 174.700 0.046 0.000 1.008 399 T CA -0.814 61.364 62.100 0.131 0.000 1.057 399 T CB 1.148 70.071 68.868 0.092 0.000 1.018 399 T HN 0.496 nan 8.240 nan 0.000 0.493 400 L N 1.508 122.755 121.223 0.041 0.000 2.466 400 L HA 0.720 5.059 4.340 -0.001 0.000 0.258 400 L C -0.913 175.946 176.870 -0.017 0.000 0.973 400 L CA -0.458 54.300 54.840 -0.136 0.000 0.826 400 L CB 2.189 43.920 42.059 -0.546 0.000 1.372 400 L HN 1.113 nan 8.230 nan 0.000 0.409 401 S N 2.368 118.014 115.700 -0.089 0.000 2.595 401 S HA 1.055 5.524 4.470 -0.001 0.000 0.281 401 S C -0.394 174.143 174.600 -0.106 0.000 1.117 401 S CA 0.027 58.238 58.200 0.019 0.000 0.873 401 S CB 2.077 65.248 63.200 -0.048 0.000 1.108 401 S HN 1.752 nan 8.310 nan 0.000 0.477 402 G N 1.231 110.027 108.800 -0.007 0.000 2.331 402 G HA2 0.325 4.285 3.960 -0.001 0.000 0.402 402 G HA3 0.325 4.285 3.960 -0.001 0.000 0.402 402 G C -1.778 173.031 174.900 -0.152 0.000 1.275 402 G CA -0.010 44.984 45.100 -0.176 0.000 1.003 402 G HN 1.284 nan 8.290 nan 0.000 0.500 403 D N -1.662 118.510 120.400 -0.380 0.000 2.687 403 D HA 0.744 5.383 4.640 -0.001 0.000 0.264 403 D C -0.688 175.109 176.300 -0.838 0.000 1.091 403 D CA -1.054 52.743 54.000 -0.338 0.000 1.123 403 D CB 1.149 41.924 40.800 -0.041 0.000 1.407 403 D HN 0.429 nan 8.370 nan 0.000 0.591 404 F N -0.389 119.432 119.950 -0.214 0.000 2.597 404 F HA 0.419 4.946 4.527 -0.001 0.000 0.336 404 F C -0.842 174.821 175.800 -0.228 0.000 1.432 404 F CA -0.645 57.239 58.000 -0.194 0.000 1.120 404 F CB 0.322 39.238 39.000 -0.140 0.000 1.253 404 F HN 0.008 nan 8.300 nan 0.000 0.546 405 F N -0.655 119.487 119.950 0.319 0.000 2.563 405 F HA 0.523 5.050 4.527 -0.001 0.000 0.316 405 F C 0.428 176.486 175.800 0.429 0.000 1.076 405 F CA -1.154 57.100 58.000 0.424 0.000 0.921 405 F CB 2.092 41.333 39.000 0.402 0.000 1.209 405 F HN -0.255 nan 8.300 nan 0.000 0.462 406 T N 1.724 116.655 114.554 0.628 0.000 2.799 406 T HA 0.157 4.506 4.350 -0.001 0.000 0.286 406 T C -0.975 174.195 174.700 0.783 0.000 0.973 406 T CA -0.283 62.257 62.100 0.733 0.000 1.035 406 T CB 0.407 69.573 68.868 0.496 0.000 0.932 406 T HN 0.372 nan 8.240 nan 0.000 0.469 407 Y N 2.803 123.444 120.300 0.569 0.000 2.497 407 Y HA 0.427 4.976 4.550 -0.001 0.000 0.334 407 Y C -0.188 175.766 175.900 0.090 0.000 1.199 407 Y CA -0.967 57.297 58.100 0.274 0.000 1.425 407 Y CB 0.204 38.717 38.460 0.088 0.000 1.291 407 Y HN 0.679 nan 8.280 nan 0.000 0.562 408 A N 5.315 127.639 122.820 -0.828 0.000 2.402 408 A HA 0.322 4.641 4.320 -0.001 0.000 0.291 408 A C -0.195 176.782 177.584 -1.012 0.000 1.051 408 A CA -0.271 51.173 52.037 -0.989 0.000 0.716 408 A CB 0.615 18.737 19.000 -1.465 0.000 1.223 408 A HN 0.810 nan 8.150 nan 0.000 0.425 409 D N 1.898 121.850 120.400 -0.747 0.000 2.333 409 D HA 0.048 4.688 4.640 -0.001 0.000 0.208 409 D C 0.523 176.849 176.300 0.043 0.000 0.984 409 D CA 0.555 54.377 54.000 -0.296 0.000 0.873 409 D CB 0.189 40.933 40.800 -0.092 0.000 0.935 409 D HN 0.751 nan 8.370 nan 0.000 0.521 410 R N -1.282 119.182 120.500 -0.060 0.000 2.739 410 R HA 0.308 4.648 4.340 -0.001 0.000 0.266 410 R C 0.149 176.353 176.300 -0.161 0.000 1.044 410 R CA -0.057 55.866 56.100 -0.294 0.000 0.885 410 R CB 0.477 30.668 30.300 -0.183 0.000 1.260 410 R HN -0.000 nan 8.270 nan 0.000 0.477 411 S N 1.101 116.653 115.700 -0.247 0.000 4.106 411 S HA -0.376 4.094 4.470 -0.001 0.000 0.541 411 S C 0.658 175.348 174.600 0.149 0.000 1.846 411 S CA 1.687 59.886 58.200 -0.003 0.000 4.137 411 S CB -1.595 61.592 63.200 -0.021 0.000 0.892 411 S HN 1.073 nan 8.310 nan 0.000 0.535 412 D N 1.665 122.140 120.400 0.126 0.000 2.424 412 D HA 0.171 4.810 4.640 -0.001 0.000 0.220 412 D C -0.156 176.266 176.300 0.204 0.000 1.150 412 D CA -0.277 53.865 54.000 0.237 0.000 0.831 412 D CB -1.569 39.351 40.800 0.199 0.000 0.981 412 D HN 0.652 nan 8.370 nan 0.000 0.500 413 N N 0.980 119.706 118.700 0.044 0.000 2.739 413 N HA 0.038 4.777 4.740 -0.001 0.000 0.266 413 N C -0.916 174.630 175.510 0.060 0.000 1.168 413 N CA -0.271 52.806 53.050 0.044 0.000 1.055 413 N CB 0.093 38.587 38.487 0.013 0.000 1.393 413 N HN 0.138 nan 8.380 nan 0.000 0.514 414 Y N 0.257 120.645 120.300 0.148 0.000 2.316 414 Y HA 0.110 4.659 4.550 -0.001 0.000 0.331 414 Y C 0.117 176.218 175.900 0.336 0.000 1.083 414 Y CA -0.697 57.551 58.100 0.247 0.000 1.206 414 Y CB 0.535 39.092 38.460 0.161 0.000 1.195 414 Y HN 0.388 nan 8.280 nan 0.000 0.497 415 W N 2.519 123.944 121.300 0.209 0.000 1.496 415 W HA 0.219 4.878 4.660 -0.001 0.000 0.422 415 W C 0.798 177.357 176.519 0.067 0.000 0.638 415 W CA -0.582 56.919 57.345 0.259 0.000 2.105 415 W CB -0.609 29.114 29.460 0.438 0.000 1.639 415 W HN 0.545 nan 8.180 nan 0.000 0.304 416 S N -2.025 113.700 115.700 0.042 0.000 2.540 416 S HA 0.147 4.617 4.470 -0.001 0.000 0.218 416 S C 1.909 176.230 174.600 -0.464 0.000 0.977 416 S CA 0.283 58.128 58.200 -0.592 0.000 0.918 416 S CB 0.232 63.421 63.200 -0.019 0.000 0.806 416 S HN 0.341 nan 8.310 nan 0.000 0.496 417 G N 2.010 110.743 108.800 -0.111 0.000 2.408 417 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.217 417 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.217 417 G C 1.237 176.124 174.900 -0.022 0.000 1.150 417 G CA 0.817 45.870 45.100 -0.079 0.000 0.776 417 G HN 0.788 nan 8.290 nan 0.000 0.542 418 Y N -0.812 119.471 120.300 -0.029 0.000 2.680 418 Y HA 0.143 4.693 4.550 -0.001 0.000 0.303 418 Y C 1.894 177.928 175.900 0.223 0.000 1.166 418 Y CA 0.056 58.216 58.100 0.100 0.000 1.344 418 Y CB -0.547 38.051 38.460 0.231 0.000 1.002 418 Y HN 0.344 nan 8.280 nan 0.000 0.537 419 Y N 0.178 120.282 120.300 -0.327 0.000 2.571 419 Y HA -0.075 4.475 4.550 -0.001 0.000 0.294 419 Y C 1.422 177.274 175.900 -0.080 0.000 1.141 419 Y CA 0.568 58.490 58.100 -0.296 0.000 1.308 419 Y CB 0.265 38.590 38.460 -0.224 0.000 1.002 419 Y HN 0.269 nan 8.280 nan 0.000 0.551 420 T N -2.369 112.257 114.554 0.121 0.000 2.980 420 T HA 0.036 4.385 4.350 -0.001 0.000 0.252 420 T C 0.602 175.391 174.700 0.148 0.000 0.962 420 T CA -0.178 61.992 62.100 0.117 0.000 0.932 420 T CB 0.108 69.016 68.868 0.067 0.000 1.188 420 T HN -0.103 nan 8.240 nan 0.000 0.500 421 S N 2.590 118.374 115.700 0.141 0.000 2.642 421 S HA 0.133 4.602 4.470 -0.001 0.000 0.308 421 S C 0.434 175.170 174.600 0.226 0.000 1.255 421 S CA 0.102 58.398 58.200 0.159 0.000 1.057 421 S CB 0.029 63.310 63.200 0.135 0.000 0.785 421 S HN 0.414 nan 8.310 nan 0.000 0.500 422 R N 1.103 121.753 120.500 0.250 0.000 3.205 422 R HA -0.125 4.215 4.340 -0.001 0.000 0.249 422 R C -1.859 174.678 176.300 0.396 0.000 0.937 422 R CA 0.721 57.042 56.100 0.368 0.000 0.641 422 R CB -1.777 28.784 30.300 0.434 0.000 1.114 422 R HN 0.524 nan 8.270 nan 0.000 0.451 423 P HA -0.239 nan 4.420 nan 0.000 0.222 423 P C 1.093 178.591 177.300 0.330 0.000 1.147 423 P CA 1.060 64.370 63.100 0.350 0.000 0.790 423 P CB -0.006 31.949 31.700 0.425 0.000 0.780 424 Y N 1.524 121.898 120.300 0.122 0.000 2.145 424 Y HA -0.224 4.325 4.550 -0.001 0.000 0.286 424 Y C 2.647 178.523 175.900 -0.039 0.000 1.145 424 Y CA 1.857 59.946 58.100 -0.018 0.000 1.148 424 Y CB -0.835 37.477 38.460 -0.247 0.000 0.981 424 Y HN 0.054 nan 8.280 nan 0.000 0.507 425 H N -0.387 118.913 119.070 0.384 0.000 2.462 425 H HA -0.026 4.530 4.556 -0.001 0.000 0.292 425 H C 1.985 177.449 175.328 0.226 0.000 1.049 425 H CA 1.217 57.409 56.048 0.240 0.000 1.334 425 H CB -0.002 29.981 29.762 0.368 0.000 1.404 425 H HN 0.398 nan 8.280 nan 0.000 0.544 426 K N 0.689 121.294 120.400 0.341 0.000 2.057 426 K HA -0.136 4.183 4.320 -0.001 0.000 0.206 426 K C 2.424 179.076 176.600 0.088 0.000 1.050 426 K CA 0.952 57.388 56.287 0.249 0.000 0.935 426 K CB 0.144 32.769 32.500 0.209 0.000 0.715 426 K HN -0.015 nan 8.250 nan 0.000 0.439 427 R N 1.414 121.932 120.500 0.029 0.000 2.075 427 R HA 0.001 4.341 4.340 -0.001 0.000 0.232 427 R C 2.030 178.082 176.300 -0.415 0.000 1.126 427 R CA 1.409 57.457 56.100 -0.086 0.000 0.963 427 R CB -0.439 29.896 30.300 0.058 0.000 0.858 427 R HN 0.145 nan 8.270 nan 0.000 0.435 428 M N 0.306 119.527 119.600 -0.632 0.000 2.149 428 M HA -0.198 4.281 4.480 -0.001 0.000 0.261 428 M C 1.440 177.371 176.300 -0.616 0.000 1.064 428 M CA 2.432 57.085 55.300 -1.079 0.000 1.102 428 M CB -0.311 31.853 32.600 -0.727 0.000 1.369 428 M HN 0.304 nan 8.290 nan 0.000 0.408 429 D N -0.322 119.923 120.400 -0.257 0.000 2.123 429 D HA -0.211 4.428 4.640 -0.001 0.000 0.196 429 D C 1.892 178.103 176.300 -0.149 0.000 0.992 429 D CA 1.389 55.344 54.000 -0.076 0.000 0.833 429 D CB 0.126 41.040 40.800 0.191 0.000 0.954 429 D HN 0.226 nan 8.370 nan 0.000 0.455 430 R N 0.076 120.474 120.500 -0.171 0.000 2.115 430 R HA -0.013 4.326 4.340 -0.001 0.000 0.230 430 R C 2.402 178.586 176.300 -0.192 0.000 1.111 430 R CA 0.421 56.429 56.100 -0.154 0.000 0.976 430 R CB -0.926 29.305 30.300 -0.114 0.000 0.870 430 R HN 0.265 nan 8.270 nan 0.000 0.445 431 V N 1.438 121.137 119.914 -0.358 0.000 2.307 431 V HA -0.199 3.920 4.120 -0.001 0.000 0.245 431 V C 2.343 178.258 176.094 -0.299 0.000 1.045 431 V CA 1.410 63.480 62.300 -0.383 0.000 1.024 431 V CB -0.549 30.740 31.823 -0.890 0.000 0.651 431 V HN 0.131 nan 8.190 nan 0.000 0.449 432 L N -0.278 120.692 121.223 -0.422 0.000 2.131 432 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 432 L C 2.299 179.099 176.870 -0.117 0.000 1.092 432 L CA 2.029 56.692 54.840 -0.295 0.000 0.759 432 L CB -0.698 41.184 42.059 -0.295 0.000 0.903 432 L HN 0.348 nan 8.230 nan 0.000 0.435 433 M N -1.495 118.034 119.600 -0.118 0.000 2.082 433 M HA -0.304 4.176 4.480 -0.001 0.000 0.258 433 M C 2.428 178.693 176.300 -0.059 0.000 1.069 433 M CA 2.268 57.503 55.300 -0.108 0.000 1.102 433 M CB -0.639 31.865 32.600 -0.160 0.000 1.336 433 M HN 0.520 nan 8.290 nan 0.000 0.404 434 H N -0.885 118.146 119.070 -0.065 0.000 2.363 434 H HA -0.166 4.389 4.556 -0.001 0.000 0.301 434 H C 1.691 177.067 175.328 0.080 0.000 1.074 434 H CA 2.016 58.060 56.048 -0.005 0.000 1.354 434 H CB -0.234 29.535 29.762 0.012 0.000 1.397 434 H HN 0.459 nan 8.280 nan 0.000 0.516 435 Y N 0.487 120.665 120.300 -0.202 0.000 2.224 435 Y HA -0.175 4.374 4.550 -0.001 0.000 0.289 435 Y C 2.937 178.722 175.900 -0.192 0.000 1.146 435 Y CA 1.101 59.083 58.100 -0.198 0.000 1.182 435 Y CB -0.540 37.855 38.460 -0.107 0.000 0.983 435 Y HN 0.021 nan 8.280 nan 0.000 0.524 436 V N 0.078 119.988 119.914 -0.007 0.000 2.307 436 V HA -0.299 3.820 4.120 -0.001 0.000 0.245 436 V C 2.520 178.556 176.094 -0.098 0.000 1.045 436 V CA 2.156 64.421 62.300 -0.059 0.000 1.024 436 V CB -0.582 31.197 31.823 -0.074 0.000 0.651 436 V HN 0.307 nan 8.190 nan 0.000 0.449 437 R N 0.425 120.846 120.500 -0.132 0.000 2.083 437 R HA -0.183 4.157 4.340 -0.001 0.000 0.237 437 R C 2.257 178.490 176.300 -0.112 0.000 1.137 437 R CA 1.914 57.941 56.100 -0.121 0.000 0.951 437 R CB -0.506 29.719 30.300 -0.125 0.000 0.851 437 R HN 0.458 nan 8.270 nan 0.000 0.434 438 A N 0.666 123.360 122.820 -0.211 0.000 1.902 438 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 438 A C 2.376 179.906 177.584 -0.090 0.000 1.181 438 A CA 1.622 53.592 52.037 -0.113 0.000 0.623 438 A CB -0.749 18.101 19.000 -0.251 0.000 0.818 438 A HN 0.579 nan 8.150 nan 0.000 0.443 439 A N -0.203 122.554 122.820 -0.104 0.000 1.898 439 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 439 A C 1.944 179.477 177.584 -0.086 0.000 1.181 439 A CA 1.547 53.534 52.037 -0.083 0.000 0.620 439 A CB -0.507 18.453 19.000 -0.065 0.000 0.819 439 A HN 0.613 nan 8.150 nan 0.000 0.442 440 E N -0.991 119.158 120.200 -0.085 0.000 2.106 440 E HA -0.193 4.156 4.350 -0.001 0.000 0.192 440 E C 2.056 178.595 176.600 -0.103 0.000 0.984 440 E CA 1.323 57.667 56.400 -0.094 0.000 0.806 440 E CB -0.245 29.402 29.700 -0.089 0.000 0.750 440 E HN 0.747 nan 8.360 nan 0.000 0.458 441 M N 0.709 120.268 119.600 -0.068 0.000 2.077 441 M HA -0.140 4.339 4.480 -0.001 0.000 0.261 441 M C 2.167 178.460 176.300 -0.011 0.000 1.070 441 M CA 1.318 56.580 55.300 -0.064 0.000 1.125 441 M CB 0.038 32.694 32.600 0.093 0.000 1.339 441 M HN 0.075 nan 8.290 nan 0.000 0.409 442 L N 0.116 121.384 121.223 0.075 0.000 2.079 442 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 442 L C 2.588 179.618 176.870 0.266 0.000 1.081 442 L CA 1.718 56.663 54.840 0.176 0.000 0.752 442 L CB -0.549 41.453 42.059 -0.096 0.000 0.896 442 L HN 0.516 nan 8.230 nan 0.000 0.433 443 S N -1.097 114.674 115.700 0.119 0.000 2.528 443 S HA 0.088 4.557 4.470 -0.001 0.000 0.219 443 S C 1.941 176.715 174.600 0.290 0.000 0.985 443 S CA 0.358 58.696 58.200 0.230 0.000 0.914 443 S CB 0.072 63.200 63.200 -0.121 0.000 0.776 443 S HN 0.291 nan 8.310 nan 0.000 0.526 444 A N 0.853 123.673 122.820 -0.000 0.000 2.066 444 A HA 0.123 4.443 4.320 -0.001 0.000 0.218 444 A C 1.670 179.147 177.584 -0.177 0.000 1.157 444 A CA 0.641 52.579 52.037 -0.165 0.000 0.670 444 A CB -1.122 17.634 19.000 -0.406 0.000 0.804 444 A HN 0.749 nan 8.150 nan 0.000 0.453 445 W N -0.578 120.763 121.300 0.069 0.000 2.392 445 W HA -0.020 4.640 4.660 -0.001 0.000 0.279 445 W C 0.909 177.258 176.519 -0.284 0.000 1.225 445 W CA 1.012 58.311 57.345 -0.077 0.000 1.233 445 W CB -0.184 29.220 29.460 -0.093 0.000 1.122 445 W HN 0.383 nan 8.180 nan 0.000 0.561 446 H N -2.263 116.879 119.070 0.120 0.000 2.771 446 H HA 0.390 4.946 4.556 -0.001 0.000 0.367 446 H C -0.443 174.794 175.328 -0.153 0.000 1.172 446 H CA -0.939 55.018 56.048 -0.153 0.000 1.186 446 H CB 1.711 31.139 29.762 -0.556 0.000 1.790 446 H HN -0.432 nan 8.280 nan 0.000 0.556 447 S N 0.828 116.483 115.700 -0.076 0.000 2.508 447 S HA 0.339 4.808 4.470 -0.001 0.000 0.284 447 S C -1.377 173.142 174.600 -0.134 0.000 1.192 447 S CA -0.686 57.509 58.200 -0.008 0.000 1.070 447 S CB 0.175 63.371 63.200 -0.007 0.000 1.004 447 S HN 0.411 nan 8.310 nan 0.000 0.493 448 W N 2.456 123.763 121.300 0.012 0.000 2.606 448 W HA 0.374 5.033 4.660 -0.001 0.000 0.332 448 W C 0.211 176.694 176.519 -0.061 0.000 1.052 448 W CA -0.777 56.550 57.345 -0.029 0.000 1.223 448 W CB 0.621 30.027 29.460 -0.090 0.000 1.383 448 W HN 0.571 nan 8.180 nan 0.000 0.524 449 D N 1.025 121.514 120.400 0.147 0.000 2.414 449 D HA 0.013 4.652 4.640 -0.001 0.000 0.242 449 D C 1.458 177.759 176.300 0.002 0.000 1.129 449 D CA 0.713 54.759 54.000 0.076 0.000 0.885 449 D CB 1.715 42.594 40.800 0.131 0.000 1.198 449 D HN 0.671 nan 8.370 nan 0.000 0.437 450 G N 3.363 112.174 108.800 0.018 0.000 2.499 450 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.221 450 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.221 450 G C 1.593 176.467 174.900 -0.043 0.000 1.109 450 G CA 0.468 45.564 45.100 -0.007 0.000 0.749 450 G HN 0.569 nan 8.290 nan 0.000 0.568 451 M N 0.625 120.207 119.600 -0.029 0.000 2.374 451 M HA 0.050 4.530 4.480 -0.001 0.000 0.264 451 M C 2.846 179.051 176.300 -0.158 0.000 1.067 451 M CA 1.005 56.312 55.300 0.011 0.000 1.103 451 M CB -0.035 32.685 32.600 0.200 0.000 1.402 451 M HN 0.311 nan 8.290 nan 0.000 0.444 452 A N 0.153 122.616 122.820 -0.595 0.000 2.119 452 A HA -0.043 4.277 4.320 -0.001 0.000 0.217 452 A C 1.192 178.572 177.584 -0.341 0.000 1.153 452 A CA 0.497 51.993 52.037 -0.901 0.000 0.692 452 A CB -0.346 17.992 19.000 -1.103 0.000 0.799 452 A HN 0.563 nan 8.150 nan 0.000 0.458 453 R N -1.719 118.654 120.500 -0.211 0.000 3.641 453 R HA -0.182 4.157 4.340 -0.001 0.000 0.286 453 R C 0.663 176.860 176.300 -0.173 0.000 1.153 453 R CA 0.676 56.697 56.100 -0.131 0.000 0.775 453 R CB -2.042 28.214 30.300 -0.072 0.000 1.215 453 R HN 0.477 nan 8.270 nan 0.000 0.474 454 I N 0.519 120.937 120.570 -0.253 0.000 2.163 454 I HA -0.199 3.971 4.170 -0.001 0.000 0.240 454 I C 2.158 178.157 176.117 -0.197 0.000 1.081 454 I CA 1.698 62.803 61.300 -0.324 0.000 1.353 454 I CB -0.721 36.947 38.000 -0.554 0.000 1.054 454 I HN 0.206 nan 8.210 nan 0.000 0.407 455 E N 0.717 120.838 120.200 -0.131 0.000 2.085 455 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 455 E C 2.109 178.666 176.600 -0.071 0.000 0.994 455 E CA 1.304 57.655 56.400 -0.082 0.000 0.801 455 E CB -0.244 29.431 29.700 -0.041 0.000 0.743 455 E HN 0.469 nan 8.360 nan 0.000 0.453 456 E N 0.318 120.478 120.200 -0.067 0.000 2.038 456 E HA -0.257 4.093 4.350 -0.001 0.000 0.195 456 E C 1.965 178.529 176.600 -0.060 0.000 1.000 456 E CA 1.116 57.486 56.400 -0.051 0.000 0.803 456 E CB 0.094 29.768 29.700 -0.043 0.000 0.750 456 E HN -0.027 nan 8.360 nan 0.000 0.448 457 R N 0.305 120.758 120.500 -0.078 0.000 2.096 457 R HA -0.033 4.306 4.340 -0.001 0.000 0.235 457 R C 2.376 178.628 176.300 -0.080 0.000 1.127 457 R CA 0.915 56.971 56.100 -0.075 0.000 0.968 457 R CB -0.535 29.713 30.300 -0.087 0.000 0.861 457 R HN 0.285 nan 8.270 nan 0.000 0.440 458 L N -0.155 121.009 121.223 -0.097 0.000 2.093 458 L HA -0.105 4.235 4.340 -0.001 0.000 0.208 458 L C 2.354 179.167 176.870 -0.094 0.000 1.085 458 L CA 1.351 56.133 54.840 -0.096 0.000 0.755 458 L CB -0.397 41.599 42.059 -0.106 0.000 0.904 458 L HN 0.296 nan 8.230 nan 0.000 0.435 459 E N 0.143 120.292 120.200 -0.086 0.000 2.077 459 E HA -0.297 4.053 4.350 -0.001 0.000 0.193 459 E C 2.207 178.737 176.600 -0.117 0.000 0.989 459 E CA 1.256 57.597 56.400 -0.097 0.000 0.800 459 E CB 0.021 29.685 29.700 -0.059 0.000 0.746 459 E HN 0.419 nan 8.360 nan 0.000 0.452 460 Q N 0.061 119.811 119.800 -0.083 0.000 2.030 460 Q HA -0.223 4.116 4.340 -0.001 0.000 0.204 460 Q C 2.118 178.067 176.000 -0.085 0.000 0.986 460 Q CA 1.716 57.476 55.803 -0.071 0.000 0.843 460 Q CB -0.256 28.455 28.738 -0.045 0.000 0.904 460 Q HN 0.347 nan 8.270 nan 0.000 0.420 461 A N 1.142 123.914 122.820 -0.081 0.000 1.883 461 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 461 A C 2.107 179.626 177.584 -0.107 0.000 1.186 461 A CA 1.618 53.607 52.037 -0.080 0.000 0.624 461 A CB -0.585 18.376 19.000 -0.065 0.000 0.822 461 A HN 0.391 nan 8.150 nan 0.000 0.444 462 R N -0.854 119.564 120.500 -0.137 0.000 2.081 462 R HA -0.099 4.240 4.340 -0.001 0.000 0.235 462 R C 2.461 178.604 176.300 -0.261 0.000 1.131 462 R CA 1.592 57.586 56.100 -0.177 0.000 0.960 462 R CB -0.288 29.898 30.300 -0.190 0.000 0.856 462 R HN 0.507 nan 8.270 nan 0.000 0.436 463 R N 0.285 120.594 120.500 -0.318 0.000 2.090 463 R HA -0.070 4.270 4.340 -0.001 0.000 0.228 463 R C 2.068 178.283 176.300 -0.142 0.000 1.110 463 R CA 0.923 56.759 56.100 -0.440 0.000 0.973 463 R CB 0.003 30.063 30.300 -0.400 0.000 0.869 463 R HN 0.214 nan 8.270 nan 0.000 0.440 464 E N 0.799 120.958 120.200 -0.069 0.000 2.107 464 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 464 E C 1.986 178.607 176.600 0.034 0.000 0.982 464 E CA 0.735 57.140 56.400 0.009 0.000 0.809 464 E CB -0.174 29.522 29.700 -0.007 0.000 0.756 464 E HN 0.157 nan 8.360 nan 0.000 0.459 465 L N 1.151 122.364 121.223 -0.018 0.000 2.056 465 L HA -0.049 4.290 4.340 -0.001 0.000 0.207 465 L C 2.165 179.071 176.870 0.060 0.000 1.078 465 L CA 1.533 56.381 54.840 0.013 0.000 0.749 465 L CB -0.519 41.514 42.059 -0.043 0.000 0.901 465 L HN -0.112 nan 8.230 nan 0.000 0.433 466 S N -0.345 115.354 115.700 -0.002 0.000 2.368 466 S HA -0.174 4.295 4.470 -0.001 0.000 0.225 466 S C 1.841 176.569 174.600 0.214 0.000 1.030 466 S CA 1.568 59.798 58.200 0.049 0.000 0.999 466 S CB -0.581 62.538 63.200 -0.134 0.000 0.844 466 S HN 0.469 nan 8.310 nan 0.000 0.459 467 L N 0.704 122.094 121.223 0.278 0.000 2.042 467 L HA -0.022 4.318 4.340 -0.001 0.000 0.210 467 L C 1.855 178.825 176.870 0.167 0.000 1.076 467 L CA 1.639 56.645 54.840 0.276 0.000 0.749 467 L CB -0.633 41.559 42.059 0.222 0.000 0.893 467 L HN 0.284 nan 8.230 nan 0.000 0.432 468 F N -0.248 119.667 119.950 -0.060 0.000 2.451 468 F HA -0.131 4.396 4.527 -0.001 0.000 0.299 468 F C 2.170 177.887 175.800 -0.138 0.000 1.101 468 F CA 0.870 58.727 58.000 -0.238 0.000 1.436 468 F CB -0.225 38.669 39.000 -0.177 0.000 1.074 468 F HN 0.259 nan 8.300 nan 0.000 0.553 469 Q N -0.404 119.364 119.800 -0.052 0.000 2.436 469 Q HA -0.139 4.200 4.340 -0.001 0.000 0.209 469 Q C 0.755 176.703 176.000 -0.086 0.000 0.965 469 Q CA 0.405 56.157 55.803 -0.085 0.000 0.910 469 Q CB -1.210 27.546 28.738 0.030 0.000 0.980 469 Q HN 0.564 nan 8.270 nan 0.000 0.491 470 H N 1.877 120.837 119.070 -0.184 0.000 2.998 470 H HA -0.096 4.459 4.556 -0.001 0.000 0.353 470 H C 1.007 176.191 175.328 -0.240 0.000 1.099 470 H CA 0.345 56.285 56.048 -0.181 0.000 1.393 470 H CB 0.696 30.361 29.762 -0.161 0.000 1.343 470 H HN 0.322 nan 8.280 nan 0.000 0.609 471 H N 2.734 121.426 119.070 -0.630 0.000 2.562 471 H HA -0.024 4.532 4.556 -0.001 0.000 0.272 471 H C -0.270 174.675 175.328 -0.638 0.000 1.019 471 H CA 0.369 56.007 56.048 -0.684 0.000 1.160 471 H CB 0.229 29.562 29.762 -0.715 0.000 1.334 471 H HN 0.587 nan 8.280 nan 0.000 0.611 472 D N 0.062 119.873 120.400 -0.981 0.000 2.520 472 D HA 0.126 4.765 4.640 -0.001 0.000 0.223 472 D C 1.658 177.936 176.300 -0.037 0.000 1.186 472 D CA 0.327 54.205 54.000 -0.205 0.000 0.821 472 D CB 0.847 41.737 40.800 0.150 0.000 1.072 472 D HN 0.507 nan 8.370 nan 0.000 0.518 473 G N 1.246 109.810 108.800 -0.394 0.000 2.618 473 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.222 473 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.222 473 G C 1.351 175.637 174.900 -1.024 0.000 1.520 473 G CA -0.172 44.437 45.100 -0.819 0.000 0.930 473 G HN 0.201 nan 8.290 nan 0.000 0.547 474 I N 2.018 121.697 120.570 -1.486 0.000 2.530 474 I HA -0.180 3.989 4.170 -0.001 0.000 0.257 474 I C 2.859 178.873 176.117 -0.172 0.000 1.179 474 I CA 2.056 62.798 61.300 -0.929 0.000 1.440 474 I CB -0.043 37.611 38.000 -0.578 0.000 1.087 474 I HN 0.382 nan 8.210 nan 0.000 0.440 475 T N -1.710 112.796 114.554 -0.079 0.000 2.962 475 T HA 0.029 4.379 4.350 -0.001 0.000 0.270 475 T C 1.550 176.400 174.700 0.250 0.000 1.088 475 T CA 0.629 62.879 62.100 0.249 0.000 1.127 475 T CB -0.518 68.503 68.868 0.255 0.000 0.883 475 T HN 0.631 nan 8.240 nan 0.000 0.493 476 G N 1.524 110.421 108.800 0.161 0.000 2.198 476 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.257 476 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.257 476 G C 0.527 175.498 174.900 0.119 0.000 1.042 476 G CA 0.623 45.840 45.100 0.194 0.000 0.791 476 G HN 1.146 nan 8.290 nan 0.000 0.502 477 T N -3.439 111.177 114.554 0.104 0.000 3.215 477 T HA 0.738 5.087 4.350 -0.001 0.000 0.271 477 T C 0.849 175.723 174.700 0.289 0.000 1.012 477 T CA 1.004 63.092 62.100 -0.020 0.000 0.899 477 T CB 0.992 69.680 68.868 -0.300 0.000 1.089 477 T HN 1.573 nan 8.240 nan 0.000 0.552 478 A N 1.331 124.332 122.820 0.302 0.000 2.281 478 A HA 0.709 5.028 4.320 -0.001 0.000 0.329 478 A C 0.120 177.768 177.584 0.106 0.000 1.122 478 A CA -0.994 51.232 52.037 0.315 0.000 0.850 478 A CB 0.928 20.168 19.000 0.400 0.000 1.207 478 A HN 0.419 nan 8.150 nan 0.000 0.495 479 K N -0.107 120.280 120.400 -0.021 0.000 2.276 479 K HA 0.178 4.497 4.320 -0.001 0.000 0.259 479 K C 1.058 177.656 176.600 -0.003 0.000 1.001 479 K CA 0.294 56.565 56.287 -0.027 0.000 0.927 479 K CB 0.311 32.790 32.500 -0.035 0.000 0.969 479 K HN 0.718 nan 8.250 nan 0.000 0.490 480 T N 1.365 115.950 114.554 0.051 0.000 2.624 480 T HA -0.219 4.130 4.350 -0.001 0.000 0.268 480 T C 1.703 176.433 174.700 0.051 0.000 1.041 480 T CA 1.938 64.075 62.100 0.061 0.000 1.159 480 T CB -0.457 68.456 68.868 0.074 0.000 0.863 480 T HN 0.709 nan 8.240 nan 0.000 0.434 481 H N 0.599 119.655 119.070 -0.023 0.000 2.491 481 H HA 0.087 4.642 4.556 -0.001 0.000 0.290 481 H C 2.011 177.302 175.328 -0.061 0.000 1.050 481 H CA 0.920 56.947 56.048 -0.035 0.000 1.309 481 H CB -0.756 28.981 29.762 -0.041 0.000 1.392 481 H HN 0.287 nan 8.280 nan 0.000 0.554 482 V N 1.083 120.623 119.914 -0.624 0.000 2.488 482 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 482 V C 3.012 178.897 176.094 -0.348 0.000 1.046 482 V CA 1.049 63.007 62.300 -0.571 0.000 1.053 482 V CB -0.403 31.148 31.823 -0.455 0.000 0.679 482 V HN 0.233 nan 8.190 nan 0.000 0.458 483 V N 0.002 119.851 119.914 -0.109 0.000 2.392 483 V HA -0.225 3.895 4.120 -0.001 0.000 0.249 483 V C 2.456 178.513 176.094 -0.062 0.000 1.059 483 V CA 1.886 64.187 62.300 0.000 0.000 1.051 483 V CB -0.433 31.365 31.823 -0.042 0.000 0.658 483 V HN 0.417 nan 8.190 nan 0.000 0.455 484 V N 0.369 120.257 119.914 -0.043 0.000 2.343 484 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 484 V C 2.300 178.397 176.094 0.005 0.000 1.051 484 V CA 2.388 64.696 62.300 0.013 0.000 1.036 484 V CB -0.663 31.181 31.823 0.034 0.000 0.654 484 V HN 0.640 nan 8.190 nan 0.000 0.451 485 D N -0.911 119.444 120.400 -0.075 0.000 2.117 485 D HA -0.202 4.438 4.640 -0.001 0.000 0.197 485 D C 2.010 178.309 176.300 -0.002 0.000 0.987 485 D CA 1.631 55.586 54.000 -0.075 0.000 0.829 485 D CB -0.252 40.440 40.800 -0.180 0.000 0.961 485 D HN 0.589 nan 8.370 nan 0.000 0.460 486 Y N 0.456 120.780 120.300 0.039 0.000 2.181 486 Y HA -0.140 4.409 4.550 -0.001 0.000 0.288 486 Y C 2.582 178.438 175.900 -0.073 0.000 1.146 486 Y CA 1.138 59.256 58.100 0.030 0.000 1.164 486 Y CB -0.111 38.436 38.460 0.146 0.000 0.982 486 Y HN 0.085 nan 8.280 nan 0.000 0.515 487 E N 0.460 120.738 120.200 0.129 0.000 2.051 487 E HA -0.264 4.085 4.350 -0.001 0.000 0.192 487 E C 2.021 178.687 176.600 0.110 0.000 0.991 487 E CA 1.336 57.831 56.400 0.158 0.000 0.799 487 E CB -0.050 29.831 29.700 0.301 0.000 0.748 487 E HN 0.565 nan 8.360 nan 0.000 0.449 488 Q N -0.044 119.809 119.800 0.089 0.000 2.084 488 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 488 Q C 2.338 178.368 176.000 0.050 0.000 0.978 488 Q CA 1.473 57.316 55.803 0.066 0.000 0.844 488 Q CB -0.090 28.679 28.738 0.052 0.000 0.898 488 Q HN 0.189 nan 8.270 nan 0.000 0.426 489 R N 0.053 120.586 120.500 0.055 0.000 2.073 489 R HA -0.077 4.263 4.340 -0.001 0.000 0.234 489 R C 2.265 178.571 176.300 0.010 0.000 1.134 489 R CA 1.492 57.618 56.100 0.044 0.000 0.952 489 R CB -0.177 30.173 30.300 0.083 0.000 0.850 489 R HN 0.293 nan 8.270 nan 0.000 0.433 490 M N 0.005 119.596 119.600 -0.016 0.000 2.296 490 M HA -0.164 4.316 4.480 -0.001 0.000 0.265 490 M C 2.271 178.538 176.300 -0.055 0.000 1.064 490 M CA 1.297 56.548 55.300 -0.081 0.000 1.109 490 M CB -0.076 32.411 32.600 -0.188 0.000 1.396 490 M HN 0.055 nan 8.290 nan 0.000 0.430 491 Q N 1.180 120.983 119.800 0.006 0.000 2.079 491 Q HA -0.156 4.183 4.340 -0.001 0.000 0.200 491 Q C 1.473 177.479 176.000 0.010 0.000 0.974 491 Q CA 1.798 57.619 55.803 0.031 0.000 0.840 491 Q CB -0.074 28.706 28.738 0.069 0.000 0.898 491 Q HN 0.524 nan 8.270 nan 0.000 0.430 492 E N -0.434 119.772 120.200 0.009 0.000 2.106 492 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 492 E C 1.860 178.454 176.600 -0.010 0.000 0.984 492 E CA 0.849 57.252 56.400 0.005 0.000 0.806 492 E CB -0.203 29.502 29.700 0.008 0.000 0.750 492 E HN 0.475 nan 8.360 nan 0.000 0.458 493 A N 1.269 124.073 122.820 -0.027 0.000 1.898 493 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 493 A C 2.190 179.750 177.584 -0.039 0.000 1.181 493 A CA 0.920 52.932 52.037 -0.042 0.000 0.620 493 A CB -0.551 18.411 19.000 -0.064 0.000 0.819 493 A HN 0.119 nan 8.150 nan 0.000 0.442 494 L N -0.636 120.547 121.223 -0.067 0.000 2.046 494 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 494 L C 2.581 179.478 176.870 0.045 0.000 1.077 494 L CA 1.706 56.499 54.840 -0.078 0.000 0.747 494 L CB -0.407 41.537 42.059 -0.193 0.000 0.896 494 L HN 0.358 nan 8.230 nan 0.000 0.432 495 K N -0.055 120.363 120.400 0.030 0.000 2.097 495 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 495 K C 2.225 178.848 176.600 0.038 0.000 1.049 495 K CA 1.318 57.632 56.287 0.045 0.000 0.933 495 K CB -0.263 32.253 32.500 0.026 0.000 0.717 495 K HN 0.285 nan 8.250 nan 0.000 0.442 496 A N 1.114 123.944 122.820 0.017 0.000 1.902 496 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 496 A C 2.420 180.008 177.584 0.007 0.000 1.181 496 A CA 1.437 53.473 52.037 -0.002 0.000 0.623 496 A CB -0.961 18.026 19.000 -0.022 0.000 0.818 496 A HN 0.401 nan 8.150 nan 0.000 0.443 497 C N -1.034 118.291 119.300 0.042 0.000 2.429 497 C HA -0.117 4.343 4.460 -0.001 0.000 0.277 497 C C 2.863 177.903 174.990 0.084 0.000 1.262 497 C CA 1.267 60.324 59.018 0.066 0.000 1.733 497 C CB -1.231 26.606 27.740 0.162 0.000 2.010 497 C HN 0.786 nan 8.230 nan 0.000 0.483 498 Q N 0.225 120.107 119.800 0.136 0.000 2.096 498 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 498 Q C 2.167 178.231 176.000 0.107 0.000 0.982 498 Q CA 2.006 57.887 55.803 0.130 0.000 0.850 498 Q CB -0.269 28.554 28.738 0.142 0.000 0.901 498 Q HN 0.589 nan 8.270 nan 0.000 0.422 499 M N -0.085 119.552 119.600 0.061 0.000 2.080 499 M HA -0.146 4.334 4.480 -0.001 0.000 0.260 499 M C 1.874 178.181 176.300 0.012 0.000 1.068 499 M CA 1.598 56.921 55.300 0.039 0.000 1.109 499 M CB -0.525 32.081 32.600 0.008 0.000 1.342 499 M HN 0.130 nan 8.290 nan 0.000 0.405 500 V N 0.286 120.173 119.914 -0.046 0.000 2.295 500 V HA -0.315 3.804 4.120 -0.001 0.000 0.246 500 V C 2.441 178.480 176.094 -0.091 0.000 1.049 500 V CA 2.268 64.481 62.300 -0.145 0.000 1.024 500 V CB -0.723 30.996 31.823 -0.174 0.000 0.648 500 V HN 0.566 nan 8.190 nan 0.000 0.447 501 M N 0.258 119.858 119.600 -0.001 0.000 2.065 501 M HA -0.286 4.194 4.480 -0.001 0.000 0.259 501 M C 2.413 178.738 176.300 0.040 0.000 1.069 501 M CA 2.555 57.886 55.300 0.053 0.000 1.110 501 M CB -0.571 32.150 32.600 0.201 0.000 1.328 501 M HN 0.552 nan 8.290 nan 0.000 0.405 502 Q N -0.108 119.802 119.800 0.185 0.000 2.119 502 Q HA -0.162 4.177 4.340 -0.001 0.000 0.201 502 Q C 1.840 177.982 176.000 0.236 0.000 0.972 502 Q CA 1.277 57.202 55.803 0.204 0.000 0.847 502 Q CB -0.609 28.353 28.738 0.373 0.000 0.903 502 Q HN 0.421 nan 8.270 nan 0.000 0.433 503 Q N 0.505 120.436 119.800 0.218 0.000 2.124 503 Q HA -0.051 4.288 4.340 -0.001 0.000 0.202 503 Q C 2.305 178.527 176.000 0.370 0.000 0.977 503 Q CA 1.695 57.700 55.803 0.337 0.000 0.850 503 Q CB -0.210 28.638 28.738 0.184 0.000 0.901 503 Q HN 0.523 nan 8.270 nan 0.000 0.429 504 S N 0.343 116.145 115.700 0.170 0.000 2.368 504 S HA -0.092 4.377 4.470 -0.001 0.000 0.225 504 S C 2.201 176.824 174.600 0.037 0.000 1.030 504 S CA 1.095 59.441 58.200 0.243 0.000 0.999 504 S CB -0.246 63.027 63.200 0.122 0.000 0.844 504 S HN 0.133 nan 8.310 nan 0.000 0.459 505 V N 0.714 120.518 119.914 -0.183 0.000 2.343 505 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 505 V C 1.999 178.040 176.094 -0.089 0.000 1.051 505 V CA 1.810 63.876 62.300 -0.390 0.000 1.036 505 V CB -0.754 30.421 31.823 -1.081 0.000 0.654 505 V HN 0.515 nan 8.190 nan 0.000 0.451 506 Y N 1.123 121.434 120.300 0.020 0.000 2.181 506 Y HA -0.239 4.311 4.550 -0.001 0.000 0.288 506 Y C 2.762 178.718 175.900 0.094 0.000 1.146 506 Y CA 2.202 60.420 58.100 0.196 0.000 1.164 506 Y CB -0.311 38.187 38.460 0.064 0.000 0.982 506 Y HN 0.093 nan 8.280 nan 0.000 0.515 507 R N -0.217 120.234 120.500 -0.081 0.000 2.092 507 R HA -0.102 4.238 4.340 -0.001 0.000 0.231 507 R C 2.129 178.089 176.300 -0.567 0.000 1.119 507 R CA 1.511 57.191 56.100 -0.701 0.000 0.970 507 R CB -0.378 29.465 30.300 -0.761 0.000 0.864 507 R HN 0.427 nan 8.270 nan 0.000 0.440 508 L N 0.336 121.361 121.223 -0.330 0.000 2.291 508 L HA -0.064 4.275 4.340 -0.001 0.000 0.214 508 L C 1.350 178.072 176.870 -0.246 0.000 1.120 508 L CA 0.777 55.390 54.840 -0.377 0.000 0.799 508 L CB 0.118 41.797 42.059 -0.632 0.000 0.925 508 L HN 0.238 nan 8.230 nan 0.000 0.446 509 L N -1.243 119.937 121.223 -0.071 0.000 3.066 509 L HA 0.228 4.568 4.340 -0.001 0.000 0.265 509 L C -0.229 176.680 176.870 0.065 0.000 1.232 509 L CA -0.108 54.776 54.840 0.075 0.000 1.031 509 L CB 0.484 42.741 42.059 0.331 0.000 1.379 509 L HN -0.018 nan 8.230 nan 0.000 0.563 510 T N 0.070 114.581 114.554 -0.071 0.000 2.841 510 T HA 0.188 4.538 4.350 -0.001 0.000 0.283 510 T C -0.162 174.453 174.700 -0.142 0.000 1.000 510 T CA -0.575 61.463 62.100 -0.104 0.000 0.977 510 T CB 2.438 71.177 68.868 -0.216 0.000 0.979 510 T HN 0.023 nan 8.240 nan 0.000 0.446 511 K N 3.911 124.242 120.400 -0.115 0.000 2.491 511 K HA -0.007 4.312 4.320 -0.001 0.000 0.279 511 K C -1.740 174.828 176.600 -0.054 0.000 1.026 511 K CA -1.077 55.158 56.287 -0.086 0.000 1.070 511 K CB 0.427 32.883 32.500 -0.073 0.000 0.887 511 K HN 0.169 nan 8.250 nan 0.000 0.481 512 P HA -0.251 nan 4.420 nan 0.000 0.216 512 P C 0.852 178.168 177.300 0.028 0.000 1.157 512 P CA 1.821 64.902 63.100 -0.032 0.000 0.880 512 P CB 0.115 31.791 31.700 -0.041 0.000 0.791 513 S N -2.216 113.489 115.700 0.009 0.000 2.555 513 S HA 0.004 4.473 4.470 -0.001 0.000 0.230 513 S C 1.696 176.309 174.600 0.022 0.000 0.978 513 S CA 0.695 58.904 58.200 0.015 0.000 0.934 513 S CB -1.131 62.070 63.200 0.000 0.000 0.766 513 S HN 0.121 nan 8.310 nan 0.000 0.533 514 I N -1.012 119.577 120.570 0.032 0.000 3.616 514 I HA 0.202 4.372 4.170 -0.001 0.000 0.296 514 I C 0.526 176.685 176.117 0.069 0.000 1.226 514 I CA -0.419 60.904 61.300 0.038 0.000 1.394 514 I CB -0.075 37.941 38.000 0.026 0.000 1.171 514 I HN 0.235 nan 8.210 nan 0.000 0.442 515 Y N 3.096 123.348 120.300 -0.081 0.000 2.852 515 Y HA -0.087 4.463 4.550 -0.001 0.000 0.343 515 Y C 0.475 176.355 175.900 -0.033 0.000 1.280 515 Y CA 0.088 58.118 58.100 -0.117 0.000 1.604 515 Y CB 0.265 38.615 38.460 -0.183 0.000 1.216 515 Y HN -0.101 nan 8.280 nan 0.000 0.541 516 S N 8.971 124.475 115.700 -0.328 0.000 2.279 516 S HA 0.368 4.837 4.470 -0.001 0.000 0.176 516 S C -2.805 171.595 174.600 -0.333 0.000 1.554 516 S CA -1.248 56.760 58.200 -0.319 0.000 1.242 516 S CB -0.033 63.100 63.200 -0.112 0.000 1.163 516 S HN 0.660 nan 8.310 nan 0.000 0.449 517 P HA 0.320 nan 4.420 nan 0.000 0.275 517 P C -1.193 175.854 177.300 -0.422 0.000 1.227 517 P CA -0.149 62.699 63.100 -0.421 0.000 0.781 517 P CB 0.876 32.237 31.700 -0.564 0.000 0.906 518 D N 2.607 122.954 120.400 -0.088 0.000 2.461 518 D HA 0.151 4.790 4.640 -0.001 0.000 0.240 518 D C 0.305 176.629 176.300 0.039 0.000 1.094 518 D CA -0.717 53.208 54.000 -0.127 0.000 0.868 518 D CB 0.186 40.933 40.800 -0.088 0.000 1.062 518 D HN 0.037 nan 8.370 nan 0.000 0.530 519 F N 1.652 121.712 119.950 0.183 0.000 2.664 519 F HA -0.066 4.461 4.527 -0.001 0.000 0.297 519 F C 2.332 178.202 175.800 0.115 0.000 1.164 519 F CA 0.567 58.674 58.000 0.177 0.000 1.472 519 F CB -0.486 38.602 39.000 0.148 0.000 1.108 519 F HN 0.341 nan 8.300 nan 0.000 0.596 520 S N -2.202 113.634 115.700 0.226 0.000 2.540 520 S HA 0.149 4.618 4.470 -0.001 0.000 0.222 520 S C 0.287 174.932 174.600 0.074 0.000 1.008 520 S CA -0.435 57.843 58.200 0.131 0.000 0.939 520 S CB -0.538 62.721 63.200 0.098 0.000 0.865 520 S HN 0.070 nan 8.310 nan 0.000 0.499 521 F N 3.197 123.069 119.950 -0.130 0.000 2.389 521 F HA 0.596 5.123 4.527 -0.001 0.000 0.337 521 F C -0.018 175.547 175.800 -0.393 0.000 1.112 521 F CA -0.621 57.171 58.000 -0.346 0.000 1.192 521 F CB 1.462 40.091 39.000 -0.618 0.000 1.185 521 F HN -0.033 nan 8.300 nan 0.000 0.552 522 S N 6.161 121.106 115.700 -1.259 0.000 2.464 522 S HA 0.164 4.633 4.470 -0.001 0.000 0.313 522 S C 0.347 174.273 174.600 -1.124 0.000 1.078 522 S CA -0.337 57.354 58.200 -0.848 0.000 1.096 522 S CB -0.164 62.686 63.200 -0.583 0.000 1.032 522 S HN 0.672 nan 8.310 nan 0.000 0.498 523 Y N 1.559 121.547 120.300 -0.519 0.000 2.373 523 Y HA 0.171 4.720 4.550 -0.001 0.000 0.293 523 Y C 0.312 175.660 175.900 -0.921 0.000 1.129 523 Y CA 0.694 58.376 58.100 -0.696 0.000 1.226 523 Y CB 0.176 38.265 38.460 -0.619 0.000 1.000 523 Y HN 0.490 nan 8.280 nan 0.000 0.549 524 F N -1.819 118.063 119.950 -0.114 0.000 2.599 524 F HA 0.459 4.985 4.527 -0.001 0.000 0.311 524 F C -0.229 175.594 175.800 0.038 0.000 1.076 524 F CA -1.284 56.728 58.000 0.021 0.000 0.937 524 F CB 1.757 40.909 39.000 0.253 0.000 1.282 524 F HN -0.521 nan 8.300 nan 0.000 0.460 525 T N 3.147 117.860 114.554 0.266 0.000 2.807 525 T HA 0.518 4.868 4.350 -0.001 0.000 0.279 525 T C -0.309 174.494 174.700 0.171 0.000 0.993 525 T CA -0.565 61.625 62.100 0.149 0.000 0.970 525 T CB 1.001 69.911 68.868 0.070 0.000 0.950 525 T HN 0.330 nan 8.240 nan 0.000 0.441 526 L N 2.778 124.039 121.223 0.063 0.000 2.426 526 L HA 0.356 4.696 4.340 -0.001 0.000 0.271 526 L C 0.166 177.016 176.870 -0.033 0.000 1.169 526 L CA -0.163 54.610 54.840 -0.112 0.000 0.836 526 L CB 0.638 42.604 42.059 -0.156 0.000 1.112 526 L HN 0.659 nan 8.230 nan 0.000 0.465 527 D N 1.700 122.051 120.400 -0.080 0.000 2.481 527 D HA 0.198 4.837 4.640 -0.001 0.000 0.246 527 D C -1.235 174.978 176.300 -0.145 0.000 1.109 527 D CA -0.397 53.560 54.000 -0.072 0.000 0.845 527 D CB 1.088 41.872 40.800 -0.027 0.000 1.160 527 D HN 0.269 nan 8.370 nan 0.000 0.534 528 D N 2.015 122.363 120.400 -0.086 0.000 2.481 528 D HA 0.107 4.747 4.640 -0.001 0.000 0.246 528 D C 0.718 176.960 176.300 -0.096 0.000 1.109 528 D CA -0.358 53.615 54.000 -0.044 0.000 0.845 528 D CB 1.717 42.601 40.800 0.140 0.000 1.160 528 D HN 0.337 nan 8.370 nan 0.000 0.534 529 S N 3.376 118.988 115.700 -0.146 0.000 2.496 529 S HA 0.028 4.497 4.470 -0.001 0.000 0.224 529 S C 1.177 175.734 174.600 -0.071 0.000 0.996 529 S CA 0.253 58.358 58.200 -0.158 0.000 0.927 529 S CB 0.225 63.310 63.200 -0.192 0.000 0.774 529 S HN 0.486 nan 8.310 nan 0.000 0.524 530 R N -0.350 120.142 120.500 -0.013 0.000 2.508 530 R HA 0.311 4.650 4.340 -0.001 0.000 0.300 530 R C -0.744 175.633 176.300 0.127 0.000 0.970 530 R CA -0.216 55.903 56.100 0.032 0.000 1.102 530 R CB 0.518 30.833 30.300 0.025 0.000 1.246 530 R HN 0.538 nan 8.270 nan 0.000 0.539 531 W N 1.091 122.346 121.300 -0.075 0.000 3.405 531 W HA 0.273 4.932 4.660 -0.001 0.000 0.329 531 W C -2.958 173.522 176.519 -0.066 0.000 1.142 531 W CA -1.960 55.330 57.345 -0.092 0.000 1.235 531 W CB 1.701 31.088 29.460 -0.122 0.000 1.341 531 W HN -0.187 nan 8.180 nan 0.000 0.481 532 P HA 0.085 nan 4.420 nan 0.000 0.225 532 P C 0.379 177.322 177.300 -0.594 0.000 1.148 532 P CA 1.897 64.151 63.100 -1.409 0.000 0.779 532 P CB 0.268 31.379 31.700 -0.981 0.000 0.780 533 G N -1.126 107.497 108.800 -0.296 0.000 2.617 533 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 533 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 533 G C -0.439 174.407 174.900 -0.090 0.000 1.214 533 G CA -0.512 44.505 45.100 -0.139 0.000 0.796 533 G HN 0.085 nan 8.290 nan 0.000 0.654 534 S N 0.178 115.865 115.700 -0.022 0.000 2.537 534 S HA 0.520 4.990 4.470 -0.001 0.000 0.286 534 S C 1.838 176.440 174.600 0.003 0.000 1.299 534 S CA 2.019 60.235 58.200 0.027 0.000 1.067 534 S CB 0.277 63.529 63.200 0.086 0.000 0.864 534 S HN 2.702 nan 8.310 nan 0.000 0.494 535 G N 2.827 111.629 108.800 0.004 0.000 2.199 535 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.254 535 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.254 535 G C 0.616 175.496 174.900 -0.034 0.000 0.982 535 G CA 0.347 45.441 45.100 -0.010 0.000 0.632 535 G HN 0.863 nan 8.290 nan 0.000 0.529 536 V N -0.349 119.527 119.914 -0.063 0.000 2.690 536 V HA 0.467 4.587 4.120 -0.001 0.000 0.240 536 V C 0.762 176.795 176.094 -0.101 0.000 1.078 536 V CA 1.814 64.058 62.300 -0.094 0.000 1.102 536 V CB 0.930 32.660 31.823 -0.154 0.000 0.800 536 V HN 0.535 nan 8.190 nan 0.000 0.479 537 E N 0.250 120.386 120.200 -0.106 0.000 2.406 537 E HA 0.153 4.503 4.350 -0.001 0.000 0.297 537 E C -1.821 174.746 176.600 -0.054 0.000 0.917 537 E CA -0.444 55.904 56.400 -0.088 0.000 0.795 537 E CB 1.522 31.143 29.700 -0.132 0.000 1.285 537 E HN 0.255 nan 8.360 nan 0.000 0.400 538 D N 2.692 123.084 120.400 -0.014 0.000 2.416 538 D HA 0.097 4.736 4.640 -0.001 0.000 0.240 538 D C 0.570 176.879 176.300 0.016 0.000 1.250 538 D CA 0.566 54.580 54.000 0.024 0.000 0.967 538 D CB 0.559 41.379 40.800 0.032 0.000 1.059 538 D HN 0.357 nan 8.370 nan 0.000 0.512 539 S N 2.892 118.595 115.700 0.005 0.000 2.539 539 S HA 0.055 4.525 4.470 -0.001 0.000 0.226 539 S C 0.854 175.465 174.600 0.018 0.000 1.054 539 S CA -0.648 57.552 58.200 -0.001 0.000 0.910 539 S CB 0.001 63.180 63.200 -0.035 0.000 0.818 539 S HN 0.465 nan 8.310 nan 0.000 0.490 540 R N 2.656 123.166 120.500 0.017 0.000 2.543 540 R HA 0.412 4.751 4.340 -0.001 0.000 0.277 540 R C -0.026 176.328 176.300 0.089 0.000 1.074 540 R CA 0.048 56.149 56.100 0.002 0.000 1.076 540 R CB -0.310 29.895 30.300 -0.158 0.000 0.993 540 R HN 0.247 nan 8.270 nan 0.000 0.459 541 T N -0.386 114.221 114.554 0.088 0.000 2.910 541 T HA 0.161 4.511 4.350 -0.001 0.000 0.293 541 T C 0.114 174.932 174.700 0.197 0.000 1.015 541 T CA -0.607 61.567 62.100 0.124 0.000 1.094 541 T CB 1.386 70.311 68.868 0.094 0.000 0.968 541 T HN 0.544 nan 8.240 nan 0.000 0.521 542 T N 3.089 117.759 114.554 0.193 0.000 2.845 542 T HA 0.409 4.759 4.350 -0.001 0.000 0.288 542 T C 0.396 175.205 174.700 0.181 0.000 0.980 542 T CA -0.548 61.688 62.100 0.226 0.000 1.071 542 T CB 0.278 69.235 68.868 0.148 0.000 0.941 542 T HN 0.566 nan 8.240 nan 0.000 0.487 543 I N 4.167 124.862 120.570 0.209 0.000 2.363 543 I HA 0.216 4.386 4.170 -0.001 0.000 0.292 543 I C 0.152 176.357 176.117 0.146 0.000 1.075 543 I CA -0.129 61.272 61.300 0.168 0.000 1.333 543 I CB 0.219 38.320 38.000 0.169 0.000 1.415 543 I HN 0.448 nan 8.210 nan 0.000 0.502 544 I N 8.018 128.658 120.570 0.118 0.000 2.301 544 I HA 0.293 4.463 4.170 -0.001 0.000 0.292 544 I C -0.147 176.031 176.117 0.102 0.000 1.046 544 I CA -0.157 61.205 61.300 0.103 0.000 1.282 544 I CB 0.436 38.484 38.000 0.079 0.000 1.409 544 I HN 0.384 nan 8.210 nan 0.000 0.484 545 L N 5.877 127.165 121.223 0.108 0.000 2.341 545 L HA 0.947 5.286 4.340 -0.001 0.000 0.267 545 L C 0.130 177.058 176.870 0.096 0.000 1.009 545 L CA -0.673 54.230 54.840 0.104 0.000 0.819 545 L CB 2.189 44.316 42.059 0.114 0.000 1.323 545 L HN 0.700 nan 8.230 nan 0.000 0.425 546 G N 0.269 109.122 108.800 0.088 0.000 2.473 546 G HA2 0.203 4.162 3.960 -0.001 0.000 0.298 546 G HA3 0.203 4.162 3.960 -0.001 0.000 0.298 546 G C -0.264 174.678 174.900 0.070 0.000 1.575 546 G CA -0.515 44.633 45.100 0.080 0.000 0.846 546 G HN 0.680 nan 8.290 nan 0.000 0.585 547 E N 0.233 120.472 120.200 0.065 0.000 2.130 547 E HA -0.136 4.213 4.350 -0.001 0.000 0.196 547 E C 0.810 177.438 176.600 0.047 0.000 0.998 547 E CA 1.348 57.780 56.400 0.053 0.000 0.806 547 E CB 0.249 29.977 29.700 0.047 0.000 0.738 547 E HN 0.479 nan 8.360 nan 0.000 0.459 548 D N -0.569 119.859 120.400 0.046 0.000 2.328 548 D HA 0.067 4.707 4.640 -0.001 0.000 0.221 548 D C 1.140 177.465 176.300 0.041 0.000 1.072 548 D CA 0.295 54.319 54.000 0.040 0.000 0.850 548 D CB 0.757 41.578 40.800 0.035 0.000 0.922 548 D HN 0.155 nan 8.370 nan 0.000 0.516 549 I N -0.868 119.732 120.570 0.049 0.000 4.317 549 I HA 0.202 4.372 4.170 -0.001 0.000 0.289 549 I C -1.388 174.764 176.117 0.060 0.000 1.164 549 I CA 0.171 61.502 61.300 0.051 0.000 1.312 549 I CB 1.158 39.188 38.000 0.051 0.000 1.569 549 I HN -0.173 nan 8.210 nan 0.000 0.450 550 L N 2.220 123.484 121.223 0.069 0.000 2.795 550 L HA 0.505 4.844 4.340 -0.001 0.000 0.260 550 L C -2.430 174.492 176.870 0.087 0.000 0.935 550 L CA -0.832 54.057 54.840 0.081 0.000 0.985 550 L CB 1.796 43.910 42.059 0.091 0.000 1.433 550 L HN -0.114 nan 8.230 nan 0.000 0.447 551 P HA 0.032 nan 4.420 nan 0.000 0.220 551 P C -0.072 177.285 177.300 0.095 0.000 1.152 551 P CA 0.847 63.998 63.100 0.083 0.000 0.812 551 P CB 0.478 32.220 31.700 0.071 0.000 0.792 552 S N -1.948 113.820 115.700 0.114 0.000 2.638 552 S HA 0.733 5.202 4.470 -0.001 0.000 0.274 552 S C -1.153 173.556 174.600 0.181 0.000 1.157 552 S CA -0.698 57.580 58.200 0.130 0.000 0.826 552 S CB 2.567 65.840 63.200 0.122 0.000 1.139 552 S HN -0.087 nan 8.310 nan 0.000 0.474 553 K N 0.386 120.904 120.400 0.197 0.000 2.525 553 K HA 0.418 4.738 4.320 -0.001 0.000 0.254 553 K C -1.775 175.014 176.600 0.315 0.000 0.934 553 K CA -0.279 56.167 56.287 0.265 0.000 0.802 553 K CB 1.200 33.812 32.500 0.186 0.000 1.295 553 K HN 0.877 nan 8.250 nan 0.000 0.433 554 H N 2.047 121.260 119.070 0.238 0.000 2.548 554 H HA 0.493 5.049 4.556 -0.001 0.000 0.331 554 H C -0.271 175.279 175.328 0.371 0.000 1.093 554 H CA -0.749 55.482 56.048 0.305 0.000 1.367 554 H CB 1.436 31.456 29.762 0.429 0.000 1.455 554 H HN 0.447 nan 8.280 nan 0.000 0.519 555 V N 0.849 121.016 119.914 0.423 0.000 2.962 555 V HA 0.642 4.761 4.120 -0.001 0.000 0.313 555 V C -0.542 175.883 176.094 0.552 0.000 1.099 555 V CA -0.825 61.717 62.300 0.403 0.000 0.971 555 V CB 1.891 33.691 31.823 -0.039 0.000 1.028 555 V HN 0.416 nan 8.190 nan 0.000 0.430 556 V N 3.923 124.192 119.914 0.593 0.000 2.709 556 V HA 0.658 4.777 4.120 -0.001 0.000 0.308 556 V C -0.471 175.968 176.094 0.574 0.000 1.062 556 V CA -0.389 62.223 62.300 0.520 0.000 0.901 556 V CB 1.904 33.903 31.823 0.293 0.000 1.003 556 V HN 0.947 nan 8.190 nan 0.000 0.425 557 M N 3.926 123.829 119.600 0.504 0.000 2.436 557 M HA 0.501 4.980 4.480 -0.001 0.000 0.331 557 M C -0.570 175.977 176.300 0.411 0.000 1.135 557 M CA -0.242 55.324 55.300 0.443 0.000 0.987 557 M CB 1.359 34.164 32.600 0.341 0.000 1.687 557 M HN 0.773 nan 8.290 nan 0.000 0.445 558 H N 1.931 121.191 119.070 0.316 0.000 2.492 558 H HA 0.499 5.054 4.556 -0.001 0.000 0.345 558 H C -1.396 174.037 175.328 0.176 0.000 1.136 558 H CA -0.589 55.609 56.048 0.251 0.000 1.202 558 H CB 1.244 31.207 29.762 0.336 0.000 1.524 558 H HN 0.664 nan 8.280 nan 0.000 0.506 559 N N 3.122 121.551 118.700 -0.453 0.000 2.569 559 N HA 0.039 4.778 4.740 -0.001 0.000 0.254 559 N C 0.325 175.500 175.510 -0.559 0.000 1.004 559 N CA -0.310 52.510 53.050 -0.383 0.000 0.904 559 N CB 1.544 39.912 38.487 -0.197 0.000 1.165 559 N HN 0.631 nan 8.380 nan 0.000 0.513 560 T N 2.804 117.079 114.554 -0.465 0.000 3.035 560 T HA 0.140 4.489 4.350 -0.001 0.000 0.268 560 T C 0.706 175.372 174.700 -0.056 0.000 1.109 560 T CA 0.566 62.569 62.100 -0.163 0.000 1.119 560 T CB -0.247 68.667 68.868 0.076 0.000 0.900 560 T HN 0.420 nan 8.240 nan 0.000 0.503 561 L N 2.728 123.865 121.223 -0.143 0.000 2.417 561 L HA 0.296 4.636 4.340 -0.001 0.000 0.268 561 L C -1.544 175.185 176.870 -0.234 0.000 1.158 561 L CA -1.881 52.839 54.840 -0.201 0.000 0.819 561 L CB 0.609 42.419 42.059 -0.415 0.000 1.112 561 L HN -0.038 nan 8.230 nan 0.000 0.458 562 P HA 0.030 nan 4.420 nan 0.000 0.254 562 P C -0.932 176.392 177.300 0.041 0.000 1.631 562 P CA 0.410 63.502 63.100 -0.012 0.000 0.861 562 P CB -0.371 31.380 31.700 0.085 0.000 1.663 563 H N -3.373 115.709 119.070 0.020 0.000 3.046 563 H HA 0.216 4.771 4.556 -0.001 0.000 0.361 563 H C -1.125 174.220 175.328 0.028 0.000 1.235 563 H CA -1.051 55.027 56.048 0.050 0.000 1.146 563 H CB -0.141 29.684 29.762 0.105 0.000 1.859 563 H HN -0.143 nan 8.280 nan 0.000 0.548 564 W N 1.912 123.313 121.300 0.169 0.000 2.257 564 W HA 0.233 4.893 4.660 -0.001 0.000 0.337 564 W C 0.922 177.541 176.519 0.166 0.000 1.321 564 W CA 0.474 57.880 57.345 0.101 0.000 1.267 564 W CB 0.448 29.942 29.460 0.056 0.000 1.187 564 W HN 0.537 nan 8.180 nan 0.000 0.565 565 R N 2.267 122.958 120.500 0.319 0.000 2.604 565 R HA 0.316 4.655 4.340 -0.001 0.000 0.281 565 R C -1.106 175.317 176.300 0.205 0.000 1.020 565 R CA -0.659 55.588 56.100 0.245 0.000 0.899 565 R CB 1.462 31.841 30.300 0.131 0.000 1.205 565 R HN 0.508 nan 8.270 nan 0.000 0.450 566 E N 2.537 122.837 120.200 0.167 0.000 2.195 566 E HA 0.263 4.612 4.350 -0.001 0.000 0.271 566 E C -1.319 175.325 176.600 0.073 0.000 0.923 566 E CA -0.822 55.654 56.400 0.128 0.000 0.790 566 E CB 2.511 32.282 29.700 0.117 0.000 1.155 566 E HN 0.425 nan 8.360 nan 0.000 0.402 567 Q N 3.022 122.842 119.800 0.032 0.000 2.438 567 Q HA 0.248 4.588 4.340 -0.001 0.000 0.272 567 Q C -1.600 174.354 176.000 -0.077 0.000 0.994 567 Q CA -0.575 55.219 55.803 -0.015 0.000 0.887 567 Q CB 1.461 30.182 28.738 -0.028 0.000 1.432 567 Q HN 0.554 nan 8.270 nan 0.000 0.392 568 L N 3.297 124.470 121.223 -0.084 0.000 2.416 568 L HA 0.414 4.754 4.340 -0.001 0.000 0.272 568 L C 0.161 176.893 176.870 -0.231 0.000 1.161 568 L CA -0.397 54.356 54.840 -0.143 0.000 0.845 568 L CB 0.804 42.817 42.059 -0.077 0.000 1.119 568 L HN 0.497 nan 8.230 nan 0.000 0.464 569 V N -0.516 119.155 119.914 -0.405 0.000 2.914 569 V HA 0.701 4.821 4.120 -0.001 0.000 0.314 569 V C -0.951 174.866 176.094 -0.463 0.000 1.084 569 V CA -0.865 61.153 62.300 -0.471 0.000 0.963 569 V CB 2.172 33.661 31.823 -0.557 0.000 1.025 569 V HN 0.793 nan 8.190 nan 0.000 0.432 570 D N 1.444 121.572 120.400 -0.453 0.000 2.601 570 D HA 0.659 5.299 4.640 -0.001 0.000 0.230 570 D C -1.383 174.628 176.300 -0.481 0.000 1.106 570 D CA -0.436 53.412 54.000 -0.254 0.000 0.873 570 D CB 2.503 43.240 40.800 -0.106 0.000 1.515 570 D HN 0.453 nan 8.370 nan 0.000 0.468 571 F N -0.392 119.595 119.950 0.062 0.000 2.599 571 F HA 0.349 4.876 4.527 -0.001 0.000 0.311 571 F C -0.729 175.198 175.800 0.212 0.000 1.076 571 F CA -1.026 57.019 58.000 0.075 0.000 0.937 571 F CB 1.631 40.730 39.000 0.164 0.000 1.282 571 F HN 0.147 nan 8.300 nan 0.000 0.460 572 Y N 2.090 122.557 120.300 0.279 0.000 2.313 572 Y HA 0.585 5.135 4.550 -0.001 0.000 0.332 572 Y C 0.112 176.135 175.900 0.206 0.000 1.071 572 Y CA -1.522 56.686 58.100 0.180 0.000 1.169 572 Y CB 1.069 39.589 38.460 0.100 0.000 1.192 572 Y HN 0.335 nan 8.280 nan 0.000 0.487 573 V N -0.304 119.821 119.914 0.352 0.000 2.962 573 V HA 0.539 4.659 4.120 -0.001 0.000 0.313 573 V C 0.419 176.665 176.094 0.252 0.000 1.099 573 V CA -0.758 61.707 62.300 0.276 0.000 0.971 573 V CB 1.684 33.665 31.823 0.263 0.000 1.028 573 V HN 0.684 nan 8.190 nan 0.000 0.430 574 S N 0.412 116.234 115.700 0.204 0.000 2.603 574 S HA 0.200 4.670 4.470 -0.001 0.000 0.220 574 S C 0.695 175.455 174.600 0.266 0.000 0.967 574 S CA 0.550 58.863 58.200 0.189 0.000 0.920 574 S CB -0.274 63.000 63.200 0.125 0.000 0.773 574 S HN 1.455 nan 8.310 nan 0.000 0.529 575 S N 1.154 117.000 115.700 0.244 0.000 2.541 575 S HA 0.555 5.024 4.470 -0.001 0.000 0.271 575 S C -2.578 171.919 174.600 -0.172 0.000 1.133 575 S CA -1.323 56.891 58.200 0.024 0.000 0.876 575 S CB 2.008 65.230 63.200 0.038 0.000 1.105 575 S HN 0.021 nan 8.310 nan 0.000 0.470 576 P HA 0.163 nan 4.420 nan 0.000 0.235 576 P C 0.082 177.295 177.300 -0.144 0.000 1.177 576 P CA 0.374 63.148 63.100 -0.543 0.000 0.785 576 P CB -0.128 30.979 31.700 -0.988 0.000 0.885 577 F N 1.022 120.989 119.950 0.028 0.000 2.573 577 F HA 0.232 4.759 4.527 -0.001 0.000 0.349 577 F C 0.375 176.221 175.800 0.076 0.000 1.213 577 F CA -0.796 57.251 58.000 0.079 0.000 1.300 577 F CB 0.206 39.216 39.000 0.017 0.000 1.661 577 F HN -0.332 nan 8.300 nan 0.000 0.616 578 V N 0.959 121.011 119.914 0.229 0.000 2.656 578 V HA 0.481 4.600 4.120 -0.001 0.000 0.307 578 V C -0.264 175.896 176.094 0.111 0.000 1.051 578 V CA -0.828 61.563 62.300 0.152 0.000 0.893 578 V CB 2.214 34.118 31.823 0.135 0.000 0.999 578 V HN 0.480 nan 8.190 nan 0.000 0.426 579 S N 3.180 118.927 115.700 0.078 0.000 2.568 579 S HA 0.883 5.353 4.470 -0.001 0.000 0.302 579 S C -0.883 173.704 174.600 -0.022 0.000 1.082 579 S CA -0.758 57.469 58.200 0.046 0.000 1.009 579 S CB 2.014 65.255 63.200 0.069 0.000 1.069 579 S HN 0.442 nan 8.310 nan 0.000 0.500 580 V N 2.043 121.906 119.914 -0.085 0.000 2.581 580 V HA 0.836 4.955 4.120 -0.001 0.000 0.303 580 V C 0.123 176.126 176.094 -0.152 0.000 1.041 580 V CA -0.463 61.707 62.300 -0.217 0.000 0.907 580 V CB 1.613 33.114 31.823 -0.538 0.000 0.994 580 V HN 1.214 nan 8.190 nan 0.000 0.442 581 T N -0.606 113.875 114.554 -0.121 0.000 2.883 581 T HA 0.631 4.981 4.350 -0.001 0.000 0.301 581 T C -0.981 173.687 174.700 -0.054 0.000 1.158 581 T CA -0.937 61.114 62.100 -0.081 0.000 1.007 581 T CB 2.090 70.904 68.868 -0.090 0.000 1.186 581 T HN 0.707 nan 8.240 nan 0.000 0.499 582 D N 0.796 121.132 120.400 -0.107 0.000 2.506 582 D HA 0.271 4.910 4.640 -0.001 0.000 0.272 582 D C 1.232 177.377 176.300 -0.258 0.000 1.214 582 D CA -1.206 52.606 54.000 -0.313 0.000 1.067 582 D CB 0.311 40.923 40.800 -0.314 0.000 1.117 582 D HN 0.354 nan 8.370 nan 0.000 0.578 583 L N -0.274 120.778 121.223 -0.286 0.000 2.275 583 L HA 0.107 4.446 4.340 -0.001 0.000 0.215 583 L C 1.984 178.764 176.870 -0.151 0.000 1.119 583 L CA 1.524 56.239 54.840 -0.210 0.000 0.790 583 L CB -0.878 41.065 42.059 -0.194 0.000 0.919 583 L HN 0.611 nan 8.230 nan 0.000 0.443 584 A N -1.162 121.575 122.820 -0.138 0.000 2.259 584 A HA 0.015 4.335 4.320 -0.001 0.000 0.208 584 A C 1.149 178.680 177.584 -0.089 0.000 1.201 584 A CA 0.467 52.443 52.037 -0.101 0.000 0.824 584 A CB -0.569 18.378 19.000 -0.088 0.000 0.838 584 A HN 0.607 nan 8.150 nan 0.000 0.485 585 N N -0.262 118.377 118.700 -0.102 0.000 2.782 585 N HA -0.129 4.610 4.740 -0.001 0.000 0.251 585 N C -1.057 174.404 175.510 -0.081 0.000 1.101 585 N CA 0.665 53.664 53.050 -0.085 0.000 0.764 585 N CB -1.383 37.066 38.487 -0.063 0.000 1.122 585 N HN 0.593 nan 8.380 nan 0.000 0.561 586 N N 1.748 120.395 118.700 -0.089 0.000 2.497 586 N HA 0.228 4.968 4.740 -0.001 0.000 0.271 586 N C -2.259 173.180 175.510 -0.119 0.000 1.142 586 N CA -0.634 52.360 53.050 -0.092 0.000 0.965 586 N CB 0.700 39.141 38.487 -0.076 0.000 1.077 586 N HN 0.233 nan 8.380 nan 0.000 0.462 587 P HA 0.054 nan 4.420 nan 0.000 0.269 587 P C -0.547 176.606 177.300 -0.245 0.000 1.209 587 P CA -0.104 62.814 63.100 -0.303 0.000 0.776 587 P CB 0.909 32.177 31.700 -0.719 0.000 0.876 588 V N 2.635 122.453 119.914 -0.160 0.000 2.487 588 V HA 0.218 4.338 4.120 -0.001 0.000 0.298 588 V C 0.559 176.641 176.094 -0.020 0.000 1.028 588 V CA -0.830 61.437 62.300 -0.056 0.000 0.860 588 V CB 1.425 33.237 31.823 -0.018 0.000 0.991 588 V HN 0.578 nan 8.190 nan 0.000 0.427 589 E N 2.774 123.000 120.200 0.044 0.000 2.415 589 E HA 0.452 4.801 4.350 -0.001 0.000 0.263 589 E C -0.197 176.471 176.600 0.114 0.000 0.995 589 E CA 0.096 56.555 56.400 0.099 0.000 0.915 589 E CB 0.872 30.634 29.700 0.104 0.000 0.951 589 E HN 0.881 nan 8.360 nan 0.000 0.449 590 A N 4.341 127.219 122.820 0.096 0.000 2.527 590 A HA 0.447 4.766 4.320 -0.001 0.000 0.293 590 A C -1.261 176.344 177.584 0.036 0.000 1.117 590 A CA -0.689 51.416 52.037 0.112 0.000 0.723 590 A CB 1.986 21.045 19.000 0.099 0.000 1.313 590 A HN 0.652 nan 8.150 nan 0.000 0.411 591 Q N 0.719 120.549 119.800 0.049 0.000 2.347 591 Q HA 0.643 4.983 4.340 -0.001 0.000 0.271 591 Q C -2.072 173.932 176.000 0.005 0.000 1.064 591 Q CA -0.539 55.254 55.803 -0.017 0.000 0.800 591 Q CB 2.254 31.018 28.738 0.043 0.000 1.304 591 Q HN 0.578 nan 8.270 nan 0.000 0.438 592 V N 2.517 122.375 119.914 -0.094 0.000 2.459 592 V HA 0.587 4.707 4.120 -0.001 0.000 0.295 592 V C -0.563 175.718 176.094 0.312 0.000 1.029 592 V CA -0.314 62.039 62.300 0.088 0.000 0.874 592 V CB 1.867 33.704 31.823 0.023 0.000 0.985 592 V HN 0.837 nan 8.190 nan 0.000 0.438 593 S N 5.133 121.041 115.700 0.348 0.000 2.632 593 S HA 0.698 5.168 4.470 -0.001 0.000 0.289 593 S C -2.763 171.917 174.600 0.134 0.000 1.115 593 S CA -1.167 57.227 58.200 0.323 0.000 0.889 593 S CB 2.476 65.816 63.200 0.234 0.000 1.116 593 S HN 0.523 nan 8.310 nan 0.000 0.486 594 P HA 0.290 nan 4.420 nan 0.000 0.274 594 P C -1.202 175.782 177.300 -0.526 0.000 1.256 594 P CA -0.524 62.200 63.100 -0.626 0.000 0.795 594 P CB 0.420 31.355 31.700 -1.276 0.000 1.038 595 V N 1.654 121.184 119.914 -0.641 0.000 2.318 595 V HA 0.205 4.324 4.120 -0.001 0.000 0.271 595 V C -0.654 175.139 176.094 -0.502 0.000 1.030 595 V CA -0.224 61.801 62.300 -0.459 0.000 0.844 595 V CB -0.413 31.066 31.823 -0.574 0.000 1.015 595 V HN 0.515 nan 8.190 nan 0.000 0.460 596 W N 3.454 124.671 121.300 -0.138 0.000 2.390 596 W HA 0.624 5.283 4.660 -0.001 0.000 0.312 596 W C 0.425 176.858 176.519 -0.143 0.000 1.123 596 W CA -0.408 56.832 57.345 -0.175 0.000 1.202 596 W CB 1.741 31.101 29.460 -0.167 0.000 1.251 596 W HN 0.554 nan 8.180 nan 0.000 0.511 597 S N 1.493 117.205 115.700 0.019 0.000 2.521 597 S HA 0.568 5.038 4.470 -0.001 0.000 0.295 597 S C -1.404 172.956 174.600 -0.401 0.000 1.098 597 S CA -0.977 57.157 58.200 -0.110 0.000 0.999 597 S CB 0.938 64.075 63.200 -0.105 0.000 1.034 597 S HN 0.409 nan 8.310 nan 0.000 0.483 598 W N 2.147 123.195 121.300 -0.421 0.000 2.417 598 W HA 0.551 5.211 4.660 -0.001 0.000 0.317 598 W C 0.470 176.590 176.519 -0.666 0.000 1.121 598 W CA -0.087 57.009 57.345 -0.414 0.000 1.208 598 W CB 0.820 30.152 29.460 -0.214 0.000 1.253 598 W HN 0.636 nan 8.180 nan 0.000 0.533 599 H N 1.538 120.626 119.070 0.029 0.000 2.806 599 H HA 0.111 4.667 4.556 -0.001 0.000 0.367 599 H C -0.807 174.554 175.328 0.056 0.000 1.136 599 H CA -0.832 55.219 56.048 0.006 0.000 1.178 599 H CB 1.898 31.598 29.762 -0.104 0.000 1.718 599 H HN 0.368 nan 8.280 nan 0.000 0.540 600 H N 2.704 121.869 119.070 0.158 0.000 3.008 600 H HA -0.005 4.550 4.556 -0.001 0.000 0.268 600 H C -0.422 174.984 175.328 0.130 0.000 1.323 600 H CA -0.189 55.938 56.048 0.131 0.000 1.401 600 H CB -0.124 29.692 29.762 0.090 0.000 1.556 600 H HN 0.550 nan 8.280 nan 0.000 0.502 601 D N 3.745 124.312 120.400 0.279 0.000 2.356 601 D HA -0.057 4.582 4.640 -0.001 0.000 0.272 601 D C 0.660 177.126 176.300 0.276 0.000 1.337 601 D CA 0.206 54.373 54.000 0.278 0.000 0.970 601 D CB 0.729 41.741 40.800 0.354 0.000 1.092 601 D HN 0.533 nan 8.370 nan 0.000 0.516 602 T N 4.351 119.048 114.554 0.238 0.000 2.881 602 T HA -0.105 4.245 4.350 -0.001 0.000 0.270 602 T C 1.821 176.592 174.700 0.119 0.000 1.068 602 T CA 0.290 62.497 62.100 0.177 0.000 1.131 602 T CB 0.340 69.260 68.868 0.085 0.000 0.871 602 T HN 0.381 nan 8.240 nan 0.000 0.479 603 L N 1.492 122.774 121.223 0.098 0.000 2.022 603 L HA 0.017 4.357 4.340 -0.001 0.000 0.204 603 L C 2.985 179.886 176.870 0.052 0.000 1.076 603 L CA 2.064 56.941 54.840 0.062 0.000 0.749 603 L CB -2.029 40.057 42.059 0.047 0.000 0.903 603 L HN 0.402 nan 8.230 nan 0.000 0.439 604 T N -3.612 110.972 114.554 0.050 0.000 3.118 604 T HA -0.044 4.306 4.350 -0.001 0.000 0.260 604 T C 0.790 175.506 174.700 0.026 0.000 1.139 604 T CA -0.087 62.021 62.100 0.015 0.000 1.085 604 T CB -0.013 68.832 68.868 -0.037 0.000 0.934 604 T HN 0.128 nan 8.240 nan 0.000 0.518 605 K N 2.000 122.439 120.400 0.065 0.000 3.096 605 K HA -0.125 4.195 4.320 -0.001 0.000 0.266 605 K C 0.136 176.726 176.600 -0.017 0.000 1.043 605 K CA 1.283 57.607 56.287 0.062 0.000 0.758 605 K CB -2.784 29.753 32.500 0.060 0.000 1.260 605 K HN 0.901 nan 8.250 nan 0.000 0.481 606 T N -2.932 111.607 114.554 -0.025 0.000 2.883 606 T HA 0.797 5.146 4.350 -0.001 0.000 0.296 606 T C 0.208 174.919 174.700 0.020 0.000 1.117 606 T CA -1.052 61.035 62.100 -0.021 0.000 1.006 606 T CB 2.263 71.136 68.868 0.009 0.000 1.191 606 T HN 0.133 nan 8.240 nan 0.000 0.508 607 I N 4.005 124.611 120.570 0.059 0.000 2.359 607 I HA 0.402 4.572 4.170 -0.001 0.000 0.284 607 I C -0.020 176.328 176.117 0.385 0.000 1.018 607 I CA -0.772 60.620 61.300 0.154 0.000 1.173 607 I CB 0.473 38.516 38.000 0.071 0.000 1.326 607 I HN 0.756 nan 8.210 nan 0.000 0.462 608 H N 6.651 125.812 119.070 0.152 0.000 2.928 608 H HA 0.627 5.182 4.556 -0.001 0.000 0.371 608 H C -3.256 171.822 175.328 -0.416 0.000 1.186 608 H CA -2.936 53.063 56.048 -0.082 0.000 1.134 608 H CB 1.929 31.650 29.762 -0.069 0.000 1.824 608 H HN 0.173 nan 8.280 nan 0.000 0.554 609 P HA 0.269 nan 4.420 nan 0.000 0.292 609 P C -0.895 176.252 177.300 -0.256 0.000 1.283 609 P CA -0.557 61.928 63.100 -1.026 0.000 0.835 609 P CB 2.093 32.817 31.700 -1.626 0.000 1.017 610 Q N 0.882 120.644 119.800 -0.062 0.000 2.337 610 Q HA 0.602 4.942 4.340 -0.001 0.000 0.266 610 Q C 0.164 176.203 176.000 0.064 0.000 1.023 610 Q CA -0.813 55.050 55.803 0.100 0.000 0.829 610 Q CB 2.447 31.242 28.738 0.095 0.000 1.306 610 Q HN 0.541 nan 8.270 nan 0.000 0.449 611 G N 0.715 109.433 108.800 -0.137 0.000 2.389 611 G HA2 0.327 4.287 3.960 -0.001 0.000 0.317 611 G HA3 0.327 4.287 3.960 -0.001 0.000 0.317 611 G C -0.504 174.119 174.900 -0.462 0.000 1.137 611 G CA -0.364 44.323 45.100 -0.688 0.000 0.870 611 G HN 0.426 nan 8.290 nan 0.000 0.496 612 S N -0.535 114.842 115.700 -0.538 0.000 2.565 612 S HA 0.354 4.824 4.470 -0.001 0.000 0.276 612 S C 1.450 175.774 174.600 -0.459 0.000 1.326 612 S CA 0.237 58.168 58.200 -0.449 0.000 1.045 612 S CB 0.789 63.676 63.200 -0.522 0.000 0.918 612 S HN 0.914 nan 8.310 nan 0.000 0.505 613 T N -0.140 114.223 114.554 -0.319 0.000 3.129 613 T HA 0.199 4.549 4.350 -0.001 0.000 0.267 613 T C 0.973 175.559 174.700 -0.190 0.000 1.018 613 T CA 0.354 62.334 62.100 -0.200 0.000 0.903 613 T CB -0.177 68.635 68.868 -0.093 0.000 1.067 613 T HN 0.701 nan 8.240 nan 0.000 0.549 614 T N -2.406 111.933 114.554 -0.358 0.000 3.046 614 T HA 0.361 4.710 4.350 -0.001 0.000 0.270 614 T C 0.080 174.543 174.700 -0.395 0.000 0.920 614 T CA -0.477 61.475 62.100 -0.246 0.000 0.874 614 T CB 0.371 69.154 68.868 -0.142 0.000 1.214 614 T HN 0.357 nan 8.240 nan 0.000 0.536 615 K N 0.209 120.151 120.400 -0.763 0.000 2.422 615 K HA 0.624 4.944 4.320 -0.001 0.000 0.251 615 K C -1.987 173.956 176.600 -1.095 0.000 0.933 615 K CA -0.809 55.067 56.287 -0.685 0.000 0.798 615 K CB 1.886 34.076 32.500 -0.518 0.000 1.238 615 K HN 0.194 nan 8.250 nan 0.000 0.428 616 Y N 0.484 120.716 120.300 -0.114 0.000 2.588 616 Y HA 0.459 5.008 4.550 -0.001 0.000 0.343 616 Y C -0.377 175.568 175.900 0.075 0.000 1.065 616 Y CA -1.125 56.943 58.100 -0.052 0.000 1.038 616 Y CB 1.736 40.226 38.460 0.050 0.000 1.297 616 Y HN 0.349 nan 8.280 nan 0.000 0.467 617 R N 1.759 122.423 120.500 0.273 0.000 2.294 617 R HA 0.584 4.924 4.340 -0.001 0.000 0.319 617 R C -1.232 175.246 176.300 0.297 0.000 0.984 617 R CA -0.623 55.673 56.100 0.326 0.000 0.861 617 R CB 1.702 32.167 30.300 0.276 0.000 1.104 617 R HN 0.668 nan 8.270 nan 0.000 0.451 618 I N 4.343 125.105 120.570 0.319 0.000 2.377 618 I HA 0.428 4.597 4.170 -0.001 0.000 0.293 618 I C -0.991 175.309 176.117 0.305 0.000 0.987 618 I CA -0.751 60.724 61.300 0.293 0.000 1.185 618 I CB 0.986 39.173 38.000 0.312 0.000 1.341 618 I HN 0.549 nan 8.210 nan 0.000 0.455 619 I N 8.110 128.828 120.570 0.247 0.000 2.545 619 I HA 0.527 4.697 4.170 -0.001 0.000 0.292 619 I C -1.024 175.245 176.117 0.253 0.000 1.040 619 I CA -0.603 60.796 61.300 0.165 0.000 1.068 619 I CB 1.738 39.793 38.000 0.092 0.000 1.251 619 I HN 0.532 nan 8.210 nan 0.000 0.424 620 F N 2.782 122.753 119.950 0.035 0.000 2.693 620 F HA 0.545 5.072 4.527 -0.001 0.000 0.309 620 F C -1.133 174.647 175.800 -0.035 0.000 1.129 620 F CA -1.274 56.725 58.000 -0.002 0.000 0.948 620 F CB 1.331 40.318 39.000 -0.021 0.000 1.315 620 F HN 0.237 nan 8.300 nan 0.000 0.447 621 K N 2.149 122.637 120.400 0.148 0.000 2.285 621 K HA 0.736 5.055 4.320 -0.001 0.000 0.286 621 K C -0.727 175.924 176.600 0.084 0.000 1.072 621 K CA -0.330 55.983 56.287 0.045 0.000 0.913 621 K CB 0.843 33.399 32.500 0.093 0.000 1.067 621 K HN 0.939 nan 8.250 nan 0.000 0.479 622 A N 4.736 127.517 122.820 -0.066 0.000 2.301 622 A HA 0.404 4.724 4.320 -0.001 0.000 0.312 622 A C -0.671 177.038 177.584 0.207 0.000 1.182 622 A CA -0.728 51.326 52.037 0.029 0.000 0.826 622 A CB 0.696 19.652 19.000 -0.072 0.000 1.134 622 A HN 0.881 nan 8.150 nan 0.000 0.501 623 R N 2.302 123.034 120.500 0.387 0.000 2.360 623 R HA 0.593 4.933 4.340 -0.001 0.000 0.318 623 R C -1.746 174.802 176.300 0.413 0.000 0.950 623 R CA -0.226 56.091 56.100 0.362 0.000 0.837 623 R CB 1.170 31.669 30.300 0.331 0.000 1.165 623 R HN 0.500 nan 8.270 nan 0.000 0.458 624 V N 6.081 126.184 119.914 0.316 0.000 2.604 624 V HA 0.485 4.605 4.120 -0.001 0.000 0.305 624 V C -2.236 173.741 176.094 -0.197 0.000 1.043 624 V CA -2.438 59.943 62.300 0.136 0.000 0.888 624 V CB 1.853 33.727 31.823 0.085 0.000 0.995 624 V HN 0.779 nan 8.190 nan 0.000 0.429 625 P HA 0.230 nan 4.420 nan 0.000 0.271 625 P C -2.741 174.051 177.300 -0.847 0.000 1.233 625 P CA -1.362 60.822 63.100 -1.527 0.000 0.789 625 P CB -0.203 30.805 31.700 -1.154 0.000 0.951 626 P HA 0.097 nan 4.420 nan 0.000 0.267 626 P C 0.106 177.344 177.300 -0.102 0.000 1.205 626 P CA 0.556 63.449 63.100 -0.345 0.000 0.765 626 P CB -0.207 31.364 31.700 -0.215 0.000 0.828 627 M N 0.314 119.898 119.600 -0.027 0.000 2.210 627 M HA -0.221 4.258 4.480 -0.001 0.000 0.198 627 M C 0.617 177.077 176.300 0.267 0.000 0.319 627 M CA 0.937 56.358 55.300 0.201 0.000 0.399 627 M CB -2.015 30.807 32.600 0.370 0.000 1.227 627 M HN 0.575 nan 8.290 nan 0.000 0.931 628 G N -0.185 108.621 108.800 0.011 0.000 3.211 628 G HA2 0.941 4.900 3.960 -0.001 0.000 0.262 628 G HA3 0.941 4.900 3.960 -0.001 0.000 0.262 628 G C -1.204 173.800 174.900 0.173 0.000 1.352 628 G CA -0.967 44.114 45.100 -0.032 0.000 1.004 628 G HN 0.194 nan 8.290 nan 0.000 0.559 629 L N -0.565 120.750 121.223 0.153 0.000 2.388 629 L HA 0.792 5.132 4.340 -0.001 0.000 0.264 629 L C -0.294 176.660 176.870 0.139 0.000 0.998 629 L CA -1.053 53.911 54.840 0.206 0.000 0.817 629 L CB 2.487 44.680 42.059 0.224 0.000 1.338 629 L HN 0.736 nan 8.230 nan 0.000 0.414 630 A N 0.741 123.684 122.820 0.206 0.000 2.427 630 A HA 0.797 5.116 4.320 -0.001 0.000 0.298 630 A C -0.769 176.958 177.584 0.239 0.000 1.036 630 A CA -0.445 51.700 52.037 0.180 0.000 0.701 630 A CB 1.685 20.845 19.000 0.268 0.000 1.250 630 A HN 0.563 nan 8.150 nan 0.000 0.412 631 T N 2.167 116.757 114.554 0.060 0.000 2.829 631 T HA 0.648 4.998 4.350 -0.001 0.000 0.282 631 T C -1.037 173.571 174.700 -0.155 0.000 0.990 631 T CA 0.245 62.417 62.100 0.121 0.000 1.028 631 T CB 0.353 69.281 68.868 0.101 0.000 0.951 631 T HN 0.443 nan 8.240 nan 0.000 0.460 632 Y N 0.328 120.693 120.300 0.109 0.000 2.605 632 Y HA 0.672 5.221 4.550 -0.001 0.000 0.343 632 Y C -0.346 175.467 175.900 -0.145 0.000 1.036 632 Y CA -1.137 56.947 58.100 -0.028 0.000 1.065 632 Y CB 1.750 40.216 38.460 0.011 0.000 1.288 632 Y HN 0.314 nan 8.280 nan 0.000 0.481 633 V N 3.021 122.892 119.914 -0.072 0.000 2.588 633 V HA 0.449 4.568 4.120 -0.001 0.000 0.304 633 V C -0.838 175.200 176.094 -0.092 0.000 1.042 633 V CA -0.968 61.238 62.300 -0.157 0.000 0.877 633 V CB 1.866 33.529 31.823 -0.268 0.000 0.996 633 V HN 0.494 nan 8.190 nan 0.000 0.425 634 L N 3.854 125.053 121.223 -0.039 0.000 2.287 634 L HA 0.676 5.015 4.340 -0.001 0.000 0.287 634 L C -0.116 176.773 176.870 0.032 0.000 1.022 634 L CA -0.135 54.694 54.840 -0.019 0.000 0.814 634 L CB 1.820 43.879 42.059 0.000 0.000 1.217 634 L HN 0.611 nan 8.230 nan 0.000 0.420 635 T N 3.686 118.260 114.554 0.035 0.000 2.841 635 T HA 0.487 4.836 4.350 -0.001 0.000 0.283 635 T C -0.263 174.485 174.700 0.081 0.000 1.000 635 T CA -0.387 61.748 62.100 0.058 0.000 0.977 635 T CB 2.432 71.325 68.868 0.041 0.000 0.979 635 T HN 0.382 nan 8.240 nan 0.000 0.446 636 I N 2.851 123.478 120.570 0.094 0.000 2.612 636 I HA 0.604 4.773 4.170 -0.001 0.000 0.295 636 I C 0.102 176.283 176.117 0.106 0.000 1.011 636 I CA 0.028 61.399 61.300 0.118 0.000 1.326 636 I CB 0.884 38.957 38.000 0.121 0.000 1.427 636 I HN 0.830 nan 8.210 nan 0.000 0.537 637 S N 2.304 118.083 115.700 0.132 0.000 2.651 637 S HA 0.338 4.807 4.470 -0.001 0.000 0.279 637 S C -0.065 174.568 174.600 0.055 0.000 1.148 637 S CA -0.326 57.917 58.200 0.071 0.000 0.837 637 S CB 1.552 64.776 63.200 0.040 0.000 1.138 637 S HN 0.742 nan 8.310 nan 0.000 0.478 638 D N 0.854 121.229 120.400 -0.041 0.000 2.224 638 D HA 0.083 4.723 4.640 -0.001 0.000 0.205 638 D C 1.006 177.058 176.300 -0.414 0.000 0.965 638 D CA 1.090 55.030 54.000 -0.099 0.000 0.852 638 D CB -0.125 40.626 40.800 -0.082 0.000 0.947 638 D HN 0.659 nan 8.370 nan 0.000 0.494 639 S N -1.610 113.766 115.700 -0.540 0.000 2.740 639 S HA 0.419 4.889 4.470 -0.001 0.000 0.300 639 S C -0.558 173.580 174.600 -0.770 0.000 1.147 639 S CA -1.291 56.337 58.200 -0.952 0.000 0.871 639 S CB 1.281 64.189 63.200 -0.486 0.000 1.173 639 S HN -0.024 nan 8.310 nan 0.000 0.510 640 K N 2.573 122.608 120.400 -0.607 0.000 2.437 640 K HA 0.161 4.480 4.320 -0.001 0.000 0.277 640 K C -2.109 174.510 176.600 0.032 0.000 1.073 640 K CA -0.679 55.605 56.287 -0.005 0.000 1.105 640 K CB -0.387 32.164 32.500 0.086 0.000 0.881 640 K HN 0.463 nan 8.250 nan 0.000 0.475 641 P HA -0.027 nan 4.420 nan 0.000 0.274 641 P C 0.306 177.619 177.300 0.021 0.000 1.231 641 P CA -0.125 63.013 63.100 0.063 0.000 0.790 641 P CB 0.980 32.742 31.700 0.104 0.000 0.951 642 E N 1.318 121.483 120.200 -0.060 0.000 2.118 642 E HA -0.223 4.127 4.350 -0.001 0.000 0.195 642 E C 0.688 177.090 176.600 -0.330 0.000 0.992 642 E CA 1.126 57.394 56.400 -0.220 0.000 0.804 642 E CB -0.071 29.417 29.700 -0.354 0.000 0.741 642 E HN 0.488 nan 8.360 nan 0.000 0.458 643 H N -0.625 118.454 119.070 0.015 0.000 2.505 643 H HA 0.213 4.769 4.556 -0.001 0.000 0.289 643 H C -0.358 174.964 175.328 -0.010 0.000 1.052 643 H CA 0.252 56.304 56.048 0.006 0.000 1.156 643 H CB 0.668 30.432 29.762 0.004 0.000 1.507 643 H HN -0.046 nan 8.280 nan 0.000 0.548 644 T N 1.471 116.045 114.554 0.035 0.000 2.812 644 T HA 0.319 4.669 4.350 -0.001 0.000 0.282 644 T C 0.287 174.867 174.700 -0.200 0.000 0.990 644 T CA -0.711 61.342 62.100 -0.079 0.000 0.960 644 T CB 2.153 70.963 68.868 -0.097 0.000 0.948 644 T HN 0.268 nan 8.240 nan 0.000 0.438 645 S N 2.335 117.880 115.700 -0.259 0.000 2.718 645 S HA 0.789 5.259 4.470 -0.001 0.000 0.300 645 S C -1.402 172.888 174.600 -0.515 0.000 1.117 645 S CA -0.813 57.257 58.200 -0.217 0.000 1.002 645 S CB 0.875 64.052 63.200 -0.038 0.000 1.092 645 S HN 0.567 nan 8.310 nan 0.000 0.542 646 Y N 0.015 120.324 120.300 0.015 0.000 2.376 646 Y HA 0.662 5.211 4.550 -0.001 0.000 0.340 646 Y C 0.576 176.527 175.900 0.085 0.000 0.965 646 Y CA -0.815 57.282 58.100 -0.006 0.000 1.078 646 Y CB 1.649 39.972 38.460 -0.229 0.000 1.193 646 Y HN 1.032 nan 8.280 nan 0.000 0.452 647 A N 1.952 124.961 122.820 0.314 0.000 2.407 647 A HA 0.516 4.835 4.320 -0.001 0.000 0.248 647 A C 0.250 178.032 177.584 0.331 0.000 1.082 647 A CA -0.334 51.874 52.037 0.284 0.000 0.785 647 A CB -0.053 19.111 19.000 0.273 0.000 1.020 647 A HN 0.769 nan 8.150 nan 0.000 0.489 648 S N 1.977 117.807 115.700 0.216 0.000 2.646 648 S HA 0.559 5.029 4.470 -0.001 0.000 0.276 648 S C -0.381 174.314 174.600 0.159 0.000 1.222 648 S CA -0.903 57.408 58.200 0.185 0.000 1.014 648 S CB 0.813 64.079 63.200 0.109 0.000 0.991 648 S HN 0.680 nan 8.310 nan 0.000 0.533 649 N N 0.568 119.341 118.700 0.121 0.000 2.310 649 N HA 0.485 5.224 4.740 -0.001 0.000 0.292 649 N C -1.977 173.472 175.510 -0.102 0.000 1.049 649 N CA -0.517 52.555 53.050 0.038 0.000 0.849 649 N CB 2.021 40.614 38.487 0.177 0.000 1.532 649 N HN 0.593 nan 8.380 nan 0.000 0.479 650 L N 2.745 123.862 121.223 -0.178 0.000 2.372 650 L HA 0.481 4.821 4.340 -0.001 0.000 0.274 650 L C -1.516 175.185 176.870 -0.282 0.000 0.988 650 L CA -0.600 54.106 54.840 -0.223 0.000 0.833 650 L CB 1.463 43.447 42.059 -0.125 0.000 1.236 650 L HN 0.405 nan 8.230 nan 0.000 0.410 651 L N 6.771 127.773 121.223 -0.369 0.000 2.262 651 L HA 0.474 4.813 4.340 -0.001 0.000 0.288 651 L C -1.208 175.619 176.870 -0.072 0.000 1.035 651 L CA -0.324 54.359 54.840 -0.262 0.000 0.820 651 L CB 1.103 42.990 42.059 -0.287 0.000 1.204 651 L HN 0.662 nan 8.230 nan 0.000 0.424 652 L N 7.269 128.468 121.223 -0.039 0.000 2.265 652 L HA 0.621 4.961 4.340 -0.001 0.000 0.289 652 L C -0.066 176.830 176.870 0.044 0.000 1.033 652 L CA -0.513 54.337 54.840 0.016 0.000 0.814 652 L CB 1.076 43.135 42.059 0.001 0.000 1.203 652 L HN 0.692 nan 8.230 nan 0.000 0.423 653 R N 2.094 122.631 120.500 0.062 0.000 3.176 653 R HA 0.333 4.672 4.340 -0.001 0.000 0.284 653 R C -1.835 174.491 176.300 0.044 0.000 0.985 653 R CA -1.070 55.060 56.100 0.051 0.000 0.853 653 R CB 0.951 31.281 30.300 0.050 0.000 1.309 653 R HN 0.199 nan 8.270 nan 0.000 0.528 654 K N 1.599 122.013 120.400 0.023 0.000 2.154 654 K HA 0.235 4.554 4.320 -0.001 0.000 0.264 654 K C -0.466 176.126 176.600 -0.013 0.000 1.008 654 K CA -0.549 55.743 56.287 0.008 0.000 0.937 654 K CB 0.435 32.938 32.500 0.005 0.000 1.002 654 K HN 0.770 nan 8.250 nan 0.000 0.469 655 N N 0.817 119.501 118.700 -0.028 0.000 2.708 655 N HA -0.114 4.625 4.740 -0.001 0.000 0.255 655 N C -2.390 173.071 175.510 -0.082 0.000 1.046 655 N CA 0.385 53.402 53.050 -0.055 0.000 0.715 655 N CB -1.446 37.011 38.487 -0.051 0.000 0.895 655 N HN 0.540 nan 8.380 nan 0.000 0.545 656 P HA 0.298 nan 4.420 nan 0.000 0.276 656 P C 0.004 177.135 177.300 -0.282 0.000 1.244 656 P CA 0.012 63.021 63.100 -0.152 0.000 0.801 656 P CB 1.109 32.734 31.700 -0.123 0.000 1.006 657 T N -2.880 111.505 114.554 -0.281 0.000 2.916 657 T HA 0.467 4.816 4.350 -0.001 0.000 0.292 657 T C 0.232 174.753 174.700 -0.299 0.000 1.055 657 T CA -0.754 61.191 62.100 -0.259 0.000 1.009 657 T CB 0.670 69.464 68.868 -0.124 0.000 1.118 657 T HN 0.491 nan 8.240 nan 0.000 0.497 658 S N 1.198 116.766 115.700 -0.219 0.000 2.559 658 S HA 0.292 4.762 4.470 -0.001 0.000 0.282 658 S C -0.088 174.623 174.600 0.186 0.000 1.336 658 S CA -0.657 57.520 58.200 -0.039 0.000 1.037 658 S CB -0.366 62.832 63.200 -0.004 0.000 0.853 658 S HN 0.711 nan 8.310 nan 0.000 0.523 659 L N 2.573 124.014 121.223 0.363 0.000 2.481 659 L HA 0.368 4.707 4.340 -0.001 0.000 0.255 659 L C -2.261 174.723 176.870 0.189 0.000 1.192 659 L CA -1.593 53.427 54.840 0.300 0.000 0.924 659 L CB 1.625 43.937 42.059 0.422 0.000 1.179 659 L HN 0.616 nan 8.230 nan 0.000 0.491 660 P HA 0.156 nan 4.420 nan 0.000 0.271 660 P C -0.124 177.176 177.300 -0.000 0.000 1.218 660 P CA -0.154 62.985 63.100 0.065 0.000 0.780 660 P CB 1.779 33.507 31.700 0.046 0.000 0.901 661 L N 1.234 122.466 121.223 0.015 0.000 3.347 661 L HA 0.286 4.626 4.340 -0.001 0.000 0.306 661 L C 1.448 178.385 176.870 0.112 0.000 1.301 661 L CA -0.114 54.710 54.840 -0.027 0.000 0.985 661 L CB 0.076 42.085 42.059 -0.085 0.000 1.400 661 L HN 0.732 nan 8.230 nan 0.000 0.601 662 G N 0.974 109.821 108.800 0.078 0.000 2.629 662 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.313 662 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.313 662 G C 0.599 175.557 174.900 0.098 0.000 1.217 662 G CA 0.713 45.877 45.100 0.107 0.000 0.994 662 G HN 0.438 nan 8.290 nan 0.000 0.549 663 Q N -0.479 119.368 119.800 0.079 0.000 2.472 663 Q HA 0.131 4.471 4.340 -0.001 0.000 0.208 663 Q C 0.797 176.625 176.000 -0.287 0.000 0.958 663 Q CA 0.228 55.950 55.803 -0.135 0.000 0.932 663 Q CB 0.209 28.766 28.738 -0.301 0.000 1.007 663 Q HN 0.487 nan 8.270 nan 0.000 0.508 664 Y N 2.565 122.696 120.300 -0.282 0.000 2.802 664 Y HA -0.087 4.463 4.550 -0.001 0.000 0.333 664 Y C -1.593 174.169 175.900 -0.230 0.000 1.244 664 Y CA -1.473 56.454 58.100 -0.287 0.000 1.558 664 Y CB 0.596 39.032 38.460 -0.040 0.000 1.233 664 Y HN 0.026 nan 8.280 nan 0.000 0.547 665 P HA -0.218 nan 4.420 nan 0.000 0.215 665 P C -0.427 176.706 177.300 -0.278 0.000 1.163 665 P CA 1.574 64.345 63.100 -0.549 0.000 0.894 665 P CB 0.195 31.313 31.700 -0.970 0.000 0.791 666 E N 0.143 120.190 120.200 -0.255 0.000 2.216 666 E HA 0.094 4.443 4.350 -0.001 0.000 0.279 666 E C -0.594 176.120 176.600 0.190 0.000 0.997 666 E CA -0.740 55.673 56.400 0.021 0.000 0.817 666 E CB 0.493 30.238 29.700 0.075 0.000 1.096 666 E HN 0.025 nan 8.360 nan 0.000 0.393 667 D N 2.513 122.991 120.400 0.131 0.000 2.345 667 D HA 0.084 4.724 4.640 -0.001 0.000 0.247 667 D C -0.154 176.222 176.300 0.126 0.000 1.108 667 D CA -0.199 53.888 54.000 0.144 0.000 0.894 667 D CB 1.423 42.294 40.800 0.118 0.000 1.203 667 D HN 0.138 nan 8.370 nan 0.000 0.430 668 V N 2.717 122.694 119.914 0.105 0.000 2.740 668 V HA -0.012 4.107 4.120 -0.001 0.000 0.303 668 V C 0.804 176.764 176.094 -0.223 0.000 1.054 668 V CA 0.217 62.480 62.300 -0.062 0.000 1.106 668 V CB 0.381 32.135 31.823 -0.115 0.000 0.957 668 V HN 0.338 nan 8.190 nan 0.000 0.486 669 K N 3.668 123.868 120.400 -0.333 0.000 2.166 669 K HA 0.720 5.040 4.320 -0.001 0.000 0.245 669 K C -1.263 174.999 176.600 -0.563 0.000 0.967 669 K CA -0.354 55.788 56.287 -0.243 0.000 0.863 669 K CB 1.571 34.025 32.500 -0.075 0.000 1.107 669 K HN 0.406 nan 8.250 nan 0.000 0.436 670 F N -0.550 119.410 119.950 0.016 0.000 2.611 670 F HA 0.743 5.270 4.527 -0.001 0.000 0.324 670 F C 0.475 176.276 175.800 0.001 0.000 1.061 670 F CA -0.611 57.390 58.000 0.001 0.000 0.954 670 F CB 2.645 41.645 39.000 0.000 0.000 1.301 670 F HN 0.642 nan 8.300 nan 0.000 0.482 671 G N 0.083 108.995 108.800 0.187 0.000 2.489 671 G HA2 0.351 4.310 3.960 -0.001 0.000 0.291 671 G HA3 0.351 4.310 3.960 -0.001 0.000 0.291 671 G C -2.282 172.665 174.900 0.078 0.000 1.487 671 G CA -0.953 44.209 45.100 0.104 0.000 0.795 671 G HN 0.375 nan 8.290 nan 0.000 0.513 672 D N 0.756 121.189 120.400 0.056 0.000 2.362 672 D HA 0.389 5.029 4.640 -0.001 0.000 0.242 672 D C -2.026 174.296 176.300 0.038 0.000 1.132 672 D CA -0.580 53.446 54.000 0.043 0.000 0.907 672 D CB 1.039 41.859 40.800 0.034 0.000 1.195 672 D HN 0.015 nan 8.370 nan 0.000 0.429 673 P HA 0.055 nan 4.420 nan 0.000 0.264 673 P C -0.358 176.962 177.300 0.034 0.000 1.183 673 P CA 0.445 63.566 63.100 0.035 0.000 0.763 673 P CB 0.429 32.151 31.700 0.037 0.000 0.807 674 R N 0.424 120.945 120.500 0.035 0.000 2.712 674 R HA 0.423 4.763 4.340 -0.001 0.000 0.272 674 R C -1.192 175.135 176.300 0.046 0.000 1.032 674 R CA -1.023 55.099 56.100 0.037 0.000 0.874 674 R CB 1.116 31.435 30.300 0.031 0.000 1.256 674 R HN 0.221 nan 8.270 nan 0.000 0.468 675 E N 1.844 122.073 120.200 0.048 0.000 2.383 675 E HA 0.298 4.648 4.350 -0.001 0.000 0.264 675 E C 0.005 176.646 176.600 0.067 0.000 1.050 675 E CA -0.214 56.224 56.400 0.064 0.000 0.896 675 E CB 1.049 30.775 29.700 0.042 0.000 0.982 675 E HN 0.467 nan 8.360 nan 0.000 0.424 676 I N -2.085 118.553 120.570 0.113 0.000 2.969 676 I HA 0.610 4.779 4.170 -0.001 0.000 0.307 676 I C -0.698 175.534 176.117 0.192 0.000 1.149 676 I CA -0.898 60.470 61.300 0.113 0.000 1.008 676 I CB 2.408 40.448 38.000 0.067 0.000 1.232 676 I HN 0.259 nan 8.210 nan 0.000 0.435 677 S N 3.871 119.657 115.700 0.143 0.000 2.536 677 S HA 0.853 5.322 4.470 -0.001 0.000 0.287 677 S C -1.123 173.571 174.600 0.158 0.000 1.101 677 S CA -0.548 57.743 58.200 0.151 0.000 0.950 677 S CB 1.278 64.514 63.200 0.060 0.000 1.056 677 S HN 0.627 nan 8.310 nan 0.000 0.481 678 L N 3.305 124.651 121.223 0.204 0.000 2.424 678 L HA 0.711 5.050 4.340 -0.001 0.000 0.258 678 L C -0.468 176.486 176.870 0.140 0.000 0.995 678 L CA -0.788 54.149 54.840 0.162 0.000 0.821 678 L CB 2.453 44.619 42.059 0.178 0.000 1.383 678 L HN 0.664 nan 8.230 nan 0.000 0.410 679 R N 1.504 122.067 120.500 0.104 0.000 2.515 679 R HA 0.655 4.994 4.340 -0.001 0.000 0.278 679 R C -2.151 174.194 176.300 0.074 0.000 1.107 679 R CA -0.463 55.688 56.100 0.086 0.000 0.945 679 R CB 2.298 32.642 30.300 0.074 0.000 1.219 679 R HN 0.403 nan 8.270 nan 0.000 0.434 680 V N 4.598 124.554 119.914 0.071 0.000 2.435 680 V HA 0.593 4.713 4.120 -0.001 0.000 0.290 680 V C 1.048 177.174 176.094 0.053 0.000 1.030 680 V CA 0.626 62.963 62.300 0.062 0.000 0.881 680 V CB 1.137 32.998 31.823 0.065 0.000 0.983 680 V HN 1.113 nan 8.190 nan 0.000 0.445 681 G N 5.069 113.898 108.800 0.049 0.000 2.582 681 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.288 681 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.288 681 G C 0.464 175.386 174.900 0.038 0.000 1.247 681 G CA 0.837 45.963 45.100 0.043 0.000 0.972 681 G HN 0.784 nan 8.290 nan 0.000 0.557 682 N N 1.545 120.265 118.700 0.032 0.000 2.268 682 N HA 0.345 5.085 4.740 -0.001 0.000 0.204 682 N C 1.344 176.869 175.510 0.025 0.000 1.124 682 N CA 0.077 53.142 53.050 0.026 0.000 0.838 682 N CB 0.340 38.839 38.487 0.021 0.000 0.994 682 N HN 0.764 nan 8.380 nan 0.000 0.489 683 G N 2.152 110.971 108.800 0.031 0.000 2.529 683 G HA2 0.117 4.076 3.960 -0.001 0.000 0.277 683 G HA3 0.117 4.076 3.960 -0.001 0.000 0.277 683 G C -2.210 172.708 174.900 0.029 0.000 1.383 683 G CA -0.590 44.528 45.100 0.030 0.000 1.050 683 G HN -0.042 nan 8.290 nan 0.000 0.526 684 P HA 0.218 nan 4.420 nan 0.000 0.274 684 P C -0.640 176.687 177.300 0.044 0.000 1.246 684 P CA -0.005 63.110 63.100 0.025 0.000 0.795 684 P CB 1.021 32.730 31.700 0.014 0.000 1.006 685 T N 2.232 116.816 114.554 0.050 0.000 2.758 685 T HA 0.463 4.812 4.350 -0.001 0.000 0.285 685 T C 0.034 174.765 174.700 0.052 0.000 0.981 685 T CA -0.370 61.776 62.100 0.076 0.000 0.965 685 T CB 0.087 69.021 68.868 0.111 0.000 0.927 685 T HN 0.181 nan 8.240 nan 0.000 0.448 686 L N 2.690 123.935 121.223 0.037 0.000 2.317 686 L HA 0.796 5.136 4.340 -0.001 0.000 0.281 686 L C 0.257 177.019 176.870 -0.181 0.000 1.024 686 L CA -1.141 53.624 54.840 -0.124 0.000 0.810 686 L CB 1.435 43.398 42.059 -0.160 0.000 1.240 686 L HN 0.623 nan 8.230 nan 0.000 0.427 687 A N 3.074 125.671 122.820 -0.371 0.000 2.337 687 A HA 0.871 5.190 4.320 -0.001 0.000 0.329 687 A C -1.166 176.121 177.584 -0.496 0.000 1.146 687 A CA -0.304 51.574 52.037 -0.265 0.000 0.800 687 A CB 0.736 19.588 19.000 -0.247 0.000 1.220 687 A HN 0.496 nan 8.150 nan 0.000 0.472 688 F N 0.723 120.647 119.950 -0.044 0.000 2.561 688 F HA 0.554 5.080 4.527 -0.001 0.000 0.321 688 F C 1.060 176.848 175.800 -0.020 0.000 1.065 688 F CA -0.360 57.629 58.000 -0.019 0.000 0.934 688 F CB 2.109 41.120 39.000 0.018 0.000 1.215 688 F HN 0.674 nan 8.300 nan 0.000 0.471 689 S N -0.143 115.658 115.700 0.169 0.000 2.634 689 S HA 0.128 4.598 4.470 -0.001 0.000 0.261 689 S C 0.915 175.590 174.600 0.124 0.000 1.271 689 S CA -0.147 58.118 58.200 0.110 0.000 0.985 689 S CB 0.634 63.893 63.200 0.098 0.000 0.968 689 S HN 0.835 nan 8.310 nan 0.000 0.568 690 E N -0.473 119.779 120.200 0.086 0.000 2.515 690 E HA -0.148 4.202 4.350 -0.001 0.000 0.201 690 E C 1.159 177.802 176.600 0.071 0.000 1.071 690 E CA 0.737 57.180 56.400 0.071 0.000 0.880 690 E CB -0.423 29.309 29.700 0.054 0.000 0.828 690 E HN 0.763 nan 8.360 nan 0.000 0.540 691 Q N 0.052 119.906 119.800 0.089 0.000 2.280 691 Q HA 0.196 4.536 4.340 -0.001 0.000 0.201 691 Q C 0.766 176.828 176.000 0.105 0.000 0.890 691 Q CA 0.295 56.149 55.803 0.084 0.000 0.947 691 Q CB 1.005 29.793 28.738 0.084 0.000 1.081 691 Q HN 0.484 nan 8.270 nan 0.000 0.502 692 G N 0.871 109.748 108.800 0.128 0.000 2.153 692 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.252 692 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.252 692 G C -0.195 174.897 174.900 0.320 0.000 0.994 692 G CA -0.021 45.164 45.100 0.141 0.000 0.698 692 G HN 0.274 nan 8.290 nan 0.000 0.521 693 L N -0.189 121.241 121.223 0.345 0.000 2.317 693 L HA 0.645 4.985 4.340 -0.001 0.000 0.281 693 L C 0.845 177.917 176.870 0.336 0.000 1.024 693 L CA -1.414 53.666 54.840 0.400 0.000 0.810 693 L CB 1.542 43.755 42.059 0.255 0.000 1.240 693 L HN 0.136 nan 8.230 nan 0.000 0.427 694 L N 3.154 124.569 121.223 0.318 0.000 2.559 694 L HA -0.076 4.263 4.340 -0.001 0.000 0.282 694 L C 0.950 177.644 176.870 -0.294 0.000 1.232 694 L CA 1.106 55.848 54.840 -0.164 0.000 0.885 694 L CB 0.129 42.160 42.059 -0.046 0.000 1.131 694 L HN 0.739 nan 8.230 nan 0.000 0.498 695 K N 1.478 121.578 120.400 -0.501 0.000 2.462 695 K HA 0.246 4.566 4.320 -0.001 0.000 0.201 695 K C -0.279 175.905 176.600 -0.694 0.000 1.268 695 K CA 0.534 56.342 56.287 -0.799 0.000 0.933 695 K CB 0.473 32.663 32.500 -0.516 0.000 1.162 695 K HN 0.803 nan 8.250 nan 0.000 0.527 696 S N -0.349 115.091 115.700 -0.433 0.000 2.588 696 S HA 0.532 5.001 4.470 -0.001 0.000 0.269 696 S C -0.992 173.489 174.600 -0.199 0.000 1.157 696 S CA -1.024 57.022 58.200 -0.257 0.000 0.824 696 S CB 1.391 64.499 63.200 -0.153 0.000 1.126 696 S HN 0.103 nan 8.310 nan 0.000 0.464 697 I N 1.175 121.686 120.570 -0.099 0.000 2.499 697 I HA 0.439 4.608 4.170 -0.001 0.000 0.288 697 I C -0.719 175.402 176.117 0.008 0.000 1.048 697 I CA -0.342 60.922 61.300 -0.059 0.000 1.062 697 I CB 2.194 40.145 38.000 -0.082 0.000 1.238 697 I HN 0.716 nan 8.210 nan 0.000 0.426 698 Q N 5.980 125.805 119.800 0.041 0.000 2.394 698 Q HA 0.415 4.754 4.340 -0.001 0.000 0.259 698 Q C 0.245 176.233 176.000 -0.020 0.000 1.021 698 Q CA -0.494 55.305 55.803 -0.007 0.000 0.805 698 Q CB 1.618 30.340 28.738 -0.026 0.000 1.226 698 Q HN 0.770 nan 8.270 nan 0.000 0.476 699 L N 1.837 123.039 121.223 -0.035 0.000 2.046 699 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 699 L C 1.232 178.088 176.870 -0.024 0.000 1.077 699 L CA 1.358 56.182 54.840 -0.027 0.000 0.747 699 L CB -0.394 41.646 42.059 -0.032 0.000 0.896 699 L HN 0.642 nan 8.230 nan 0.000 0.432 700 T N -5.838 108.694 114.554 -0.038 0.000 2.901 700 T HA 0.236 4.586 4.350 -0.001 0.000 0.293 700 T C 0.348 175.022 174.700 -0.044 0.000 1.084 700 T CA -0.816 61.265 62.100 -0.031 0.000 1.008 700 T CB 1.799 70.649 68.868 -0.030 0.000 1.170 700 T HN 0.005 nan 8.240 nan 0.000 0.509 701 Q N 0.055 119.838 119.800 -0.028 0.000 2.291 701 Q HA -0.103 4.237 4.340 -0.001 0.000 0.206 701 Q C 1.058 177.029 176.000 -0.048 0.000 0.976 701 Q CA 1.566 57.352 55.803 -0.028 0.000 0.875 701 Q CB -0.047 28.686 28.738 -0.008 0.000 0.927 701 Q HN 0.649 nan 8.270 nan 0.000 0.450 702 D N 0.578 120.950 120.400 -0.048 0.000 2.197 702 D HA -0.039 4.601 4.640 -0.001 0.000 0.212 702 D C 1.077 177.332 176.300 -0.075 0.000 0.963 702 D CA 0.638 54.608 54.000 -0.051 0.000 0.864 702 D CB -0.139 40.640 40.800 -0.035 0.000 1.009 702 D HN 0.137 nan 8.370 nan 0.000 0.479 703 S N 2.342 117.994 115.700 -0.079 0.000 2.563 703 S HA 0.108 4.578 4.470 -0.001 0.000 0.269 703 S C -2.204 172.302 174.600 -0.157 0.000 1.364 703 S CA -0.845 57.300 58.200 -0.091 0.000 1.010 703 S CB 0.498 63.654 63.200 -0.075 0.000 0.877 703 S HN -0.020 nan 8.310 nan 0.000 0.549 704 P HA 0.257 nan 4.420 nan 0.000 0.280 704 P C -0.898 176.277 177.300 -0.208 0.000 1.272 704 P CA -0.579 62.413 63.100 -0.180 0.000 0.819 704 P CB 0.411 32.072 31.700 -0.064 0.000 1.122 705 H N -0.106 118.957 119.070 -0.012 0.000 3.067 705 H HA 0.176 4.732 4.556 -0.001 0.000 0.265 705 H C -0.112 175.195 175.328 -0.035 0.000 1.234 705 H CA -0.243 55.786 56.048 -0.031 0.000 1.452 705 H CB -0.437 29.307 29.762 -0.030 0.000 1.527 705 H HN 0.055 nan 8.280 nan 0.000 0.486 706 V N 7.004 126.942 119.914 0.040 0.000 2.479 706 V HA 0.048 4.168 4.120 -0.001 0.000 0.281 706 V C -1.851 174.215 176.094 -0.048 0.000 1.031 706 V CA -1.403 60.897 62.300 -0.001 0.000 1.038 706 V CB 0.636 32.445 31.823 -0.023 0.000 0.981 706 V HN 0.518 nan 8.190 nan 0.000 0.478 707 P HA 0.168 nan 4.420 nan 0.000 0.265 707 P C -0.800 176.438 177.300 -0.103 0.000 1.222 707 P CA 0.290 63.321 63.100 -0.116 0.000 0.767 707 P CB 0.452 31.927 31.700 -0.376 0.000 0.801 708 V N 4.975 124.832 119.914 -0.094 0.000 2.555 708 V HA 0.202 4.322 4.120 -0.001 0.000 0.283 708 V C -0.436 175.523 176.094 -0.226 0.000 1.020 708 V CA -0.469 61.735 62.300 -0.160 0.000 0.883 708 V CB 0.816 32.497 31.823 -0.236 0.000 1.030 708 V HN 0.585 nan 8.190 nan 0.000 0.448 709 H N 4.394 123.308 119.070 -0.261 0.000 2.476 709 H HA 0.471 5.026 4.556 -0.001 0.000 0.328 709 H C -0.974 174.239 175.328 -0.191 0.000 1.073 709 H CA -0.422 55.516 56.048 -0.185 0.000 1.229 709 H CB 2.008 31.700 29.762 -0.116 0.000 1.432 709 H HN 0.467 nan 8.280 nan 0.000 0.477 710 F N 2.539 122.469 119.950 -0.033 0.000 2.394 710 F HA 0.268 4.795 4.527 -0.001 0.000 0.340 710 F C 0.469 176.179 175.800 -0.149 0.000 1.105 710 F CA -0.173 57.744 58.000 -0.138 0.000 1.124 710 F CB 1.182 40.107 39.000 -0.125 0.000 1.145 710 F HN 0.308 nan 8.300 nan 0.000 0.505 711 K N 4.078 124.467 120.400 -0.018 0.000 2.523 711 K HA 0.423 4.743 4.320 -0.001 0.000 0.257 711 K C -2.027 174.410 176.600 -0.271 0.000 0.932 711 K CA -0.593 55.656 56.287 -0.064 0.000 0.812 711 K CB 1.466 33.962 32.500 -0.007 0.000 1.326 711 K HN 0.446 nan 8.250 nan 0.000 0.433 712 F N 3.936 123.858 119.950 -0.046 0.000 2.436 712 F HA 0.496 5.023 4.527 -0.001 0.000 0.340 712 F C -0.346 175.431 175.800 -0.038 0.000 1.113 712 F CA -0.572 57.396 58.000 -0.053 0.000 1.022 712 F CB 1.232 40.180 39.000 -0.087 0.000 1.128 712 F HN 0.266 nan 8.300 nan 0.000 0.466 713 L N 2.532 123.819 121.223 0.106 0.000 2.277 713 L HA 0.645 4.984 4.340 -0.001 0.000 0.254 713 L C -1.122 175.755 176.870 0.012 0.000 1.044 713 L CA -1.021 53.827 54.840 0.012 0.000 0.842 713 L CB 2.229 44.231 42.059 -0.095 0.000 1.422 713 L HN 0.516 nan 8.230 nan 0.000 0.422 714 K N -0.616 119.748 120.400 -0.061 0.000 2.468 714 K HA 0.644 4.964 4.320 -0.001 0.000 0.252 714 K C -1.838 174.713 176.600 -0.081 0.000 0.932 714 K CA -0.764 55.519 56.287 -0.007 0.000 0.794 714 K CB 1.695 34.221 32.500 0.043 0.000 1.241 714 K HN 0.307 nan 8.250 nan 0.000 0.428 715 Y N 0.655 121.019 120.300 0.107 0.000 2.387 715 Y HA 0.531 5.080 4.550 -0.001 0.000 0.330 715 Y C 0.956 176.918 175.900 0.103 0.000 1.133 715 Y CA -0.133 58.043 58.100 0.127 0.000 1.152 715 Y CB 2.331 40.931 38.460 0.235 0.000 1.215 715 Y HN 0.928 nan 8.280 nan 0.000 0.466 716 G N 0.655 109.605 108.800 0.249 0.000 2.971 716 G HA2 0.629 4.588 3.960 -0.001 0.000 0.235 716 G HA3 0.629 4.588 3.960 -0.001 0.000 0.235 716 G C -1.488 173.490 174.900 0.130 0.000 1.351 716 G CA -0.724 44.465 45.100 0.148 0.000 1.039 716 G HN 0.425 nan 8.290 nan 0.000 0.563 717 V N -0.053 119.903 119.914 0.071 0.000 2.769 717 V HA 0.451 4.570 4.120 -0.001 0.000 0.312 717 V C -0.009 176.085 176.094 0.001 0.000 1.061 717 V CA -0.879 61.446 62.300 0.041 0.000 0.931 717 V CB 1.882 33.728 31.823 0.038 0.000 1.010 717 V HN 0.688 nan 8.190 nan 0.000 0.433 718 R N 1.510 122.000 120.500 -0.015 0.000 2.590 718 R HA 0.162 4.501 4.340 -0.001 0.000 0.274 718 R C 1.187 177.431 176.300 -0.094 0.000 1.061 718 R CA 0.467 56.541 56.100 -0.043 0.000 1.081 718 R CB 0.497 30.786 30.300 -0.019 0.000 0.984 718 R HN 0.916 nan 8.270 nan 0.000 0.448 719 S N 1.269 116.839 115.700 -0.216 0.000 2.558 719 S HA 0.036 4.505 4.470 -0.001 0.000 0.217 719 S C 0.326 174.622 174.600 -0.508 0.000 0.975 719 S CA 0.065 58.038 58.200 -0.379 0.000 0.912 719 S CB 0.106 62.992 63.200 -0.523 0.000 0.776 719 S HN 0.547 nan 8.310 nan 0.000 0.526 720 H N 0.372 119.444 119.070 0.005 0.000 2.717 720 H HA 0.618 5.174 4.556 -0.001 0.000 0.366 720 H C 0.937 176.265 175.328 -0.001 0.000 1.132 720 H CA -0.120 55.929 56.048 0.002 0.000 1.180 720 H CB 1.188 30.951 29.762 0.001 0.000 1.678 720 H HN 0.384 nan 8.280 nan 0.000 0.537 721 G N 2.324 111.196 108.800 0.120 0.000 2.593 721 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.237 721 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.237 721 G C -0.829 174.088 174.900 0.030 0.000 1.312 721 G CA -0.413 44.722 45.100 0.059 0.000 0.896 721 G HN 0.608 nan 8.290 nan 0.000 0.574 722 D N 1.334 121.743 120.400 0.015 0.000 2.424 722 D HA 0.511 5.151 4.640 -0.001 0.000 0.244 722 D C 1.018 177.317 176.300 -0.002 0.000 1.134 722 D CA 0.423 54.423 54.000 0.001 0.000 0.881 722 D CB 0.732 41.528 40.800 -0.007 0.000 1.191 722 D HN 0.479 nan 8.370 nan 0.000 0.445 723 R N 0.559 121.058 120.500 -0.003 0.000 2.540 723 R HA 0.397 4.737 4.340 -0.001 0.000 0.287 723 R C 0.029 176.333 176.300 0.007 0.000 0.980 723 R CA -0.582 55.519 56.100 0.002 0.000 0.966 723 R CB 1.097 31.401 30.300 0.007 0.000 1.106 723 R HN 0.216 nan 8.270 nan 0.000 0.480 724 S N 0.119 115.834 115.700 0.025 0.000 2.572 724 S HA 0.569 5.038 4.470 -0.001 0.000 0.279 724 S C 0.309 174.936 174.600 0.045 0.000 1.341 724 S CA 0.168 58.397 58.200 0.049 0.000 1.043 724 S CB 1.122 64.384 63.200 0.103 0.000 0.887 724 S HN 0.725 nan 8.310 nan 0.000 0.516 725 G N -0.135 108.692 108.800 0.045 0.000 2.911 725 G HA2 0.587 4.546 3.960 -0.001 0.000 0.299 725 G HA3 0.587 4.546 3.960 -0.001 0.000 0.299 725 G C 0.548 175.475 174.900 0.045 0.000 1.283 725 G CA -0.130 45.002 45.100 0.053 0.000 0.805 725 G HN 0.702 nan 8.290 nan 0.000 0.548 726 A N -1.298 121.538 122.820 0.026 0.000 1.978 726 A HA 0.058 4.377 4.320 -0.001 0.000 0.220 726 A C 1.890 179.393 177.584 -0.134 0.000 1.170 726 A CA 2.048 54.042 52.037 -0.072 0.000 0.636 726 A CB -0.615 18.278 19.000 -0.178 0.000 0.810 726 A HN 0.597 nan 8.150 nan 0.000 0.448 727 Y N -0.764 119.477 120.300 -0.099 0.000 2.314 727 Y HA 0.342 4.891 4.550 -0.001 0.000 0.294 727 Y C 0.890 176.677 175.900 -0.189 0.000 1.139 727 Y CA -0.053 57.911 58.100 -0.225 0.000 1.162 727 Y CB -0.228 37.747 38.460 -0.809 0.000 1.121 727 Y HN 0.024 nan 8.280 nan 0.000 0.529 728 L N 0.564 121.747 121.223 -0.067 0.000 2.350 728 L HA 0.198 4.538 4.340 -0.001 0.000 0.275 728 L C -0.870 176.059 176.870 0.098 0.000 1.099 728 L CA -0.250 54.563 54.840 -0.044 0.000 0.808 728 L CB 0.978 42.959 42.059 -0.131 0.000 1.149 728 L HN 0.117 nan 8.230 nan 0.000 0.442 729 F N 4.870 124.771 119.950 -0.083 0.000 2.347 729 F HA 0.470 4.996 4.527 -0.001 0.000 0.366 729 F C -0.628 175.103 175.800 -0.116 0.000 1.107 729 F CA -0.794 57.118 58.000 -0.146 0.000 1.058 729 F CB 0.648 39.495 39.000 -0.255 0.000 1.236 729 F HN 0.321 nan 8.300 nan 0.000 0.456 730 L N 8.878 130.019 121.223 -0.137 0.000 2.556 730 L HA 0.331 4.671 4.340 -0.001 0.000 0.243 730 L C -2.281 174.429 176.870 -0.268 0.000 1.331 730 L CA -1.898 52.800 54.840 -0.238 0.000 0.927 730 L CB 0.826 42.838 42.059 -0.078 0.000 1.219 730 L HN 0.409 nan 8.230 nan 0.000 0.490 731 P HA -0.005 nan 4.420 nan 0.000 0.269 731 P C -0.499 176.738 177.300 -0.104 0.000 1.215 731 P CA -0.165 62.767 63.100 -0.279 0.000 0.780 731 P CB 0.611 32.013 31.700 -0.496 0.000 0.898 732 N N 1.365 120.072 118.700 0.012 0.000 3.209 732 N HA 0.270 5.009 4.740 -0.001 0.000 0.309 732 N C 0.652 176.184 175.510 0.037 0.000 1.384 732 N CA -0.153 52.906 53.050 0.014 0.000 1.173 732 N CB -0.663 37.836 38.487 0.020 0.000 1.460 732 N HN 0.743 nan 8.380 nan 0.000 0.534 733 G N 0.851 109.670 108.800 0.031 0.000 2.655 733 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.680 733 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.680 733 G C -3.089 171.885 174.900 0.123 0.000 1.302 733 G CA -1.152 43.978 45.100 0.051 0.000 0.872 733 G HN 0.343 nan 8.290 nan 0.000 0.540 734 P HA 0.451 nan 4.420 nan 0.000 0.268 734 P C 0.549 177.808 177.300 -0.069 0.000 1.208 734 P CA 0.682 63.840 63.100 0.097 0.000 0.777 734 P CB 0.449 32.175 31.700 0.042 0.000 0.875 735 A N 2.198 124.777 122.820 -0.402 0.000 2.466 735 A HA 0.343 4.662 4.320 -0.001 0.000 0.238 735 A C 0.201 177.629 177.584 -0.259 0.000 1.074 735 A CA 0.394 52.043 52.037 -0.647 0.000 0.774 735 A CB -0.258 18.085 19.000 -1.095 0.000 1.015 735 A HN 0.476 nan 8.150 nan 0.000 0.498 736 S N 2.404 117.996 115.700 -0.181 0.000 2.509 736 S HA 0.560 5.030 4.470 -0.001 0.000 0.297 736 S C -2.677 171.886 174.600 -0.061 0.000 1.118 736 S CA -0.978 57.171 58.200 -0.084 0.000 1.074 736 S CB 1.346 64.520 63.200 -0.043 0.000 1.038 736 S HN 0.553 nan 8.310 nan 0.000 0.498 737 P HA 0.080 nan 4.420 nan 0.000 0.265 737 P C -0.789 176.520 177.300 0.015 0.000 1.193 737 P CA -0.215 62.883 63.100 -0.003 0.000 0.765 737 P CB 0.335 32.037 31.700 0.004 0.000 0.823 738 V N 4.355 124.294 119.914 0.041 0.000 2.555 738 V HA 0.011 4.130 4.120 -0.001 0.000 0.286 738 V C 0.897 177.010 176.094 0.031 0.000 1.044 738 V CA 0.013 62.337 62.300 0.040 0.000 1.026 738 V CB 0.124 31.982 31.823 0.059 0.000 0.981 738 V HN 0.478 nan 8.190 nan 0.000 0.480 739 E N 5.181 125.394 120.200 0.021 0.000 2.220 739 E HA 0.121 4.471 4.350 -0.001 0.000 0.272 739 E C 0.597 177.205 176.600 0.013 0.000 1.099 739 E CA 0.071 56.482 56.400 0.018 0.000 0.907 739 E CB 1.018 30.728 29.700 0.016 0.000 1.022 739 E HN 0.540 nan 8.360 nan 0.000 0.428 740 L N 1.823 123.055 121.223 0.016 0.000 2.375 740 L HA 0.089 4.428 4.340 -0.001 0.000 0.215 740 L C 1.468 178.343 176.870 0.008 0.000 1.108 740 L CA 0.546 55.391 54.840 0.008 0.000 0.830 740 L CB -0.442 41.628 42.059 0.019 0.000 0.959 740 L HN 0.758 nan 8.230 nan 0.000 0.457 741 G N 0.856 109.664 108.800 0.015 0.000 2.550 741 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.277 741 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.277 741 G C 0.029 174.941 174.900 0.019 0.000 1.190 741 G CA -0.036 45.073 45.100 0.015 0.000 0.971 741 G HN 0.398 nan 8.290 nan 0.000 0.559 742 Q N 1.710 121.521 119.800 0.018 0.000 2.788 742 Q HA 0.366 4.706 4.340 -0.001 0.000 0.261 742 Q C -2.220 173.797 176.000 0.028 0.000 1.029 742 Q CA -1.437 54.381 55.803 0.024 0.000 0.848 742 Q CB 1.840 30.591 28.738 0.021 0.000 1.185 742 Q HN 0.621 nan 8.270 nan 0.000 0.482 743 P HA 0.039 nan 4.420 nan 0.000 0.269 743 P C -0.211 177.133 177.300 0.074 0.000 1.215 743 P CA -0.200 62.925 63.100 0.041 0.000 0.780 743 P CB 1.138 32.847 31.700 0.015 0.000 0.898 744 V N 2.680 122.673 119.914 0.132 0.000 2.530 744 V HA 0.116 4.236 4.120 -0.001 0.000 0.282 744 V C 0.581 176.812 176.094 0.229 0.000 1.048 744 V CA -0.246 62.157 62.300 0.173 0.000 0.997 744 V CB 1.259 33.218 31.823 0.227 0.000 0.987 744 V HN 0.279 nan 8.190 nan 0.000 0.477 745 V N 6.349 126.341 119.914 0.130 0.000 2.495 745 V HA 0.467 4.587 4.120 -0.001 0.000 0.298 745 V C -0.412 175.691 176.094 0.015 0.000 1.031 745 V CA -0.642 61.714 62.300 0.093 0.000 0.871 745 V CB 1.688 33.522 31.823 0.018 0.000 0.988 745 V HN 0.665 nan 8.190 nan 0.000 0.432 746 L N 6.689 127.921 121.223 0.015 0.000 2.305 746 L HA 0.716 5.055 4.340 -0.001 0.000 0.284 746 L C -0.608 176.136 176.870 -0.210 0.000 1.013 746 L CA 0.013 54.736 54.840 -0.196 0.000 0.819 746 L CB 1.712 43.566 42.059 -0.342 0.000 1.227 746 L HN 0.442 nan 8.230 nan 0.000 0.417 747 V N 4.138 123.915 119.914 -0.229 0.000 2.357 747 V HA 0.537 4.657 4.120 -0.001 0.000 0.284 747 V C -0.001 176.007 176.094 -0.143 0.000 1.018 747 V CA -0.396 61.792 62.300 -0.187 0.000 0.841 747 V CB 1.508 33.238 31.823 -0.155 0.000 0.991 747 V HN 0.837 nan 8.190 nan 0.000 0.437 748 T N 5.376 119.874 114.554 -0.093 0.000 2.770 748 T HA 0.416 4.766 4.350 -0.001 0.000 0.283 748 T C -0.367 174.351 174.700 0.030 0.000 0.988 748 T CA -0.547 61.555 62.100 0.004 0.000 0.957 748 T CB 1.099 70.006 68.868 0.066 0.000 0.930 748 T HN 0.653 nan 8.240 nan 0.000 0.443 749 K N 2.506 122.941 120.400 0.059 0.000 2.394 749 K HA 0.681 5.000 4.320 -0.001 0.000 0.260 749 K C -0.293 176.364 176.600 0.094 0.000 0.967 749 K CA -0.567 55.758 56.287 0.064 0.000 0.855 749 K CB 0.924 33.454 32.500 0.051 0.000 1.101 749 K HN 0.782 nan 8.250 nan 0.000 0.433 750 G N 2.216 111.069 108.800 0.088 0.000 2.658 750 G HA2 0.206 4.166 3.960 -0.001 0.000 0.292 750 G HA3 0.206 4.166 3.960 -0.001 0.000 0.292 750 G C -0.065 174.880 174.900 0.075 0.000 1.320 750 G CA -0.575 44.581 45.100 0.093 0.000 0.933 750 G HN 0.482 nan 8.290 nan 0.000 0.476 751 K N -0.222 120.218 120.400 0.068 0.000 2.097 751 K HA 0.080 4.399 4.320 -0.001 0.000 0.205 751 K C 2.103 178.739 176.600 0.060 0.000 1.050 751 K CA 0.887 57.210 56.287 0.060 0.000 0.938 751 K CB -0.138 32.394 32.500 0.054 0.000 0.718 751 K HN 0.425 nan 8.250 nan 0.000 0.442 752 L N -0.544 120.716 121.223 0.062 0.000 2.357 752 L HA 0.175 4.514 4.340 -0.001 0.000 0.211 752 L C 0.795 177.700 176.870 0.059 0.000 1.075 752 L CA 0.117 54.993 54.840 0.061 0.000 0.830 752 L CB 0.348 42.446 42.059 0.065 0.000 0.996 752 L HN 0.109 nan 8.230 nan 0.000 0.467 753 E N -0.293 119.946 120.200 0.066 0.000 2.304 753 E HA 0.418 4.768 4.350 -0.001 0.000 0.277 753 E C -1.492 175.151 176.600 0.072 0.000 0.898 753 E CA -0.225 56.214 56.400 0.065 0.000 0.764 753 E CB 2.193 31.930 29.700 0.062 0.000 1.216 753 E HN -0.121 nan 8.360 nan 0.000 0.419 754 S N 1.150 116.889 115.700 0.065 0.000 2.634 754 S HA 0.800 5.270 4.470 -0.001 0.000 0.296 754 S C -1.339 173.282 174.600 0.035 0.000 1.104 754 S CA -0.651 57.581 58.200 0.054 0.000 0.920 754 S CB 1.800 65.032 63.200 0.054 0.000 1.111 754 S HN 0.635 nan 8.310 nan 0.000 0.493 755 S N -0.254 115.441 115.700 -0.008 0.000 2.567 755 S HA 0.709 5.179 4.470 -0.001 0.000 0.270 755 S C -1.836 172.666 174.600 -0.164 0.000 1.152 755 S CA -0.742 57.427 58.200 -0.052 0.000 0.835 755 S CB 1.016 64.208 63.200 -0.013 0.000 1.115 755 S HN 0.475 nan 8.310 nan 0.000 0.459 756 V N 1.917 121.676 119.914 -0.258 0.000 2.443 756 V HA 0.713 4.833 4.120 -0.001 0.000 0.293 756 V C -0.525 175.426 176.094 -0.237 0.000 1.021 756 V CA -0.382 61.688 62.300 -0.382 0.000 0.848 756 V CB 1.481 32.751 31.823 -0.923 0.000 0.998 756 V HN 0.978 nan 8.190 nan 0.000 0.424 757 S N 3.334 118.950 115.700 -0.139 0.000 2.513 757 S HA 0.791 5.260 4.470 -0.001 0.000 0.299 757 S C -0.780 173.748 174.600 -0.119 0.000 1.087 757 S CA -0.631 57.493 58.200 -0.126 0.000 1.012 757 S CB 2.191 65.407 63.200 0.027 0.000 1.044 757 S HN 0.641 nan 8.310 nan 0.000 0.485 758 V N 2.057 121.778 119.914 -0.321 0.000 2.760 758 V HA 0.811 4.931 4.120 -0.001 0.000 0.309 758 V C -0.033 175.691 176.094 -0.617 0.000 1.077 758 V CA -0.443 61.681 62.300 -0.293 0.000 0.910 758 V CB 1.806 33.588 31.823 -0.069 0.000 1.008 758 V HN 0.992 nan 8.190 nan 0.000 0.424 759 G N 7.004 115.474 108.800 -0.550 0.000 2.663 759 G HA2 0.529 4.488 3.960 -0.001 0.000 0.320 759 G HA3 0.529 4.488 3.960 -0.001 0.000 0.320 759 G C -0.536 174.240 174.900 -0.206 0.000 0.937 759 G CA -0.329 44.500 45.100 -0.452 0.000 1.332 759 G HN 0.694 nan 8.290 nan 0.000 0.461 760 L N 2.605 123.668 121.223 -0.267 0.000 2.400 760 L HA 0.407 4.746 4.340 -0.001 0.000 0.264 760 L C -2.066 174.694 176.870 -0.183 0.000 1.061 760 L CA -2.344 52.367 54.840 -0.216 0.000 0.799 760 L CB 1.856 43.716 42.059 -0.331 0.000 1.240 760 L HN 0.192 nan 8.230 nan 0.000 0.461 761 P HA 0.097 nan 4.420 nan 0.000 0.267 761 P C 0.012 177.251 177.300 -0.102 0.000 1.209 761 P CA 0.421 63.477 63.100 -0.072 0.000 0.763 761 P CB 1.024 32.704 31.700 -0.034 0.000 0.816 762 S N -0.122 115.541 115.700 -0.062 0.000 2.691 762 S HA -0.111 4.358 4.470 -0.001 0.000 0.262 762 S C 0.188 174.709 174.600 -0.133 0.000 1.284 762 S CA 1.264 59.426 58.200 -0.064 0.000 1.372 762 S CB -1.435 61.741 63.200 -0.039 0.000 1.693 762 S HN 0.390 nan 8.310 nan 0.000 0.647 763 V N 1.171 120.944 119.914 -0.235 0.000 2.711 763 V HA 0.449 4.568 4.120 -0.001 0.000 0.304 763 V C -0.339 175.535 176.094 -0.366 0.000 1.097 763 V CA -0.789 61.321 62.300 -0.317 0.000 0.906 763 V CB 2.140 33.628 31.823 -0.559 0.000 1.015 763 V HN 0.079 nan 8.190 nan 0.000 0.427 764 V N 4.557 124.267 119.914 -0.341 0.000 2.334 764 V HA 0.302 4.422 4.120 -0.001 0.000 0.267 764 V C 0.191 176.073 176.094 -0.353 0.000 1.040 764 V CA -0.349 61.639 62.300 -0.521 0.000 0.866 764 V CB 0.625 32.053 31.823 -0.658 0.000 1.019 764 V HN 0.891 nan 8.190 nan 0.000 0.468 765 H N 5.694 124.507 119.070 -0.429 0.000 2.562 765 H HA 0.507 5.062 4.556 -0.001 0.000 0.314 765 H C -0.725 174.484 175.328 -0.198 0.000 1.079 765 H CA -0.531 55.372 56.048 -0.241 0.000 1.349 765 H CB 1.122 30.785 29.762 -0.165 0.000 1.432 765 H HN 0.677 nan 8.280 nan 0.000 0.479 766 Q N 3.363 122.853 119.800 -0.516 0.000 2.323 766 Q HA 0.305 4.644 4.340 -0.001 0.000 0.271 766 Q C -1.135 174.658 176.000 -0.345 0.000 1.048 766 Q CA -0.933 54.651 55.803 -0.365 0.000 0.792 766 Q CB 2.727 31.358 28.738 -0.179 0.000 1.280 766 Q HN 0.532 nan 8.270 nan 0.000 0.441 767 T N 2.933 117.371 114.554 -0.193 0.000 2.791 767 T HA 0.561 4.911 4.350 -0.001 0.000 0.288 767 T C -0.344 174.381 174.700 0.043 0.000 0.999 767 T CA -0.415 61.689 62.100 0.006 0.000 0.952 767 T CB 0.275 69.313 68.868 0.283 0.000 0.938 767 T HN 0.369 nan 8.240 nan 0.000 0.444 768 I N 3.758 124.365 120.570 0.061 0.000 2.404 768 I HA 0.493 4.662 4.170 -0.001 0.000 0.293 768 I C -0.187 175.981 176.117 0.086 0.000 0.992 768 I CA -0.813 60.523 61.300 0.060 0.000 1.149 768 I CB 1.658 39.685 38.000 0.044 0.000 1.315 768 I HN 0.388 nan 8.210 nan 0.000 0.446 769 M N 5.931 125.582 119.600 0.085 0.000 2.243 769 M HA 0.481 4.961 4.480 -0.001 0.000 0.324 769 M C 0.201 176.542 176.300 0.067 0.000 1.031 769 M CA -0.267 55.086 55.300 0.088 0.000 0.949 769 M CB 2.094 34.760 32.600 0.109 0.000 1.615 769 M HN 0.463 nan 8.290 nan 0.000 0.430 770 R N 1.171 121.706 120.500 0.058 0.000 2.572 770 R HA 0.366 4.705 4.340 -0.001 0.000 0.370 770 R C 0.769 177.097 176.300 0.046 0.000 1.005 770 R CA 0.223 56.352 56.100 0.048 0.000 1.146 770 R CB 1.122 31.443 30.300 0.035 0.000 1.390 770 R HN 1.143 nan 8.270 nan 0.000 0.553 771 G N -0.395 108.435 108.800 0.049 0.000 2.284 771 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.201 771 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.201 771 G C 0.302 175.225 174.900 0.038 0.000 0.998 771 G CA -0.390 44.736 45.100 0.044 0.000 0.651 771 G HN 0.517 nan 8.290 nan 0.000 0.489 772 G N -0.036 108.788 108.800 0.039 0.000 3.252 772 G HA2 0.789 4.749 3.960 -0.001 0.000 0.181 772 G HA3 0.789 4.749 3.960 -0.001 0.000 0.181 772 G C 0.401 175.323 174.900 0.038 0.000 1.187 772 G CA 0.464 45.584 45.100 0.033 0.000 0.886 772 G HN 1.522 nan 8.290 nan 0.000 0.615 773 A N 1.540 124.381 122.820 0.034 0.000 2.540 773 A HA 0.522 4.841 4.320 -0.001 0.000 0.239 773 A C -1.648 175.973 177.584 0.062 0.000 1.061 773 A CA -0.463 51.598 52.037 0.040 0.000 0.758 773 A CB -0.405 18.617 19.000 0.037 0.000 0.991 773 A HN 0.411 nan 8.150 nan 0.000 0.502 774 P HA 0.143 nan 4.420 nan 0.000 0.272 774 P C -0.525 176.846 177.300 0.118 0.000 1.240 774 P CA -0.211 62.951 63.100 0.104 0.000 0.791 774 P CB 0.750 32.530 31.700 0.132 0.000 0.978 775 E N 1.138 121.405 120.200 0.112 0.000 2.179 775 E HA 0.415 4.765 4.350 -0.001 0.000 0.275 775 E C -0.860 175.818 176.600 0.130 0.000 0.945 775 E CA -0.753 55.718 56.400 0.119 0.000 0.792 775 E CB 0.691 30.438 29.700 0.078 0.000 1.125 775 E HN 0.219 nan 8.360 nan 0.000 0.397 776 I N 3.912 124.595 120.570 0.188 0.000 2.441 776 I HA 0.436 4.606 4.170 -0.001 0.000 0.295 776 I C -0.084 176.161 176.117 0.213 0.000 0.994 776 I CA -0.651 60.742 61.300 0.154 0.000 1.144 776 I CB 1.405 39.513 38.000 0.180 0.000 1.314 776 I HN 0.587 nan 8.210 nan 0.000 0.445 777 R N 4.372 124.924 120.500 0.086 0.000 2.575 777 R HA 0.480 4.819 4.340 -0.001 0.000 0.293 777 R C -1.030 175.324 176.300 0.089 0.000 0.983 777 R CA -0.850 55.315 56.100 0.108 0.000 0.887 777 R CB 2.149 32.468 30.300 0.031 0.000 1.184 777 R HN 0.464 nan 8.270 nan 0.000 0.445 778 N N 2.580 121.394 118.700 0.191 0.000 2.443 778 N HA 0.203 4.942 4.740 -0.001 0.000 0.269 778 N C -1.291 174.240 175.510 0.034 0.000 0.985 778 N CA -0.688 52.455 53.050 0.156 0.000 0.921 778 N CB 1.861 40.553 38.487 0.342 0.000 1.195 778 N HN 0.324 nan 8.380 nan 0.000 0.492 779 L N 3.897 125.082 121.223 -0.063 0.000 2.302 779 L HA 0.370 4.709 4.340 -0.001 0.000 0.285 779 L C -1.000 175.812 176.870 -0.097 0.000 1.090 779 L CA -0.501 54.282 54.840 -0.094 0.000 0.866 779 L CB 0.356 42.344 42.059 -0.119 0.000 1.244 779 L HN 0.211 nan 8.230 nan 0.000 0.435 780 V N 4.381 124.242 119.914 -0.088 0.000 2.364 780 V HA 0.362 4.482 4.120 -0.001 0.000 0.272 780 V C -0.331 175.739 176.094 -0.041 0.000 1.036 780 V CA -0.468 61.799 62.300 -0.055 0.000 0.880 780 V CB 1.192 33.013 31.823 -0.004 0.000 0.991 780 V HN 0.671 nan 8.190 nan 0.000 0.460 781 D N 4.079 124.461 120.400 -0.030 0.000 2.375 781 D HA 0.253 4.892 4.640 -0.001 0.000 0.259 781 D C 0.505 176.807 176.300 0.003 0.000 1.235 781 D CA -0.419 53.574 54.000 -0.012 0.000 0.924 781 D CB 1.317 42.109 40.800 -0.012 0.000 1.143 781 D HN 0.472 nan 8.370 nan 0.000 0.529 782 I N 2.355 122.937 120.570 0.020 0.000 3.334 782 I HA 0.049 4.219 4.170 -0.001 0.000 0.282 782 I C 1.442 177.575 176.117 0.026 0.000 1.313 782 I CA 0.996 62.315 61.300 0.032 0.000 1.396 782 I CB -0.267 37.766 38.000 0.054 0.000 1.054 782 I HN 0.603 nan 8.210 nan 0.000 0.495 783 G N 1.043 109.852 108.800 0.015 0.000 2.672 783 G HA2 -0.477 3.482 3.960 -0.001 0.000 0.324 783 G HA3 -0.477 3.482 3.960 -0.001 0.000 0.324 783 G C 0.670 175.576 174.900 0.010 0.000 1.286 783 G CA 0.696 45.800 45.100 0.006 0.000 1.004 783 G HN 0.685 nan 8.290 nan 0.000 0.548 784 S N -0.409 115.296 115.700 0.007 0.000 2.583 784 S HA 0.510 4.979 4.470 -0.001 0.000 0.239 784 S C 0.485 175.097 174.600 0.020 0.000 0.966 784 S CA 0.012 58.219 58.200 0.011 0.000 0.973 784 S CB 0.450 63.651 63.200 0.002 0.000 0.794 784 S HN 0.616 nan 8.310 nan 0.000 0.463 785 L N 3.893 125.132 121.223 0.027 0.000 2.505 785 L HA 0.286 4.625 4.340 -0.001 0.000 0.279 785 L C 0.050 176.943 176.870 0.039 0.000 1.211 785 L CA 0.229 55.089 54.840 0.034 0.000 1.059 785 L CB -0.929 41.154 42.059 0.039 0.000 1.340 785 L HN 0.252 nan 8.230 nan 0.000 0.447 786 D N 3.051 123.471 120.400 0.034 0.000 2.382 786 D HA -0.006 4.634 4.640 -0.001 0.000 0.240 786 D C 0.586 176.912 176.300 0.043 0.000 1.146 786 D CA 0.024 54.045 54.000 0.036 0.000 0.897 786 D CB 0.418 41.235 40.800 0.028 0.000 1.197 786 D HN 0.344 nan 8.370 nan 0.000 0.432 787 N N 0.527 119.256 118.700 0.048 0.000 2.705 787 N HA -0.164 4.576 4.740 -0.001 0.000 0.255 787 N C -0.878 174.677 175.510 0.075 0.000 1.008 787 N CA 0.900 53.984 53.050 0.057 0.000 0.742 787 N CB -1.093 37.419 38.487 0.042 0.000 0.906 787 N HN 0.352 nan 8.380 nan 0.000 0.541 788 T N 0.426 115.031 114.554 0.084 0.000 2.916 788 T HA 0.409 4.759 4.350 -0.001 0.000 0.298 788 T C -0.314 174.457 174.700 0.119 0.000 1.031 788 T CA -0.692 61.470 62.100 0.103 0.000 0.993 788 T CB 2.384 71.301 68.868 0.082 0.000 1.045 788 T HN 0.029 nan 8.240 nan 0.000 0.454 789 E N 2.439 122.738 120.200 0.166 0.000 2.218 789 E HA 0.418 4.768 4.350 -0.001 0.000 0.263 789 E C -0.703 176.023 176.600 0.210 0.000 0.879 789 E CA -0.578 55.918 56.400 0.160 0.000 0.762 789 E CB 2.187 31.961 29.700 0.123 0.000 1.166 789 E HN 0.502 nan 8.360 nan 0.000 0.415 790 I N 2.942 123.620 120.570 0.179 0.000 2.342 790 I HA 0.230 4.399 4.170 -0.001 0.000 0.291 790 I C -0.153 176.110 176.117 0.245 0.000 1.010 790 I CA -0.702 60.720 61.300 0.203 0.000 1.308 790 I CB 1.261 39.371 38.000 0.183 0.000 1.400 790 I HN 0.186 nan 8.210 nan 0.000 0.488 791 V N 8.115 128.176 119.914 0.246 0.000 2.628 791 V HA 0.508 4.627 4.120 -0.001 0.000 0.306 791 V C -0.500 175.642 176.094 0.079 0.000 1.045 791 V CA -0.742 61.688 62.300 0.217 0.000 0.905 791 V CB 2.074 34.081 31.823 0.307 0.000 0.997 791 V HN 0.759 nan 8.190 nan 0.000 0.436 792 M N 7.265 126.834 119.600 -0.052 0.000 2.149 792 M HA 0.581 5.060 4.480 -0.001 0.000 0.342 792 M C -0.631 175.541 176.300 -0.212 0.000 1.068 792 M CA -0.450 54.590 55.300 -0.434 0.000 0.991 792 M CB 0.665 32.954 32.600 -0.517 0.000 1.596 792 M HN 0.763 nan 8.290 nan 0.000 0.439 793 R N 4.648 125.026 120.500 -0.204 0.000 2.711 793 R HA 0.731 5.071 4.340 -0.001 0.000 0.284 793 R C -2.006 174.264 176.300 -0.050 0.000 0.968 793 R CA -0.641 55.410 56.100 -0.082 0.000 0.924 793 R CB 1.592 31.855 30.300 -0.060 0.000 1.162 793 R HN 0.824 nan 8.270 nan 0.000 0.465 794 L N 3.139 124.306 121.223 -0.095 0.000 2.333 794 L HA 0.431 4.770 4.340 -0.001 0.000 0.280 794 L C -0.641 176.147 176.870 -0.136 0.000 1.004 794 L CA -0.476 54.243 54.840 -0.202 0.000 0.820 794 L CB 2.031 43.909 42.059 -0.301 0.000 1.247 794 L HN 0.635 nan 8.230 nan 0.000 0.416 795 E N 2.266 122.395 120.200 -0.118 0.000 2.158 795 E HA 0.523 4.872 4.350 -0.001 0.000 0.271 795 E C -0.641 175.897 176.600 -0.103 0.000 0.911 795 E CA -0.509 55.834 56.400 -0.095 0.000 0.767 795 E CB 2.234 31.871 29.700 -0.104 0.000 1.120 795 E HN 0.609 nan 8.360 nan 0.000 0.405 796 T N -1.350 113.155 114.554 -0.082 0.000 2.804 796 T HA 0.311 4.660 4.350 -0.001 0.000 0.290 796 T C 0.190 174.899 174.700 0.014 0.000 1.099 796 T CA -0.680 61.365 62.100 -0.091 0.000 1.011 796 T CB 1.071 69.903 68.868 -0.060 0.000 1.291 796 T HN 0.582 nan 8.240 nan 0.000 0.523 797 H N -0.790 118.271 119.070 -0.014 0.000 2.549 797 H HA 0.413 4.969 4.556 -0.001 0.000 0.279 797 H C 0.192 175.520 175.328 -0.001 0.000 1.018 797 H CA -0.521 55.520 56.048 -0.011 0.000 1.175 797 H CB 0.109 29.868 29.762 -0.005 0.000 1.485 797 H HN 0.324 nan 8.280 nan 0.000 0.543 798 I N 1.863 122.500 120.570 0.112 0.000 2.668 798 I HA -0.130 4.039 4.170 -0.001 0.000 0.285 798 I C 0.497 176.656 176.117 0.071 0.000 1.168 798 I CA 0.298 61.644 61.300 0.078 0.000 1.424 798 I CB 0.419 38.456 38.000 0.062 0.000 1.377 798 I HN 0.158 nan 8.210 nan 0.000 0.560 799 D N 4.739 125.176 120.400 0.062 0.000 2.801 799 D HA 0.021 4.660 4.640 -0.001 0.000 0.232 799 D C 1.318 177.657 176.300 0.065 0.000 1.128 799 D CA 0.003 54.034 54.000 0.052 0.000 1.003 799 D CB 0.322 41.144 40.800 0.037 0.000 1.110 799 D HN 0.561 nan 8.370 nan 0.000 0.477 800 S N 0.055 115.801 115.700 0.076 0.000 2.489 800 S HA 0.196 4.665 4.470 -0.001 0.000 0.228 800 S C 1.644 176.296 174.600 0.087 0.000 0.995 800 S CA 0.333 58.593 58.200 0.100 0.000 0.934 800 S CB -0.207 63.065 63.200 0.120 0.000 0.771 800 S HN 0.514 nan 8.310 nan 0.000 0.522 801 G N 3.181 112.021 108.800 0.066 0.000 2.574 801 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.301 801 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.301 801 G C 0.172 175.114 174.900 0.070 0.000 1.166 801 G CA 0.620 45.754 45.100 0.058 0.000 0.971 801 G HN 0.790 nan 8.290 nan 0.000 0.542 802 D N 0.151 120.597 120.400 0.076 0.000 2.440 802 D HA 0.356 4.995 4.640 -0.001 0.000 0.216 802 D C 0.632 177.014 176.300 0.137 0.000 1.150 802 D CA -0.229 53.834 54.000 0.105 0.000 0.832 802 D CB 0.259 41.105 40.800 0.077 0.000 0.992 802 D HN 0.459 nan 8.370 nan 0.000 0.502 803 I N 1.493 122.129 120.570 0.110 0.000 2.460 803 I HA 0.523 4.692 4.170 -0.001 0.000 0.298 803 I C -0.185 176.018 176.117 0.143 0.000 0.989 803 I CA -1.112 60.199 61.300 0.018 0.000 1.173 803 I CB 0.688 38.665 38.000 -0.039 0.000 1.338 803 I HN 0.014 nan 8.210 nan 0.000 0.456 804 F N 4.268 124.042 119.950 -0.293 0.000 2.713 804 F HA 0.675 5.201 4.527 -0.001 0.000 0.311 804 F C -2.123 173.341 175.800 -0.560 0.000 1.141 804 F CA -1.170 56.683 58.000 -0.245 0.000 0.939 804 F CB 1.463 40.387 39.000 -0.127 0.000 1.325 804 F HN 0.179 nan 8.300 nan 0.000 0.453 805 Y N 0.259 120.323 120.300 -0.394 0.000 2.462 805 Y HA 0.711 5.261 4.550 -0.001 0.000 0.346 805 Y C 0.035 175.770 175.900 -0.275 0.000 0.976 805 Y CA -0.750 56.988 58.100 -0.603 0.000 1.044 805 Y CB 2.443 40.132 38.460 -1.286 0.000 1.230 805 Y HN 0.868 nan 8.280 nan 0.000 0.455 806 T N -1.369 113.129 114.554 -0.092 0.000 2.896 806 T HA 0.488 4.837 4.350 -0.001 0.000 0.297 806 T C -1.139 173.403 174.700 -0.263 0.000 1.108 806 T CA -1.064 60.998 62.100 -0.063 0.000 1.004 806 T CB 2.085 70.890 68.868 -0.105 0.000 1.159 806 T HN 0.597 nan 8.240 nan 0.000 0.499 807 D N 1.156 121.248 120.400 -0.514 0.000 2.332 807 D HA 0.404 5.043 4.640 -0.001 0.000 0.252 807 D C -0.640 175.408 176.300 -0.421 0.000 1.050 807 D CA -0.837 52.670 54.000 -0.821 0.000 0.970 807 D CB 1.371 41.398 40.800 -1.288 0.000 1.141 807 D HN 0.562 nan 8.370 nan 0.000 0.485 808 L N 1.195 122.214 121.223 -0.340 0.000 2.316 808 L HA 0.255 4.595 4.340 -0.001 0.000 0.280 808 L C 0.258 177.022 176.870 -0.177 0.000 1.006 808 L CA -0.802 53.931 54.840 -0.178 0.000 0.836 808 L CB 0.747 42.765 42.059 -0.068 0.000 1.221 808 L HN 0.416 nan 8.230 nan 0.000 0.418 809 N N 2.733 121.336 118.700 -0.162 0.000 2.693 809 N HA -0.228 4.511 4.740 -0.001 0.000 0.249 809 N C 1.010 176.316 175.510 -0.340 0.000 1.119 809 N CA 0.949 53.900 53.050 -0.166 0.000 0.717 809 N CB -0.817 37.655 38.487 -0.026 0.000 1.071 809 N HN 1.134 nan 8.380 nan 0.000 0.555 810 G N -0.585 108.008 108.800 -0.344 0.000 2.187 810 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.261 810 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.261 810 G C 0.650 175.518 174.900 -0.052 0.000 1.000 810 G CA 0.819 45.734 45.100 -0.308 0.000 0.718 810 G HN 0.484 nan 8.290 nan 0.000 0.519 811 L N -0.660 120.484 121.223 -0.132 0.000 2.467 811 L HA 0.492 4.831 4.340 -0.001 0.000 0.213 811 L C 1.003 177.756 176.870 -0.196 0.000 1.053 811 L CA 1.887 56.571 54.840 -0.260 0.000 0.847 811 L CB 0.159 41.911 42.059 -0.511 0.000 1.075 811 L HN 0.684 nan 8.230 nan 0.000 0.479 812 Q N -1.705 117.984 119.800 -0.186 0.000 2.482 812 Q HA 0.368 4.708 4.340 -0.001 0.000 0.286 812 Q C -1.680 174.208 176.000 -0.187 0.000 1.007 812 Q CA -0.753 54.997 55.803 -0.088 0.000 0.801 812 Q CB 1.238 29.982 28.738 0.011 0.000 1.455 812 Q HN -0.034 nan 8.270 nan 0.000 0.398 813 F N 1.316 121.223 119.950 -0.072 0.000 2.427 813 F HA 0.580 5.106 4.527 -0.001 0.000 0.346 813 F C -0.173 175.599 175.800 -0.046 0.000 1.120 813 F CA -0.830 57.149 58.000 -0.035 0.000 1.033 813 F CB 1.622 40.654 39.000 0.054 0.000 1.126 813 F HN 0.525 nan 8.300 nan 0.000 0.462 814 I N 3.904 124.487 120.570 0.021 0.000 2.441 814 I HA 0.334 4.503 4.170 -0.001 0.000 0.295 814 I C -0.472 175.510 176.117 -0.224 0.000 0.994 814 I CA -0.891 60.370 61.300 -0.064 0.000 1.144 814 I CB 1.282 39.197 38.000 -0.141 0.000 1.314 814 I HN 0.509 nan 8.210 nan 0.000 0.445 815 K N 6.840 127.062 120.400 -0.296 0.000 2.368 815 K HA 0.274 4.594 4.320 -0.001 0.000 0.282 815 K C -0.875 175.269 176.600 -0.759 0.000 1.035 815 K CA -0.364 55.473 56.287 -0.750 0.000 0.973 815 K CB 0.528 32.722 32.500 -0.510 0.000 0.957 815 K HN 0.509 nan 8.250 nan 0.000 0.474 816 R N 3.251 123.112 120.500 -1.065 0.000 2.711 816 R HA 0.354 4.693 4.340 -0.001 0.000 0.284 816 R C -0.580 175.200 176.300 -0.867 0.000 0.968 816 R CA -0.813 54.590 56.100 -1.162 0.000 0.924 816 R CB 1.594 30.655 30.300 -2.065 0.000 1.162 816 R HN 0.680 nan 8.270 nan 0.000 0.465 817 R N 1.547 121.764 120.500 -0.471 0.000 2.451 817 R HA 0.283 4.622 4.340 -0.001 0.000 0.307 817 R C -0.516 175.824 176.300 0.065 0.000 0.965 817 R CA -0.645 55.360 56.100 -0.158 0.000 0.865 817 R CB 1.448 31.698 30.300 -0.083 0.000 1.174 817 R HN 0.530 nan 8.270 nan 0.000 0.455 818 R N 5.056 125.698 120.500 0.235 0.000 2.522 818 R HA 0.108 4.448 4.340 -0.001 0.000 0.284 818 R C -0.939 175.448 176.300 0.145 0.000 1.032 818 R CA 0.225 56.501 56.100 0.292 0.000 1.049 818 R CB 0.391 30.847 30.300 0.260 0.000 0.956 818 R HN 0.550 nan 8.270 nan 0.000 0.422 819 L N 5.193 126.481 121.223 0.109 0.000 2.316 819 L HA 0.216 4.556 4.340 -0.001 0.000 0.280 819 L C 0.264 177.130 176.870 -0.007 0.000 1.006 819 L CA -0.667 54.193 54.840 0.034 0.000 0.836 819 L CB 1.914 43.965 42.059 -0.012 0.000 1.221 819 L HN 0.647 nan 8.230 nan 0.000 0.418 820 D N 1.743 122.146 120.400 0.004 0.000 2.371 820 D HA -0.115 4.525 4.640 -0.001 0.000 0.221 820 D C 1.660 177.944 176.300 -0.027 0.000 0.986 820 D CA 0.798 54.794 54.000 -0.006 0.000 0.899 820 D CB 0.376 41.181 40.800 0.009 0.000 0.902 820 D HN 0.573 nan 8.370 nan 0.000 0.530 821 K N 0.180 120.556 120.400 -0.041 0.000 2.486 821 K HA 0.040 4.359 4.320 -0.001 0.000 0.194 821 K C 0.698 177.239 176.600 -0.099 0.000 1.033 821 K CA 0.297 56.557 56.287 -0.045 0.000 1.004 821 K CB 0.382 32.869 32.500 -0.021 0.000 0.798 821 K HN 0.088 nan 8.250 nan 0.000 0.495 822 L N 2.367 123.495 121.223 -0.158 0.000 2.330 822 L HA 0.470 4.809 4.340 -0.001 0.000 0.271 822 L C -2.259 174.506 176.870 -0.176 0.000 1.013 822 L CA -2.916 51.787 54.840 -0.229 0.000 0.816 822 L CB 1.517 43.340 42.059 -0.393 0.000 1.287 822 L HN -0.050 nan 8.230 nan 0.000 0.435 823 P HA 0.024 nan 4.420 nan 0.000 0.272 823 P C 0.868 178.042 177.300 -0.212 0.000 1.240 823 P CA -0.376 62.626 63.100 -0.164 0.000 0.791 823 P CB 1.358 32.986 31.700 -0.120 0.000 0.978 824 L N 1.067 122.197 121.223 -0.154 0.000 1.997 824 L HA -0.288 4.052 4.340 -0.001 0.000 0.216 824 L C 2.572 179.351 176.870 -0.152 0.000 1.074 824 L CA 2.031 56.803 54.840 -0.114 0.000 0.763 824 L CB -0.674 41.317 42.059 -0.113 0.000 0.890 824 L HN 0.450 nan 8.230 nan 0.000 0.434 825 Q N -0.283 119.312 119.800 -0.341 0.000 2.291 825 Q HA -0.190 4.150 4.340 -0.001 0.000 0.206 825 Q C 1.862 177.758 176.000 -0.175 0.000 0.976 825 Q CA 1.591 57.224 55.803 -0.283 0.000 0.875 825 Q CB -0.560 27.941 28.738 -0.396 0.000 0.927 825 Q HN 0.622 nan 8.270 nan 0.000 0.450 826 A N 1.455 123.965 122.820 -0.516 0.000 2.067 826 A HA -0.039 4.281 4.320 -0.001 0.000 0.217 826 A C 1.629 179.027 177.584 -0.310 0.000 1.156 826 A CA 0.739 52.308 52.037 -0.781 0.000 0.683 826 A CB -0.175 17.988 19.000 -1.395 0.000 0.808 826 A HN 0.348 nan 8.150 nan 0.000 0.455 827 N N -1.106 117.526 118.700 -0.114 0.000 2.383 827 N HA 0.057 4.797 4.740 -0.001 0.000 0.192 827 N C -0.915 174.687 175.510 0.153 0.000 1.141 827 N CA 0.219 53.317 53.050 0.081 0.000 0.851 827 N CB 0.058 38.645 38.487 0.167 0.000 0.976 827 N HN 0.459 nan 8.380 nan 0.000 0.465 828 Y N 0.205 120.455 120.300 -0.085 0.000 2.308 828 Y HA 0.241 4.790 4.550 -0.001 0.000 0.329 828 Y C -0.222 175.644 175.900 -0.057 0.000 1.111 828 Y CA -0.282 57.863 58.100 0.075 0.000 1.179 828 Y CB 0.452 39.027 38.460 0.191 0.000 1.201 828 Y HN -0.068 nan 8.280 nan 0.000 0.483 829 Y N 3.282 123.711 120.300 0.215 0.000 2.634 829 Y HA 0.474 5.024 4.550 -0.001 0.000 0.340 829 Y C -2.340 173.277 175.900 -0.471 0.000 1.058 829 Y CA -2.862 55.235 58.100 -0.004 0.000 1.081 829 Y CB 1.498 39.950 38.460 -0.013 0.000 1.295 829 Y HN 0.450 nan 8.280 nan 0.000 0.487 830 P HA 0.157 nan 4.420 nan 0.000 0.275 830 P C -0.739 176.329 177.300 -0.388 0.000 1.227 830 P CA 0.170 62.700 63.100 -0.951 0.000 0.781 830 P CB 0.546 31.576 31.700 -1.117 0.000 0.906 831 I N 5.124 125.545 120.570 -0.249 0.000 2.778 831 I HA 0.163 4.332 4.170 -0.001 0.000 0.285 831 I C -1.596 174.455 176.117 -0.109 0.000 1.236 831 I CA -2.397 58.830 61.300 -0.121 0.000 1.089 831 I CB 0.786 38.770 38.000 -0.027 0.000 1.601 831 I HN 0.220 nan 8.210 nan 0.000 0.573 832 P HA -0.100 nan 4.420 nan 0.000 0.220 832 P C 0.978 178.252 177.300 -0.044 0.000 1.148 832 P CA 1.377 64.409 63.100 -0.112 0.000 0.803 832 P CB 0.607 32.213 31.700 -0.158 0.000 0.782 833 S N -3.516 112.162 115.700 -0.037 0.000 2.551 833 S HA 0.448 4.917 4.470 -0.001 0.000 0.276 833 S C 0.497 175.187 174.600 0.150 0.000 1.051 833 S CA 0.284 58.519 58.200 0.057 0.000 1.377 833 S CB 0.309 63.559 63.200 0.084 0.000 1.208 833 S HN 0.367 nan 8.310 nan 0.000 0.656 834 G N 1.579 110.468 108.800 0.148 0.000 2.489 834 G HA2 0.556 4.515 3.960 -0.001 0.000 0.291 834 G HA3 0.556 4.515 3.960 -0.001 0.000 0.291 834 G C -1.442 173.716 174.900 0.429 0.000 1.487 834 G CA -0.421 44.898 45.100 0.366 0.000 0.795 834 G HN 0.918 nan 8.290 nan 0.000 0.513 835 M N -0.440 119.437 119.600 0.462 0.000 2.534 835 M HA 0.898 5.377 4.480 -0.001 0.000 0.280 835 M C -1.746 174.803 176.300 0.415 0.000 1.217 835 M CA -1.033 54.495 55.300 0.380 0.000 0.893 835 M CB 2.572 35.299 32.600 0.212 0.000 1.730 835 M HN 1.278 nan 8.290 nan 0.000 0.483 836 F N 0.966 121.066 119.950 0.251 0.000 2.693 836 F HA 0.890 5.417 4.527 -0.001 0.000 0.309 836 F C -1.933 174.003 175.800 0.228 0.000 1.129 836 F CA -1.196 56.892 58.000 0.146 0.000 0.948 836 F CB 1.063 40.062 39.000 -0.002 0.000 1.315 836 F HN 0.797 nan 8.300 nan 0.000 0.447 837 I N -0.080 120.738 120.570 0.412 0.000 2.785 837 I HA 0.914 5.083 4.170 -0.001 0.000 0.302 837 I C -1.408 174.900 176.117 0.319 0.000 1.069 837 I CA -0.908 60.590 61.300 0.330 0.000 1.045 837 I CB 2.430 40.540 38.000 0.183 0.000 1.236 837 I HN 0.964 nan 8.210 nan 0.000 0.429 838 E N 1.980 122.348 120.200 0.279 0.000 2.423 838 E HA 0.551 4.900 4.350 -0.001 0.000 0.280 838 E C -2.098 174.590 176.600 0.145 0.000 1.030 838 E CA -0.843 55.667 56.400 0.183 0.000 0.812 838 E CB 2.141 31.943 29.700 0.171 0.000 1.313 838 E HN 0.746 nan 8.360 nan 0.000 0.456 839 D N 0.413 120.869 120.400 0.092 0.000 2.846 839 D HA 0.485 5.125 4.640 -0.001 0.000 0.273 839 D C 0.847 177.179 176.300 0.053 0.000 1.145 839 D CA -0.188 53.857 54.000 0.075 0.000 1.091 839 D CB -0.003 40.833 40.800 0.060 0.000 1.364 839 D HN 0.455 nan 8.370 nan 0.000 0.613 840 A N -0.709 122.135 122.820 0.040 0.000 1.972 840 A HA -0.151 4.169 4.320 -0.001 0.000 0.219 840 A C 1.467 179.058 177.584 0.011 0.000 1.169 840 A CA 1.545 53.597 52.037 0.026 0.000 0.635 840 A CB -0.717 18.296 19.000 0.021 0.000 0.810 840 A HN 0.525 nan 8.150 nan 0.000 0.446 841 N N -1.768 116.939 118.700 0.011 0.000 2.397 841 N HA 0.064 4.804 4.740 -0.001 0.000 0.190 841 N C -0.384 175.121 175.510 -0.008 0.000 1.099 841 N CA 0.664 53.713 53.050 -0.001 0.000 0.876 841 N CB 0.628 39.116 38.487 0.001 0.000 1.143 841 N HN 0.309 nan 8.380 nan 0.000 0.468 842 T N 0.674 115.230 114.554 0.003 0.000 2.893 842 T HA 0.484 4.833 4.350 -0.001 0.000 0.291 842 T C -0.475 174.226 174.700 0.002 0.000 1.028 842 T CA -0.658 61.440 62.100 -0.004 0.000 0.995 842 T CB 2.863 71.735 68.868 0.007 0.000 1.051 842 T HN -0.020 nan 8.240 nan 0.000 0.470 843 R N 1.792 122.277 120.500 -0.024 0.000 2.673 843 R HA 0.713 5.053 4.340 -0.001 0.000 0.281 843 R C -2.101 174.183 176.300 -0.026 0.000 0.991 843 R CA -0.887 55.200 56.100 -0.021 0.000 0.896 843 R CB 1.381 31.608 30.300 -0.121 0.000 1.201 843 R HN 0.466 nan 8.270 nan 0.000 0.457 844 L N 2.664 123.902 121.223 0.025 0.000 2.376 844 L HA 0.512 4.851 4.340 -0.001 0.000 0.275 844 L C -1.381 175.534 176.870 0.075 0.000 0.987 844 L CA 0.081 54.929 54.840 0.013 0.000 0.828 844 L CB 2.282 44.339 42.059 -0.005 0.000 1.249 844 L HN 0.660 nan 8.230 nan 0.000 0.409 845 T N 5.648 120.225 114.554 0.038 0.000 2.807 845 T HA 0.580 4.929 4.350 -0.001 0.000 0.279 845 T C -1.080 173.688 174.700 0.114 0.000 0.993 845 T CA -0.285 61.877 62.100 0.103 0.000 0.970 845 T CB 1.453 70.307 68.868 -0.024 0.000 0.950 845 T HN 0.456 nan 8.240 nan 0.000 0.441 846 L N 5.064 126.393 121.223 0.177 0.000 2.316 846 L HA 0.534 4.874 4.340 -0.001 0.000 0.280 846 L C -1.310 175.712 176.870 0.253 0.000 1.006 846 L CA -0.716 54.237 54.840 0.188 0.000 0.836 846 L CB 0.549 42.700 42.059 0.153 0.000 1.221 846 L HN 0.415 nan 8.230 nan 0.000 0.418 847 L N 3.806 125.180 121.223 0.252 0.000 2.343 847 L HA 0.652 4.991 4.340 -0.001 0.000 0.275 847 L C 0.566 177.595 176.870 0.265 0.000 1.056 847 L CA -0.244 54.744 54.840 0.247 0.000 0.804 847 L CB 1.439 43.609 42.059 0.185 0.000 1.203 847 L HN 0.766 nan 8.230 nan 0.000 0.440 848 T N -2.345 112.317 114.554 0.180 0.000 2.908 848 T HA 0.635 4.985 4.350 -0.001 0.000 0.290 848 T C 0.622 175.292 174.700 -0.050 0.000 1.034 848 T CA -0.269 61.850 62.100 0.032 0.000 1.010 848 T CB 1.978 70.868 68.868 0.037 0.000 1.068 848 T HN 0.673 nan 8.240 nan 0.000 0.481 849 G N 1.048 109.743 108.800 -0.176 0.000 3.337 849 G HA2 0.427 4.386 3.960 -0.001 0.000 0.246 849 G HA3 0.427 4.386 3.960 -0.001 0.000 0.246 849 G C 0.116 174.958 174.900 -0.098 0.000 1.131 849 G CA -0.341 44.692 45.100 -0.111 0.000 0.773 849 G HN 0.955 nan 8.290 nan 0.000 0.544 850 Q N -0.086 119.648 119.800 -0.109 0.000 2.479 850 Q HA 0.305 4.644 4.340 -0.001 0.000 0.276 850 Q C -3.547 172.417 176.000 -0.059 0.000 0.989 850 Q CA -2.241 53.523 55.803 -0.066 0.000 0.864 850 Q CB 1.914 30.627 28.738 -0.041 0.000 1.444 850 Q HN 0.009 nan 8.270 nan 0.000 0.388 851 P HA 0.464 nan 4.420 nan 0.000 0.281 851 P C -0.729 176.561 177.300 -0.017 0.000 1.252 851 P CA -0.160 62.926 63.100 -0.024 0.000 0.778 851 P CB 1.030 32.723 31.700 -0.011 0.000 0.895 852 L N 1.786 122.993 121.223 -0.026 0.000 2.491 852 L HA 0.669 5.009 4.340 -0.001 0.000 0.254 852 L C 0.725 177.612 176.870 0.028 0.000 1.048 852 L CA -1.159 53.688 54.840 0.011 0.000 0.855 852 L CB 2.070 44.121 42.059 -0.013 0.000 1.466 852 L HN 0.336 nan 8.230 nan 0.000 0.409 853 G N -0.943 107.928 108.800 0.120 0.000 2.400 853 G HA2 0.671 4.631 3.960 -0.001 0.000 0.301 853 G HA3 0.671 4.631 3.960 -0.001 0.000 0.301 853 G C -0.513 174.408 174.900 0.035 0.000 1.154 853 G CA 0.075 45.297 45.100 0.203 0.000 0.852 853 G HN 0.859 nan 8.290 nan 0.000 0.511 854 G N -1.375 107.261 108.800 -0.274 0.000 2.600 854 G HA2 0.707 4.666 3.960 -0.001 0.000 0.293 854 G HA3 0.707 4.666 3.960 -0.001 0.000 0.293 854 G C -1.126 173.312 174.900 -0.769 0.000 1.408 854 G CA 0.430 45.185 45.100 -0.576 0.000 0.782 854 G HN 1.323 nan 8.290 nan 0.000 0.482 855 S N -1.890 113.428 115.700 -0.636 0.000 2.683 855 S HA 0.713 5.183 4.470 -0.001 0.000 0.269 855 S C -1.622 172.539 174.600 -0.732 0.000 1.165 855 S CA 0.368 58.198 58.200 -0.616 0.000 0.840 855 S CB 1.199 64.117 63.200 -0.471 0.000 1.169 855 S HN 1.559 nan 8.310 nan 0.000 0.490 856 S N 1.546 116.594 115.700 -1.088 0.000 2.524 856 S HA 0.446 4.916 4.470 -0.001 0.000 0.227 856 S C 0.192 174.552 174.600 -0.401 0.000 1.304 856 S CA -0.607 57.158 58.200 -0.725 0.000 1.185 856 S CB -0.132 62.538 63.200 -0.883 0.000 1.104 856 S HN 0.567 nan 8.310 nan 0.000 0.475 857 L N 2.707 123.828 121.223 -0.169 0.000 2.554 857 L HA 0.447 4.787 4.340 -0.001 0.000 0.226 857 L C 0.905 177.768 176.870 -0.013 0.000 1.137 857 L CA 0.381 55.201 54.840 -0.033 0.000 0.863 857 L CB -0.109 41.986 42.059 0.060 0.000 0.985 857 L HN 0.671 nan 8.230 nan 0.000 0.451 858 A N -1.224 121.575 122.820 -0.035 0.000 2.604 858 A HA 0.433 4.752 4.320 -0.001 0.000 0.295 858 A C -0.401 177.178 177.584 -0.009 0.000 1.067 858 A CA -0.460 51.572 52.037 -0.008 0.000 0.683 858 A CB 1.173 20.171 19.000 -0.003 0.000 1.281 858 A HN -0.139 nan 8.150 nan 0.000 0.407 859 S N 0.098 115.805 115.700 0.013 0.000 2.593 859 S HA 0.390 4.859 4.470 -0.001 0.000 0.300 859 S C 1.546 176.158 174.600 0.020 0.000 1.267 859 S CA 1.976 60.192 58.200 0.026 0.000 1.065 859 S CB -0.095 63.124 63.200 0.031 0.000 0.807 859 S HN 2.664 nan 8.310 nan 0.000 0.499 860 G N 3.438 112.254 108.800 0.028 0.000 2.179 860 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.260 860 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.260 860 G C -0.161 174.732 174.900 -0.012 0.000 0.977 860 G CA 0.499 45.613 45.100 0.024 0.000 0.641 860 G HN 0.723 nan 8.290 nan 0.000 0.533 861 E N -0.620 119.560 120.200 -0.034 0.000 2.222 861 E HA 0.806 5.155 4.350 -0.001 0.000 0.267 861 E C -0.276 176.265 176.600 -0.099 0.000 0.963 861 E CA -0.784 55.577 56.400 -0.066 0.000 0.837 861 E CB 1.903 31.563 29.700 -0.066 0.000 1.183 861 E HN 0.219 nan 8.360 nan 0.000 0.403 862 L N 1.613 122.775 121.223 -0.102 0.000 2.455 862 L HA 0.424 4.763 4.340 -0.001 0.000 0.264 862 L C -0.917 175.895 176.870 -0.098 0.000 0.968 862 L CA -0.594 54.178 54.840 -0.114 0.000 0.827 862 L CB 2.171 44.194 42.059 -0.060 0.000 1.317 862 L HN 0.689 nan 8.230 nan 0.000 0.407 863 E N 3.516 123.648 120.200 -0.112 0.000 2.366 863 E HA 0.697 5.047 4.350 -0.001 0.000 0.278 863 E C -1.659 174.903 176.600 -0.064 0.000 0.923 863 E CA -0.826 55.541 56.400 -0.054 0.000 0.761 863 E CB 3.410 33.123 29.700 0.021 0.000 1.231 863 E HN 0.538 nan 8.360 nan 0.000 0.443 864 I N 2.524 123.094 120.570 -0.000 0.000 2.571 864 I HA 0.316 4.485 4.170 -0.001 0.000 0.289 864 I C -1.353 174.834 176.117 0.117 0.000 1.115 864 I CA -1.168 60.151 61.300 0.033 0.000 1.045 864 I CB 1.923 39.947 38.000 0.039 0.000 1.238 864 I HN 0.786 nan 8.210 nan 0.000 0.424 865 M N 6.291 125.997 119.600 0.177 0.000 2.228 865 M HA 0.180 4.660 4.480 -0.001 0.000 0.351 865 M C 0.660 177.061 176.300 0.169 0.000 1.233 865 M CA 0.656 56.067 55.300 0.185 0.000 1.129 865 M CB 0.844 33.526 32.600 0.136 0.000 1.604 865 M HN 0.565 nan 8.290 nan 0.000 0.457 866 Q N 1.426 121.361 119.800 0.225 0.000 2.304 866 Q HA 0.240 4.580 4.340 -0.001 0.000 0.204 866 Q C -0.231 175.980 176.000 0.351 0.000 0.936 866 Q CA 0.835 56.836 55.803 0.330 0.000 0.878 866 Q CB 0.373 29.344 28.738 0.388 0.000 0.983 866 Q HN 0.757 nan 8.270 nan 0.000 0.516 867 D N -0.919 119.621 120.400 0.233 0.000 2.694 867 D HA 0.268 4.908 4.640 -0.001 0.000 0.260 867 D C -1.443 174.933 176.300 0.127 0.000 1.250 867 D CA -0.477 53.637 54.000 0.191 0.000 0.763 867 D CB 1.433 42.338 40.800 0.176 0.000 1.311 867 D HN 0.043 nan 8.370 nan 0.000 0.420 868 R N 0.902 121.464 120.500 0.104 0.000 2.548 868 R HA 0.660 4.999 4.340 -0.001 0.000 0.280 868 R C -1.033 175.314 176.300 0.079 0.000 1.061 868 R CA -1.037 55.107 56.100 0.075 0.000 0.915 868 R CB 2.057 32.372 30.300 0.025 0.000 1.210 868 R HN 0.290 nan 8.270 nan 0.000 0.442 869 R N 3.954 124.498 120.500 0.074 0.000 2.388 869 R HA 0.452 4.792 4.340 -0.001 0.000 0.314 869 R C -1.305 175.032 176.300 0.061 0.000 0.959 869 R CA -0.550 55.590 56.100 0.066 0.000 0.851 869 R CB 1.165 31.502 30.300 0.060 0.000 1.168 869 R HN 0.692 nan 8.270 nan 0.000 0.472 870 L N 3.880 125.138 121.223 0.057 0.000 2.356 870 L HA 0.513 4.852 4.340 -0.001 0.000 0.277 870 L C 0.856 177.753 176.870 0.044 0.000 0.996 870 L CA -0.598 54.273 54.840 0.053 0.000 0.822 870 L CB 2.065 44.157 42.059 0.055 0.000 1.256 870 L HN 0.774 nan 8.230 nan 0.000 0.413 871 A N 1.775 124.618 122.820 0.038 0.000 2.016 871 A HA 0.040 4.360 4.320 -0.001 0.000 0.217 871 A C 1.106 178.707 177.584 0.029 0.000 1.162 871 A CA 0.991 53.046 52.037 0.030 0.000 0.662 871 A CB -0.118 18.896 19.000 0.024 0.000 0.812 871 A HN 0.715 nan 8.150 nan 0.000 0.450 872 S N -0.672 115.046 115.700 0.030 0.000 2.681 872 S HA 0.504 4.973 4.470 -0.001 0.000 0.299 872 S C -0.717 173.905 174.600 0.036 0.000 1.113 872 S CA -0.517 57.700 58.200 0.028 0.000 1.013 872 S CB 1.396 64.609 63.200 0.021 0.000 1.076 872 S HN 0.292 nan 8.310 nan 0.000 0.534 873 D N -0.536 119.886 120.400 0.037 0.000 2.304 873 D HA 0.296 4.936 4.640 -0.001 0.000 0.247 873 D C -0.283 176.041 176.300 0.039 0.000 1.089 873 D CA -0.470 53.561 54.000 0.052 0.000 0.910 873 D CB 0.800 41.630 40.800 0.051 0.000 1.199 873 D HN 0.589 nan 8.370 nan 0.000 0.426 874 D N 2.148 122.576 120.400 0.047 0.000 2.738 874 D HA 0.070 4.709 4.640 -0.001 0.000 0.246 874 D C -0.399 175.869 176.300 -0.054 0.000 1.270 874 D CA -0.366 53.630 54.000 -0.007 0.000 0.833 874 D CB -0.479 40.306 40.800 -0.025 0.000 1.040 874 D HN 0.652 nan 8.370 nan 0.000 0.487 875 E N 0.019 120.211 120.200 -0.013 0.000 2.403 875 E HA -0.249 4.100 4.350 -0.001 0.000 0.241 875 E C 0.214 176.783 176.600 -0.053 0.000 1.201 875 E CA 0.211 56.602 56.400 -0.016 0.000 0.721 875 E CB -0.535 29.153 29.700 -0.020 0.000 1.245 875 E HN 0.263 nan 8.360 nan 0.000 0.392 876 R N -0.750 119.697 120.500 -0.087 0.000 2.577 876 R HA 0.190 4.530 4.340 -0.001 0.000 0.344 876 R C 1.329 177.684 176.300 0.092 0.000 1.037 876 R CA 0.611 56.585 56.100 -0.210 0.000 1.102 876 R CB 0.917 30.677 30.300 -0.901 0.000 1.313 876 R HN 0.412 nan 8.270 nan 0.000 0.561 877 G N 0.808 109.749 108.800 0.235 0.000 2.213 877 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.236 877 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.236 877 G C 0.823 175.937 174.900 0.356 0.000 0.991 877 G CA 0.291 45.652 45.100 0.435 0.000 0.629 877 G HN 0.301 nan 8.290 nan 0.000 0.517 878 L N 1.460 122.936 121.223 0.420 0.000 2.083 878 L HA 0.377 4.716 4.340 -0.001 0.000 0.209 878 L C 2.306 179.171 176.870 -0.008 0.000 1.083 878 L CA 2.996 57.938 54.840 0.171 0.000 0.752 878 L CB -0.702 41.572 42.059 0.357 0.000 0.899 878 L HN 1.785 nan 8.230 nan 0.000 0.433 879 G N -0.762 108.072 108.800 0.056 0.000 2.147 879 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.244 879 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.244 879 G C 0.085 174.996 174.900 0.018 0.000 1.005 879 G CA 0.605 45.717 45.100 0.020 0.000 0.713 879 G HN 0.796 nan 8.290 nan 0.000 0.515 880 Q N -2.176 117.649 119.800 0.040 0.000 2.702 880 Q HA 0.653 4.992 4.340 -0.001 0.000 0.289 880 Q C 0.323 176.354 176.000 0.053 0.000 0.923 880 Q CA -0.552 55.273 55.803 0.037 0.000 0.787 880 Q CB 0.366 29.119 28.738 0.026 0.000 1.476 880 Q HN 1.004 nan 8.270 nan 0.000 0.402 881 G N 0.070 108.897 108.800 0.045 0.000 2.630 881 G HA2 0.550 4.509 3.960 -0.001 0.000 0.223 881 G HA3 0.550 4.509 3.960 -0.001 0.000 0.223 881 G C -0.971 173.960 174.900 0.052 0.000 1.434 881 G CA -0.618 44.511 45.100 0.049 0.000 1.057 881 G HN 0.443 nan 8.290 nan 0.000 0.570 882 V N 0.901 120.848 119.914 0.054 0.000 2.305 882 V HA 0.347 4.466 4.120 -0.001 0.000 0.275 882 V C 0.051 176.182 176.094 0.061 0.000 1.020 882 V CA -0.157 62.181 62.300 0.063 0.000 0.811 882 V CB 0.959 32.824 31.823 0.071 0.000 1.031 882 V HN 0.534 nan 8.190 nan 0.000 0.439 883 L N 3.032 124.289 121.223 0.056 0.000 3.184 883 L HA 0.303 4.643 4.340 -0.001 0.000 0.283 883 L C 0.745 177.643 176.870 0.047 0.000 1.218 883 L CA 0.029 54.898 54.840 0.047 0.000 1.028 883 L CB 0.657 42.738 42.059 0.036 0.000 1.400 883 L HN 0.668 nan 8.230 nan 0.000 0.591 884 D N -1.795 118.642 120.400 0.062 0.000 2.491 884 D HA 0.037 4.676 4.640 -0.001 0.000 0.228 884 D C 0.155 176.496 176.300 0.068 0.000 1.183 884 D CA -0.383 53.654 54.000 0.061 0.000 0.827 884 D CB -0.326 40.519 40.800 0.075 0.000 0.989 884 D HN 0.078 nan 8.370 nan 0.000 0.494 885 N N 1.835 120.573 118.700 0.063 0.000 2.374 885 N HA 0.056 4.796 4.740 -0.001 0.000 0.241 885 N C 0.296 175.814 175.510 0.013 0.000 1.262 885 N CA 0.597 53.684 53.050 0.061 0.000 0.880 885 N CB 0.848 39.370 38.487 0.059 0.000 1.105 885 N HN 0.431 nan 8.380 nan 0.000 0.438 886 K N -0.205 120.188 120.400 -0.011 0.000 2.532 886 K HA 0.511 4.830 4.320 -0.001 0.000 0.265 886 K C -3.256 173.311 176.600 -0.055 0.000 0.948 886 K CA -1.838 54.397 56.287 -0.088 0.000 0.842 886 K CB 1.303 33.660 32.500 -0.239 0.000 1.392 886 K HN 0.085 nan 8.250 nan 0.000 0.436 887 P HA -0.039 nan 4.420 nan 0.000 0.264 887 P C -1.064 176.255 177.300 0.032 0.000 1.183 887 P CA -0.408 62.673 63.100 -0.032 0.000 0.763 887 P CB 0.716 32.388 31.700 -0.047 0.000 0.807 888 V N 5.118 125.021 119.914 -0.018 0.000 2.841 888 V HA 0.481 4.600 4.120 -0.001 0.000 0.310 888 V C -1.396 174.572 176.094 -0.210 0.000 1.090 888 V CA -1.079 61.189 62.300 -0.054 0.000 0.930 888 V CB 2.157 33.923 31.823 -0.096 0.000 1.014 888 V HN 0.275 nan 8.190 nan 0.000 0.425 889 L N 6.920 128.047 121.223 -0.161 0.000 2.272 889 L HA 0.600 4.939 4.340 -0.001 0.000 0.284 889 L C -0.400 176.444 176.870 -0.043 0.000 1.045 889 L CA 0.125 54.904 54.840 -0.103 0.000 0.842 889 L CB 0.333 42.357 42.059 -0.059 0.000 1.224 889 L HN 0.699 nan 8.230 nan 0.000 0.430 890 H N 5.654 124.741 119.070 0.029 0.000 2.548 890 H HA 0.481 5.037 4.556 -0.001 0.000 0.331 890 H C -0.080 175.154 175.328 -0.157 0.000 1.093 890 H CA -0.187 55.820 56.048 -0.067 0.000 1.367 890 H CB 1.255 31.042 29.762 0.042 0.000 1.455 890 H HN 0.694 nan 8.280 nan 0.000 0.519 891 I N 0.252 120.668 120.570 -0.255 0.000 2.646 891 I HA 0.616 4.785 4.170 -0.001 0.000 0.299 891 I C -1.383 174.415 176.117 -0.532 0.000 1.036 891 I CA -0.940 60.229 61.300 -0.219 0.000 1.074 891 I CB 2.122 40.078 38.000 -0.073 0.000 1.258 891 I HN 0.248 nan 8.210 nan 0.000 0.430 892 Y N 2.349 122.702 120.300 0.087 0.000 2.670 892 Y HA 0.708 5.257 4.550 -0.001 0.000 0.334 892 Y C -0.682 175.274 175.900 0.094 0.000 1.185 892 Y CA -1.117 57.041 58.100 0.097 0.000 1.053 892 Y CB 1.442 39.980 38.460 0.130 0.000 1.298 892 Y HN 0.417 nan 8.280 nan 0.000 0.459 893 R N 1.408 122.079 120.500 0.284 0.000 2.628 893 R HA 0.560 4.900 4.340 -0.001 0.000 0.288 893 R C -1.992 174.421 176.300 0.189 0.000 0.980 893 R CA -1.036 55.176 56.100 0.188 0.000 0.891 893 R CB 2.402 32.774 30.300 0.121 0.000 1.188 893 R HN 0.650 nan 8.270 nan 0.000 0.450 894 L N 3.201 124.517 121.223 0.155 0.000 2.294 894 L HA 0.447 4.787 4.340 -0.001 0.000 0.283 894 L C -1.127 175.774 176.870 0.052 0.000 1.015 894 L CA -0.557 54.349 54.840 0.110 0.000 0.831 894 L CB 1.733 43.863 42.059 0.120 0.000 1.217 894 L HN 0.312 nan 8.230 nan 0.000 0.420 895 V N 6.226 126.157 119.914 0.028 0.000 2.334 895 V HA 0.401 4.521 4.120 -0.001 0.000 0.281 895 V C -0.315 175.759 176.094 -0.033 0.000 1.016 895 V CA -0.606 61.691 62.300 -0.005 0.000 0.832 895 V CB 1.330 33.143 31.823 -0.017 0.000 0.999 895 V HN 0.630 nan 8.190 nan 0.000 0.439 896 L N 5.490 126.689 121.223 -0.039 0.000 2.295 896 L HA 0.707 5.047 4.340 -0.001 0.000 0.285 896 L C -0.157 176.681 176.870 -0.052 0.000 1.035 896 L CA 0.613 55.423 54.840 -0.050 0.000 0.806 896 L CB 1.103 43.130 42.059 -0.054 0.000 1.214 896 L HN 0.751 nan 8.230 nan 0.000 0.426 897 E N 3.550 123.713 120.200 -0.062 0.000 2.413 897 E HA 0.453 4.803 4.350 -0.001 0.000 0.277 897 E C -1.300 175.263 176.600 -0.062 0.000 0.958 897 E CA -1.193 55.167 56.400 -0.067 0.000 0.779 897 E CB 1.587 31.231 29.700 -0.093 0.000 1.278 897 E HN 0.262 nan 8.360 nan 0.000 0.456 898 K N 1.438 121.805 120.400 -0.056 0.000 2.227 898 K HA 0.235 4.555 4.320 -0.001 0.000 0.280 898 K C 0.310 176.874 176.600 -0.061 0.000 1.041 898 K CA -0.220 56.038 56.287 -0.048 0.000 0.905 898 K CB 1.423 33.899 32.500 -0.039 0.000 1.068 898 K HN 0.469 nan 8.250 nan 0.000 0.470 899 V N -0.475 119.404 119.914 -0.058 0.000 3.253 899 V HA 0.023 4.142 4.120 -0.001 0.000 0.320 899 V C 1.187 177.251 176.094 -0.051 0.000 1.442 899 V CA -0.301 61.957 62.300 -0.071 0.000 1.097 899 V CB -0.300 31.465 31.823 -0.096 0.000 1.008 899 V HN 0.613 nan 8.190 nan 0.000 0.463 900 N N 1.469 120.147 118.700 -0.036 0.000 2.364 900 N HA -0.185 4.554 4.740 -0.001 0.000 0.183 900 N C 1.032 176.525 175.510 -0.029 0.000 1.022 900 N CA 1.670 54.705 53.050 -0.025 0.000 0.883 900 N CB -0.498 37.977 38.487 -0.018 0.000 0.965 900 N HN 0.558 nan 8.380 nan 0.000 0.438 901 N N 0.000 118.678 118.700 -0.037 0.000 2.299 901 N HA 0.070 4.810 4.740 -0.001 0.000 0.187 901 N C -0.200 175.282 175.510 -0.047 0.000 1.099 901 N CA -0.102 52.925 53.050 -0.038 0.000 0.867 901 N CB 0.168 38.632 38.487 -0.039 0.000 0.974 901 N HN 0.203 nan 8.380 nan 0.000 0.477 902 c N 1.401 119.967 118.600 -0.056 0.000 2.601 902 c HA 0.239 4.808 4.570 -0.001 0.000 0.409 902 c C 1.112 175.167 174.090 -0.059 0.000 1.293 902 c CA -0.885 55.403 56.329 -0.068 0.000 2.101 902 c CB 0.703 43.158 42.510 -0.091 0.000 2.639 902 c HN 0.007 nan 8.230 nan 0.000 0.592 903 V N 5.472 125.347 119.914 -0.065 0.000 2.338 903 V HA 0.204 4.324 4.120 -0.001 0.000 0.255 903 V C 0.649 176.707 176.094 -0.060 0.000 1.082 903 V CA 0.324 62.591 62.300 -0.056 0.000 0.951 903 V CB -0.724 31.062 31.823 -0.063 0.000 1.102 903 V HN 0.796 nan 8.190 nan 0.000 0.489 904 R N 4.479 124.956 120.500 -0.038 0.000 2.674 904 R HA 0.544 4.883 4.340 -0.001 0.000 0.266 904 R C -2.408 173.890 176.300 -0.003 0.000 1.016 904 R CA -1.811 54.275 56.100 -0.023 0.000 1.062 904 R CB 0.832 31.122 30.300 -0.016 0.000 1.142 904 R HN 0.386 nan 8.270 nan 0.000 0.517 905 P HA -0.025 nan 4.420 nan 0.000 0.270 905 P C -0.448 176.900 177.300 0.081 0.000 1.223 905 P CA -0.204 62.894 63.100 -0.004 0.000 0.785 905 P CB 0.597 32.220 31.700 -0.128 0.000 0.923 906 S N 0.808 116.585 115.700 0.129 0.000 2.596 906 S HA 0.095 4.565 4.470 -0.001 0.000 0.260 906 S C 1.026 175.709 174.600 0.140 0.000 1.336 906 S CA -0.222 58.050 58.200 0.120 0.000 0.993 906 S CB 0.326 63.596 63.200 0.117 0.000 0.923 906 S HN 0.308 nan 8.310 nan 0.000 0.567 907 K N 0.091 120.553 120.400 0.104 0.000 2.280 907 K HA 0.045 4.364 4.320 -0.001 0.000 0.202 907 K C 1.370 178.026 176.600 0.094 0.000 1.047 907 K CA 1.085 57.430 56.287 0.097 0.000 0.942 907 K CB -0.565 31.975 32.500 0.067 0.000 0.739 907 K HN 0.535 nan 8.250 nan 0.000 0.457 908 L N -0.007 121.274 121.223 0.096 0.000 2.592 908 L HA 0.059 4.399 4.340 -0.001 0.000 0.227 908 L C 0.933 177.854 176.870 0.085 0.000 1.127 908 L CA -0.254 54.627 54.840 0.068 0.000 0.884 908 L CB -0.175 41.909 42.059 0.042 0.000 1.065 908 L HN 0.226 nan 8.230 nan 0.000 0.457 909 H N 2.218 121.327 119.070 0.065 0.000 2.722 909 H HA 0.108 4.664 4.556 -0.001 0.000 0.328 909 H C -1.780 173.591 175.328 0.073 0.000 1.067 909 H CA -1.473 54.627 56.048 0.087 0.000 1.447 909 H CB 1.841 31.682 29.762 0.132 0.000 1.469 909 H HN -0.102 nan 8.280 nan 0.000 0.544 910 P HA 0.106 nan 4.420 nan 0.000 0.241 910 P C -0.430 176.985 177.300 0.193 0.000 1.191 910 P CA 0.338 63.485 63.100 0.077 0.000 0.771 910 P CB 0.520 32.193 31.700 -0.045 0.000 0.929 911 A N -0.440 122.668 122.820 0.480 0.000 2.313 911 A HA 0.772 5.091 4.320 -0.001 0.000 0.323 911 A C 0.203 177.851 177.584 0.107 0.000 1.133 911 A CA -0.326 51.856 52.037 0.242 0.000 0.847 911 A CB 1.050 20.182 19.000 0.220 0.000 1.308 911 A HN 0.139 nan 8.150 nan 0.000 0.475 912 G N -1.502 107.217 108.800 -0.135 0.000 2.642 912 G HA2 0.624 4.583 3.960 -0.001 0.000 0.293 912 G HA3 0.624 4.583 3.960 -0.001 0.000 0.293 912 G C -1.842 172.706 174.900 -0.588 0.000 1.341 912 G CA -0.373 44.592 45.100 -0.224 0.000 0.916 912 G HN 0.539 nan 8.290 nan 0.000 0.474 913 Y N -0.546 119.705 120.300 -0.082 0.000 2.524 913 Y HA 0.508 5.057 4.550 -0.001 0.000 0.347 913 Y C 0.427 176.078 175.900 -0.415 0.000 1.005 913 Y CA -0.933 57.056 58.100 -0.185 0.000 1.025 913 Y CB 2.130 40.479 38.460 -0.186 0.000 1.275 913 Y HN 0.342 nan 8.280 nan 0.000 0.460 914 L N 1.978 123.030 121.223 -0.284 0.000 2.466 914 L HA 0.397 4.736 4.340 -0.001 0.000 0.257 914 L C 0.635 177.356 176.870 -0.248 0.000 1.189 914 L CA -0.510 54.086 54.840 -0.407 0.000 0.813 914 L CB 0.812 42.707 42.059 -0.273 0.000 1.118 914 L HN 0.775 nan 8.230 nan 0.000 0.471 915 T N -2.935 111.469 114.554 -0.251 0.000 2.881 915 T HA 0.097 4.446 4.350 -0.001 0.000 0.278 915 T C 1.069 175.722 174.700 -0.078 0.000 0.982 915 T CA -0.196 61.804 62.100 -0.166 0.000 0.989 915 T CB 1.600 70.364 68.868 -0.173 0.000 1.058 915 T HN 0.603 nan 8.240 nan 0.000 0.529 916 S N 0.579 116.247 115.700 -0.054 0.000 2.359 916 S HA -0.162 4.307 4.470 -0.001 0.000 0.224 916 S C 2.355 176.975 174.600 0.033 0.000 1.035 916 S CA 1.570 59.773 58.200 0.005 0.000 1.018 916 S CB -1.255 61.935 63.200 -0.016 0.000 0.876 916 S HN 0.930 nan 8.310 nan 0.000 0.448 917 A N 1.291 124.106 122.820 -0.009 0.000 1.902 917 A HA 0.195 4.514 4.320 -0.001 0.000 0.217 917 A C 2.494 180.079 177.584 0.002 0.000 1.181 917 A CA 1.962 53.996 52.037 -0.004 0.000 0.623 917 A CB -1.391 17.595 19.000 -0.023 0.000 0.818 917 A HN 0.845 nan 8.150 nan 0.000 0.443 918 A N -1.432 121.375 122.820 -0.021 0.000 1.930 918 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 918 A C 2.123 179.738 177.584 0.051 0.000 1.175 918 A CA 1.606 53.632 52.037 -0.018 0.000 0.627 918 A CB -0.911 18.020 19.000 -0.116 0.000 0.815 918 A HN 0.779 nan 8.150 nan 0.000 0.443 919 H N 0.012 119.073 119.070 -0.014 0.000 2.326 919 H HA -0.044 4.511 4.556 -0.001 0.000 0.301 919 H C 1.820 177.192 175.328 0.074 0.000 1.081 919 H CA 1.809 57.886 56.048 0.048 0.000 1.334 919 H CB -0.040 29.746 29.762 0.039 0.000 1.385 919 H HN 0.432 nan 8.280 nan 0.000 0.504 920 K N 0.198 120.575 120.400 -0.038 0.000 2.097 920 K HA -0.062 4.258 4.320 -0.001 0.000 0.206 920 K C 2.365 178.940 176.600 -0.043 0.000 1.049 920 K CA 0.819 57.065 56.287 -0.067 0.000 0.933 920 K CB -0.016 32.493 32.500 0.015 0.000 0.717 920 K HN 0.265 nan 8.250 nan 0.000 0.442 921 A N 0.828 123.644 122.820 -0.007 0.000 1.930 921 A HA -0.172 4.147 4.320 -0.001 0.000 0.217 921 A C 2.197 179.791 177.584 0.017 0.000 1.175 921 A CA 1.966 54.013 52.037 0.016 0.000 0.627 921 A CB -0.578 18.445 19.000 0.038 0.000 0.815 921 A HN 0.275 nan 8.150 nan 0.000 0.443 922 S N -0.642 115.068 115.700 0.017 0.000 2.368 922 S HA -0.224 4.246 4.470 -0.001 0.000 0.225 922 S C 2.125 176.720 174.600 -0.008 0.000 1.030 922 S CA 1.657 59.884 58.200 0.044 0.000 0.999 922 S CB -0.401 62.865 63.200 0.112 0.000 0.844 922 S HN 0.676 nan 8.310 nan 0.000 0.459 923 Q N 0.662 120.411 119.800 -0.084 0.000 2.170 923 Q HA -0.086 4.254 4.340 -0.001 0.000 0.203 923 Q C 2.475 178.443 176.000 -0.054 0.000 0.976 923 Q CA 1.637 57.396 55.803 -0.074 0.000 0.858 923 Q CB -0.308 28.366 28.738 -0.106 0.000 0.907 923 Q HN 0.810 nan 8.270 nan 0.000 0.433 924 S N 0.166 115.842 115.700 -0.039 0.000 2.423 924 S HA -0.076 4.393 4.470 -0.001 0.000 0.231 924 S C 1.826 176.389 174.600 -0.061 0.000 1.014 924 S CA 0.680 58.856 58.200 -0.041 0.000 0.965 924 S CB -0.188 63.003 63.200 -0.015 0.000 0.785 924 S HN 0.279 nan 8.310 nan 0.000 0.495 925 L N 0.003 121.199 121.223 -0.046 0.000 2.145 925 L HA 0.243 4.582 4.340 -0.001 0.000 0.201 925 L C 2.524 179.340 176.870 -0.090 0.000 1.075 925 L CA 0.641 55.449 54.840 -0.054 0.000 0.773 925 L CB -0.387 41.660 42.059 -0.021 0.000 0.936 925 L HN 0.269 nan 8.230 nan 0.000 0.451 926 L N -0.988 120.189 121.223 -0.077 0.000 2.162 926 L HA -0.005 4.334 4.340 -0.001 0.000 0.205 926 L C 0.190 176.954 176.870 -0.176 0.000 1.086 926 L CA 0.895 55.676 54.840 -0.097 0.000 0.778 926 L CB 0.033 42.063 42.059 -0.049 0.000 0.928 926 L HN 0.230 nan 8.230 nan 0.000 0.446 927 D N 0.200 120.483 120.400 -0.196 0.000 2.613 927 D HA 0.230 4.869 4.640 -0.001 0.000 0.312 927 D C -2.326 173.780 176.300 -0.325 0.000 1.202 927 D CA -0.947 52.870 54.000 -0.306 0.000 0.825 927 D CB 1.338 42.155 40.800 0.028 0.000 1.113 927 D HN 0.073 nan 8.370 nan 0.000 0.502 928 P HA 0.145 nan 4.420 nan 0.000 0.275 928 P C 0.485 177.676 177.300 -0.181 0.000 1.266 928 P CA -0.513 62.443 63.100 -0.241 0.000 0.793 928 P CB 1.590 33.159 31.700 -0.219 0.000 1.074 929 L N 0.525 121.689 121.223 -0.097 0.000 2.461 929 L HA 0.146 4.485 4.340 -0.001 0.000 0.272 929 L C 0.882 177.744 176.870 -0.012 0.000 1.197 929 L CA 0.226 55.050 54.840 -0.027 0.000 0.836 929 L CB -0.201 41.850 42.059 -0.013 0.000 1.105 929 L HN 0.272 nan 8.230 nan 0.000 0.477 930 D N 2.607 123.065 120.400 0.097 0.000 2.175 930 D HA 0.337 4.976 4.640 -0.001 0.000 0.248 930 D C -0.427 175.863 176.300 -0.017 0.000 1.047 930 D CA -0.340 53.659 54.000 -0.001 0.000 0.883 930 D CB 1.757 42.613 40.800 0.094 0.000 1.180 930 D HN 0.354 nan 8.370 nan 0.000 0.438 931 K N 1.429 121.687 120.400 -0.237 0.000 2.292 931 K HA 0.475 4.795 4.320 -0.001 0.000 0.257 931 K C -0.984 175.511 176.600 -0.175 0.000 0.940 931 K CA -0.653 55.622 56.287 -0.020 0.000 0.811 931 K CB 1.569 34.019 32.500 -0.084 0.000 1.120 931 K HN 0.216 nan 8.250 nan 0.000 0.428 932 F N 2.546 122.675 119.950 0.299 0.000 2.520 932 F HA 0.495 5.021 4.527 -0.001 0.000 0.322 932 F C 0.025 176.117 175.800 0.487 0.000 1.103 932 F CA -0.912 57.266 58.000 0.297 0.000 0.926 932 F CB 1.254 40.259 39.000 0.009 0.000 1.154 932 F HN 0.200 nan 8.300 nan 0.000 0.453 933 I N 3.486 124.437 120.570 0.634 0.000 2.362 933 I HA 0.213 4.382 4.170 -0.001 0.000 0.289 933 I C -0.571 175.813 176.117 0.445 0.000 0.994 933 I CA -0.827 60.764 61.300 0.486 0.000 1.158 933 I CB 1.198 39.385 38.000 0.312 0.000 1.315 933 I HN 0.433 nan 8.210 nan 0.000 0.451 934 F N 5.795 125.871 119.950 0.211 0.000 2.578 934 F HA 0.168 4.694 4.527 -0.001 0.000 0.381 934 F C 1.234 176.933 175.800 -0.168 0.000 1.069 934 F CA 0.137 57.957 58.000 -0.299 0.000 1.231 934 F CB 1.124 39.990 39.000 -0.223 0.000 1.086 934 F HN 0.623 nan 8.300 nan 0.000 0.564 935 A N 4.661 126.958 122.820 -0.872 0.000 1.872 935 A HA -0.037 4.282 4.320 -0.001 0.000 0.214 935 A C 1.058 178.372 177.584 -0.451 0.000 1.187 935 A CA 0.758 52.458 52.037 -0.562 0.000 0.614 935 A CB -0.638 17.993 19.000 -0.616 0.000 0.826 935 A HN 0.795 nan 8.150 nan 0.000 0.442 936 E N -0.212 119.552 120.200 -0.727 0.000 2.397 936 E HA 0.090 4.439 4.350 -0.001 0.000 0.254 936 E C 0.371 177.062 176.600 0.152 0.000 1.231 936 E CA -0.366 55.920 56.400 -0.190 0.000 0.954 936 E CB 0.221 29.877 29.700 -0.073 0.000 1.024 936 E HN 0.321 nan 8.360 nan 0.000 0.481 937 N N 0.697 119.504 118.700 0.179 0.000 2.216 937 N HA -0.102 4.637 4.740 -0.001 0.000 0.183 937 N C -0.096 175.564 175.510 0.251 0.000 1.017 937 N CA 0.980 54.148 53.050 0.195 0.000 0.861 937 N CB 0.177 38.737 38.487 0.122 0.000 0.986 937 N HN 0.475 nan 8.380 nan 0.000 0.428 938 E N -0.706 119.671 120.200 0.294 0.000 2.272 938 E HA 0.123 4.473 4.350 -0.001 0.000 0.269 938 E C -1.549 175.188 176.600 0.228 0.000 0.877 938 E CA -0.722 55.788 56.400 0.184 0.000 0.755 938 E CB 1.339 31.104 29.700 0.109 0.000 1.192 938 E HN -0.014 nan 8.360 nan 0.000 0.422 939 W N 7.989 129.015 121.300 -0.457 0.000 2.298 939 W HA 0.405 5.064 4.660 -0.001 0.000 0.327 939 W C -1.296 175.047 176.519 -0.294 0.000 0.988 939 W CA -1.508 55.426 57.345 -0.684 0.000 1.448 939 W CB -0.098 28.418 29.460 -1.573 0.000 1.243 939 W HN 0.468 nan 8.180 nan 0.000 0.388 940 I N 5.835 126.526 120.570 0.201 0.000 2.556 940 I HA 0.207 4.377 4.170 -0.001 0.000 0.284 940 I C 1.515 177.626 176.117 -0.010 0.000 1.114 940 I CA 1.108 62.441 61.300 0.056 0.000 1.418 940 I CB 0.456 38.516 38.000 0.099 0.000 1.394 940 I HN 0.777 nan 8.210 nan 0.000 0.552 941 G N 4.351 113.060 108.800 -0.151 0.000 2.148 941 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.254 941 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.254 941 G C 0.419 175.072 174.900 -0.411 0.000 0.981 941 G CA -0.025 44.961 45.100 -0.191 0.000 0.670 941 G HN 1.006 nan 8.290 nan 0.000 0.528 942 A N -0.471 121.858 122.820 -0.818 0.000 2.531 942 A HA 0.558 4.878 4.320 -0.001 0.000 0.236 942 A C 0.579 177.731 177.584 -0.721 0.000 1.062 942 A CA 0.769 51.948 52.037 -1.431 0.000 0.760 942 A CB 0.258 18.108 19.000 -1.917 0.000 0.995 942 A HN 0.634 nan 8.150 nan 0.000 0.501 943 Q N 0.653 120.092 119.800 -0.601 0.000 2.348 943 Q HA 0.512 4.852 4.340 -0.001 0.000 0.271 943 Q C 0.997 176.860 176.000 -0.228 0.000 1.067 943 Q CA -0.212 55.413 55.803 -0.297 0.000 0.839 943 Q CB 1.972 30.605 28.738 -0.174 0.000 1.354 943 Q HN 0.814 nan 8.270 nan 0.000 0.447 944 G N 0.378 109.085 108.800 -0.156 0.000 2.777 944 G HA2 -0.052 3.907 3.960 -0.001 0.000 0.211 944 G HA3 -0.052 3.907 3.960 -0.001 0.000 0.211 944 G C 0.202 175.062 174.900 -0.066 0.000 1.149 944 G CA 0.550 45.576 45.100 -0.124 0.000 0.785 944 G HN 0.473 nan 8.290 nan 0.000 0.536 945 Q N -1.416 118.364 119.800 -0.033 0.000 2.527 945 Q HA 0.518 4.858 4.340 -0.001 0.000 0.280 945 Q C -2.417 173.601 176.000 0.030 0.000 0.977 945 Q CA -0.940 54.862 55.803 -0.001 0.000 0.837 945 Q CB 1.875 30.598 28.738 -0.024 0.000 1.454 945 Q HN 0.021 nan 8.270 nan 0.000 0.387 946 F N 1.245 121.092 119.950 -0.171 0.000 2.569 946 F HA 0.642 5.169 4.527 -0.001 0.000 0.312 946 F C 0.461 175.997 175.800 -0.440 0.000 1.109 946 F CA 0.435 58.269 58.000 -0.277 0.000 0.919 946 F CB 2.125 40.974 39.000 -0.251 0.000 1.211 946 F HN 0.705 nan 8.300 nan 0.000 0.446 947 G N 3.014 110.788 108.800 -1.710 0.000 2.141 947 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.242 947 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.242 947 G C 1.034 175.256 174.900 -1.129 0.000 0.982 947 G CA 0.320 44.155 45.100 -2.107 0.000 0.662 947 G HN 1.610 nan 8.290 nan 0.000 0.527 948 G N 1.056 109.484 108.800 -0.619 0.000 2.479 948 G HA2 0.009 3.968 3.960 -0.001 0.000 0.220 948 G HA3 0.009 3.968 3.960 -0.001 0.000 0.220 948 G C 1.246 176.082 174.900 -0.105 0.000 1.115 948 G CA 1.710 46.680 45.100 -0.216 0.000 0.757 948 G HN 0.833 nan 8.290 nan 0.000 0.560 949 D N -0.689 119.566 120.400 -0.243 0.000 2.349 949 D HA 0.009 4.649 4.640 -0.001 0.000 0.214 949 D C -0.051 176.250 176.300 0.003 0.000 1.063 949 D CA -0.432 53.521 54.000 -0.079 0.000 0.847 949 D CB -0.403 40.355 40.800 -0.070 0.000 0.933 949 D HN 0.159 nan 8.370 nan 0.000 0.513 950 H N 1.846 120.803 119.070 -0.188 0.000 2.764 950 H HA 0.321 4.877 4.556 -0.001 0.000 0.341 950 H C -1.983 173.304 175.328 -0.067 0.000 1.072 950 H CA -1.982 53.975 56.048 -0.153 0.000 1.444 950 H CB 0.124 29.739 29.762 -0.245 0.000 1.458 950 H HN 0.032 nan 8.280 nan 0.000 0.572 951 P HA -0.007 nan 4.420 nan 0.000 0.268 951 P C -0.211 177.145 177.300 0.094 0.000 1.205 951 P CA -0.023 63.128 63.100 0.085 0.000 0.771 951 P CB 0.705 32.434 31.700 0.048 0.000 0.858 952 S N 2.423 118.209 115.700 0.144 0.000 2.464 952 S HA 0.553 5.022 4.470 -0.001 0.000 0.313 952 S C 0.099 174.795 174.600 0.160 0.000 1.078 952 S CA -0.599 57.715 58.200 0.190 0.000 1.096 952 S CB -0.768 62.642 63.200 0.350 0.000 1.032 952 S HN 0.495 nan 8.310 nan 0.000 0.498 953 A N 4.242 127.152 122.820 0.150 0.000 2.406 953 A HA 0.441 4.760 4.320 -0.001 0.000 0.243 953 A C 0.583 178.241 177.584 0.123 0.000 1.082 953 A CA -0.427 51.685 52.037 0.124 0.000 0.786 953 A CB 0.131 19.202 19.000 0.119 0.000 1.029 953 A HN 0.909 nan 8.150 nan 0.000 0.495 954 R N 0.181 120.728 120.500 0.077 0.000 2.638 954 R HA -0.025 4.315 4.340 -0.001 0.000 0.268 954 R C 1.540 177.864 176.300 0.039 0.000 1.006 954 R CA 0.951 57.077 56.100 0.043 0.000 1.088 954 R CB 0.321 30.632 30.300 0.019 0.000 0.950 954 R HN 0.922 nan 8.270 nan 0.000 0.419 955 E N 2.116 122.303 120.200 -0.021 0.000 2.219 955 E HA -0.272 4.078 4.350 -0.001 0.000 0.198 955 E C 0.250 176.884 176.600 0.057 0.000 0.998 955 E CA 1.756 58.122 56.400 -0.056 0.000 0.818 955 E CB -0.117 29.533 29.700 -0.083 0.000 0.741 955 E HN 0.798 nan 8.360 nan 0.000 0.477 956 D N 0.530 120.924 120.400 -0.010 0.000 2.340 956 D HA 0.017 4.656 4.640 -0.001 0.000 0.220 956 D C 0.309 176.604 176.300 -0.008 0.000 1.039 956 D CA -0.166 53.780 54.000 -0.090 0.000 0.866 956 D CB -0.019 40.678 40.800 -0.172 0.000 0.913 956 D HN 0.188 nan 8.370 nan 0.000 0.523 957 L N 0.687 121.959 121.223 0.082 0.000 2.317 957 L HA 0.567 4.906 4.340 -0.001 0.000 0.281 957 L C -1.243 175.759 176.870 0.220 0.000 1.024 957 L CA -0.464 54.445 54.840 0.114 0.000 0.810 957 L CB 1.792 43.905 42.059 0.090 0.000 1.240 957 L HN -0.196 nan 8.230 nan 0.000 0.427 958 D N 2.320 122.870 120.400 0.251 0.000 2.732 958 D HA 0.381 5.020 4.640 -0.001 0.000 0.229 958 D C -1.453 175.014 176.300 0.278 0.000 1.152 958 D CA -0.271 53.901 54.000 0.287 0.000 0.854 958 D CB 2.411 43.427 40.800 0.361 0.000 1.590 958 D HN 0.235 nan 8.370 nan 0.000 0.468 959 V N 3.481 123.537 119.914 0.236 0.000 2.258 959 V HA 0.142 4.261 4.120 -0.001 0.000 0.258 959 V C 1.264 177.499 176.094 0.236 0.000 1.121 959 V CA -0.059 62.391 62.300 0.250 0.000 0.942 959 V CB 0.442 32.398 31.823 0.222 0.000 1.170 959 V HN 0.622 nan 8.190 nan 0.000 0.487 960 S N 3.025 118.894 115.700 0.281 0.000 2.383 960 S HA -0.039 4.430 4.470 -0.001 0.000 0.229 960 S C 0.672 175.335 174.600 0.104 0.000 1.030 960 S CA 0.995 59.314 58.200 0.198 0.000 1.002 960 S CB 0.127 63.502 63.200 0.290 0.000 0.829 960 S HN 0.501 nan 8.310 nan 0.000 0.467 961 V N 1.235 121.249 119.914 0.168 0.000 2.808 961 V HA 0.527 4.646 4.120 -0.001 0.000 0.308 961 V C -0.820 175.350 176.094 0.127 0.000 1.099 961 V CA -0.565 61.809 62.300 0.124 0.000 0.920 961 V CB 1.950 33.864 31.823 0.152 0.000 1.014 961 V HN 0.368 nan 8.190 nan 0.000 0.425 962 M N 5.544 125.136 119.600 -0.014 0.000 2.151 962 M HA 0.665 5.144 4.480 -0.001 0.000 0.290 962 M C -1.134 174.999 176.300 -0.278 0.000 0.965 962 M CA -0.476 54.677 55.300 -0.245 0.000 0.930 962 M CB 1.407 33.867 32.600 -0.233 0.000 1.560 962 M HN 0.761 nan 8.290 nan 0.000 0.438 963 R N 4.115 124.388 120.500 -0.378 0.000 2.515 963 R HA 0.441 4.780 4.340 -0.001 0.000 0.291 963 R C -1.398 174.686 176.300 -0.360 0.000 1.046 963 R CA -0.687 55.244 56.100 -0.282 0.000 0.914 963 R CB 1.855 32.079 30.300 -0.126 0.000 1.191 963 R HN 0.898 nan 8.270 nan 0.000 0.435 964 R N 4.591 124.931 120.500 -0.267 0.000 2.442 964 R HA 0.127 4.467 4.340 -0.001 0.000 0.291 964 R C 0.206 176.402 176.300 -0.174 0.000 1.069 964 R CA 0.062 56.031 56.100 -0.218 0.000 1.022 964 R CB 0.597 30.825 30.300 -0.120 0.000 0.976 964 R HN 0.707 nan 8.270 nan 0.000 0.443 965 L N 3.121 124.233 121.223 -0.185 0.000 2.585 965 L HA 0.142 4.482 4.340 -0.001 0.000 0.226 965 L C 0.404 177.227 176.870 -0.077 0.000 1.113 965 L CA 0.004 54.759 54.840 -0.142 0.000 0.876 965 L CB 0.265 42.206 42.059 -0.196 0.000 1.072 965 L HN 0.707 nan 8.230 nan 0.000 0.468 966 T N -2.927 111.591 114.554 -0.059 0.000 2.908 966 T HA 0.468 4.818 4.350 -0.001 0.000 0.290 966 T C -0.263 174.433 174.700 -0.007 0.000 1.034 966 T CA -0.929 61.154 62.100 -0.028 0.000 1.010 966 T CB 2.421 71.277 68.868 -0.019 0.000 1.068 966 T HN -0.088 nan 8.240 nan 0.000 0.481 967 K N 0.816 121.217 120.400 0.003 0.000 2.098 967 K HA 0.358 4.677 4.320 -0.001 0.000 0.244 967 K C 1.696 178.313 176.600 0.028 0.000 1.014 967 K CA -0.291 56.008 56.287 0.021 0.000 0.917 967 K CB 0.758 33.268 32.500 0.017 0.000 1.072 967 K HN 0.805 nan 8.250 nan 0.000 0.477 968 S N -0.393 115.333 115.700 0.042 0.000 2.419 968 S HA -0.185 4.284 4.470 -0.001 0.000 0.235 968 S C 1.814 176.430 174.600 0.028 0.000 1.019 968 S CA 1.748 59.971 58.200 0.039 0.000 0.982 968 S CB -0.456 62.774 63.200 0.051 0.000 0.789 968 S HN 0.654 nan 8.310 nan 0.000 0.490 969 S N 1.776 117.491 115.700 0.025 0.000 2.515 969 S HA 0.389 4.858 4.470 -0.001 0.000 0.231 969 S C 0.850 175.459 174.600 0.014 0.000 0.987 969 S CA 0.126 58.338 58.200 0.020 0.000 0.936 969 S CB -0.726 62.485 63.200 0.018 0.000 0.766 969 S HN 0.829 nan 8.310 nan 0.000 0.528 970 A N 1.823 124.649 122.820 0.012 0.000 2.451 970 A HA 0.366 4.686 4.320 -0.001 0.000 0.266 970 A C 1.135 178.726 177.584 0.011 0.000 1.119 970 A CA -0.469 51.572 52.037 0.007 0.000 0.786 970 A CB 0.159 19.160 19.000 0.002 0.000 1.061 970 A HN 0.447 nan 8.150 nan 0.000 0.503 971 K N 1.179 121.584 120.400 0.009 0.000 2.063 971 K HA -0.085 4.235 4.320 -0.001 0.000 0.208 971 K C 0.148 176.757 176.600 0.016 0.000 1.048 971 K CA 1.601 57.895 56.287 0.012 0.000 0.928 971 K CB -0.070 32.434 32.500 0.007 0.000 0.713 971 K HN 0.680 nan 8.250 nan 0.000 0.442 972 T N 2.378 116.938 114.554 0.011 0.000 2.781 972 T HA 0.163 4.513 4.350 -0.001 0.000 0.305 972 T C -0.457 174.255 174.700 0.021 0.000 1.001 972 T CA -0.607 61.502 62.100 0.014 0.000 0.950 972 T CB 1.262 70.130 68.868 -0.001 0.000 0.955 972 T HN -0.015 nan 8.240 nan 0.000 0.471 973 Q N 2.769 122.599 119.800 0.050 0.000 2.340 973 Q HA 0.386 4.726 4.340 -0.001 0.000 0.249 973 Q C 0.108 176.156 176.000 0.080 0.000 0.957 973 Q CA 0.079 55.917 55.803 0.058 0.000 0.882 973 Q CB 1.287 30.066 28.738 0.069 0.000 1.235 973 Q HN 0.544 nan 8.270 nan 0.000 0.439 974 R N 0.429 120.946 120.500 0.028 0.000 2.561 974 R HA 0.652 4.991 4.340 -0.001 0.000 0.297 974 R C -1.069 175.186 176.300 -0.075 0.000 0.969 974 R CA -0.674 55.423 56.100 -0.006 0.000 0.879 974 R CB 1.826 32.092 30.300 -0.057 0.000 1.178 974 R HN 0.252 nan 8.270 nan 0.000 0.445 975 V N 1.614 121.479 119.914 -0.081 0.000 2.531 975 V HA 0.579 4.698 4.120 -0.001 0.000 0.301 975 V C 0.186 176.017 176.094 -0.439 0.000 1.034 975 V CA -0.821 61.309 62.300 -0.282 0.000 0.865 975 V CB 2.018 33.691 31.823 -0.250 0.000 0.995 975 V HN 0.951 nan 8.190 nan 0.000 0.424 976 G N 3.075 111.419 108.800 -0.760 0.000 2.389 976 G HA2 0.674 4.634 3.960 -0.001 0.000 0.328 976 G HA3 0.674 4.634 3.960 -0.001 0.000 0.328 976 G C -1.673 172.823 174.900 -0.673 0.000 1.133 976 G CA -0.301 44.201 45.100 -0.997 0.000 0.891 976 G HN 0.498 nan 8.290 nan 0.000 0.485 977 Y N 0.116 120.496 120.300 0.134 0.000 2.442 977 Y HA 0.482 5.031 4.550 -0.001 0.000 0.344 977 Y C -0.192 175.981 175.900 0.456 0.000 0.976 977 Y CA -0.917 57.359 58.100 0.293 0.000 1.040 977 Y CB 2.776 41.367 38.460 0.217 0.000 1.228 977 Y HN 0.347 nan 8.280 nan 0.000 0.451 978 V N 5.001 125.219 119.914 0.506 0.000 2.357 978 V HA 0.356 4.476 4.120 -0.001 0.000 0.284 978 V C -0.700 175.626 176.094 0.387 0.000 1.018 978 V CA -0.719 61.803 62.300 0.370 0.000 0.841 978 V CB 1.390 33.380 31.823 0.279 0.000 0.991 978 V HN 0.534 nan 8.190 nan 0.000 0.437 979 L N 5.353 126.792 121.223 0.360 0.000 2.287 979 L HA 0.546 4.885 4.340 -0.001 0.000 0.287 979 L C -0.304 176.767 176.870 0.335 0.000 1.022 979 L CA -0.157 54.888 54.840 0.342 0.000 0.814 979 L CB 1.321 43.584 42.059 0.340 0.000 1.217 979 L HN 0.691 nan 8.230 nan 0.000 0.420 980 H N 4.784 124.011 119.070 0.262 0.000 2.529 980 H HA 0.391 4.947 4.556 -0.001 0.000 0.348 980 H C -1.127 174.294 175.328 0.155 0.000 1.079 980 H CA -0.736 55.437 56.048 0.208 0.000 1.198 980 H CB 2.152 32.100 29.762 0.310 0.000 1.521 980 H HN 0.587 nan 8.280 nan 0.000 0.514 981 R N 3.962 124.098 120.500 -0.606 0.000 2.393 981 R HA 0.226 4.566 4.340 -0.001 0.000 0.315 981 R C -0.458 175.424 176.300 -0.697 0.000 0.952 981 R CA -0.402 55.436 56.100 -0.437 0.000 0.842 981 R CB 1.651 31.821 30.300 -0.216 0.000 1.163 981 R HN 0.666 nan 8.270 nan 0.000 0.450 982 T N 1.554 115.851 114.554 -0.429 0.000 2.833 982 T HA 0.221 4.570 4.350 -0.001 0.000 0.292 982 T C -0.574 173.960 174.700 -0.277 0.000 1.031 982 T CA -0.483 61.460 62.100 -0.262 0.000 0.937 982 T CB 0.617 69.428 68.868 -0.095 0.000 1.256 982 T HN 0.676 nan 8.240 nan 0.000 0.551 983 N N 0.598 119.164 118.700 -0.223 0.000 2.461 983 N HA 0.455 5.195 4.740 -0.001 0.000 0.284 983 N C -1.496 173.869 175.510 -0.242 0.000 1.049 983 N CA -0.469 52.395 53.050 -0.311 0.000 0.889 983 N CB 0.629 38.783 38.487 -0.556 0.000 1.365 983 N HN 0.468 nan 8.380 nan 0.000 0.499 984 L N 2.772 123.845 121.223 -0.250 0.000 2.325 984 L HA 0.540 4.880 4.340 -0.001 0.000 0.278 984 L C 0.519 177.271 176.870 -0.197 0.000 1.023 984 L CA -0.920 53.804 54.840 -0.193 0.000 0.811 984 L CB 1.587 43.541 42.059 -0.176 0.000 1.249 984 L HN 0.380 nan 8.230 nan 0.000 0.431 985 M N 2.836 122.338 119.600 -0.164 0.000 2.245 985 M HA 0.100 4.580 4.480 -0.001 0.000 0.344 985 M C 0.006 176.225 176.300 -0.136 0.000 1.170 985 M CA 0.074 55.280 55.300 -0.158 0.000 1.135 985 M CB 0.606 33.120 32.600 -0.143 0.000 1.574 985 M HN 0.550 nan 8.290 nan 0.000 0.452 986 Q N 2.269 121.993 119.800 -0.127 0.000 2.322 986 Q HA 0.304 4.644 4.340 -0.001 0.000 0.256 986 Q C -0.599 175.348 176.000 -0.088 0.000 0.960 986 Q CA -0.514 55.228 55.803 -0.102 0.000 0.934 986 Q CB 0.641 29.321 28.738 -0.097 0.000 1.200 986 Q HN 0.734 nan 8.270 nan 0.000 0.435 987 c N 2.266 120.818 118.600 -0.080 0.000 2.976 987 c HA 0.524 5.094 4.570 -0.001 0.000 0.274 987 c C 1.292 175.347 174.090 -0.058 0.000 1.487 987 c CA 0.027 56.313 56.329 -0.071 0.000 1.789 987 c CB -0.613 41.851 42.510 -0.077 0.000 2.771 987 c HN 1.143 nan 8.230 nan 0.000 0.551 988 G N 1.216 109.982 108.800 -0.056 0.000 2.159 988 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.227 988 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.227 988 G C -0.018 174.853 174.900 -0.048 0.000 0.986 988 G CA 0.254 45.325 45.100 -0.049 0.000 0.651 988 G HN 0.434 nan 8.290 nan 0.000 0.523 989 T N 2.018 116.542 114.554 -0.051 0.000 2.728 989 T HA 0.473 4.822 4.350 -0.001 0.000 0.296 989 T C -0.479 174.190 174.700 -0.052 0.000 0.940 989 T CA -0.568 61.503 62.100 -0.048 0.000 1.013 989 T CB 1.895 70.736 68.868 -0.045 0.000 0.912 989 T HN -0.009 nan 8.240 nan 0.000 0.484 990 P HA -0.183 nan 4.420 nan 0.000 0.216 990 P C -0.156 177.103 177.300 -0.069 0.000 1.167 990 P CA 0.938 63.998 63.100 -0.067 0.000 0.914 990 P CB -0.069 31.583 31.700 -0.080 0.000 0.793 991 E N -0.603 119.558 120.200 -0.065 0.000 2.966 991 E HA -0.206 4.144 4.350 -0.001 0.000 0.153 991 E C -0.133 176.437 176.600 -0.050 0.000 1.949 991 E CA 0.402 56.776 56.400 -0.042 0.000 0.672 991 E CB -1.037 28.643 29.700 -0.033 0.000 1.072 991 E HN 0.473 nan 8.360 nan 0.000 0.344 992 E N 0.663 120.806 120.200 -0.096 0.000 2.698 992 E HA 0.255 4.605 4.350 -0.001 0.000 0.185 992 E C -0.429 176.236 176.600 0.107 0.000 0.702 992 E CA -0.709 55.630 56.400 -0.100 0.000 1.104 992 E CB 0.295 29.849 29.700 -0.245 0.000 1.831 992 E HN 0.649 nan 8.360 nan 0.000 0.370 993 H N 0.406 119.470 119.070 -0.010 0.000 1.768 993 H HA -0.154 4.401 4.556 -0.001 0.000 0.305 993 H C -1.121 174.215 175.328 0.013 0.000 0.768 993 H CA 0.166 56.213 56.048 -0.002 0.000 1.023 993 H CB -1.702 28.055 29.762 -0.009 0.000 1.484 993 H HN 0.357 nan 8.280 nan 0.000 0.250 994 T N 1.239 115.880 114.554 0.145 0.000 2.933 994 T HA 0.437 4.786 4.350 -0.001 0.000 0.305 994 T C -0.506 174.235 174.700 0.069 0.000 1.092 994 T CA -1.227 60.929 62.100 0.095 0.000 1.008 994 T CB 2.734 71.652 68.868 0.084 0.000 1.102 994 T HN 0.665 nan 8.240 nan 0.000 0.469 995 Q N 1.441 121.282 119.800 0.068 0.000 2.227 995 Q HA 0.470 4.810 4.340 -0.001 0.000 0.245 995 Q C -0.278 175.744 176.000 0.036 0.000 0.926 995 Q CA -1.266 54.566 55.803 0.049 0.000 0.895 995 Q CB 1.106 29.877 28.738 0.055 0.000 1.230 995 Q HN 0.368 nan 8.270 nan 0.000 0.450 996 K N 1.564 121.973 120.400 0.015 0.000 2.350 996 K HA 0.144 4.463 4.320 -0.001 0.000 0.279 996 K C -0.634 175.963 176.600 -0.006 0.000 1.027 996 K CA -0.321 55.966 56.287 -0.000 0.000 0.969 996 K CB 0.348 32.837 32.500 -0.018 0.000 0.954 996 K HN 0.389 nan 8.250 nan 0.000 0.474 997 L N 3.349 124.567 121.223 -0.009 0.000 2.262 997 L HA 0.225 4.564 4.340 -0.001 0.000 0.288 997 L C -0.621 176.207 176.870 -0.071 0.000 1.035 997 L CA -0.147 54.679 54.840 -0.024 0.000 0.820 997 L CB 0.819 42.878 42.059 0.001 0.000 1.204 997 L HN 0.414 nan 8.230 nan 0.000 0.424 998 D N 3.613 123.962 120.400 -0.086 0.000 2.477 998 D HA 0.137 4.776 4.640 -0.001 0.000 0.239 998 D C 1.138 177.338 176.300 -0.168 0.000 1.102 998 D CA -0.243 53.684 54.000 -0.122 0.000 0.901 998 D CB 1.151 41.916 40.800 -0.058 0.000 1.026 998 D HN 0.386 nan 8.370 nan 0.000 0.515 999 V N 1.253 120.973 119.914 -0.322 0.000 2.568 999 V HA -0.204 3.916 4.120 -0.001 0.000 0.253 999 V C 2.160 177.923 176.094 -0.552 0.000 1.072 999 V CA 1.114 63.044 62.300 -0.616 0.000 1.084 999 V CB -1.111 30.099 31.823 -1.021 0.000 0.676 999 V HN 0.586 nan 8.190 nan 0.000 0.469 1000 c N 0.458 118.880 118.600 -0.298 0.000 2.449 1000 c HA 0.026 4.596 4.570 -0.001 0.000 0.283 1000 c C 2.044 176.041 174.090 -0.155 0.000 1.453 1000 c CA 1.243 57.475 56.329 -0.161 0.000 1.779 1000 c CB -1.811 40.603 42.510 -0.160 0.000 1.779 1000 c HN 0.782 nan 8.230 nan 0.000 0.546 1001 H N -1.166 117.871 119.070 -0.054 0.000 2.528 1001 H HA 0.275 4.830 4.556 -0.001 0.000 0.282 1001 H C 1.648 177.001 175.328 0.041 0.000 1.097 1001 H CA -0.040 56.019 56.048 0.019 0.000 1.121 1001 H CB 0.077 29.833 29.762 -0.010 0.000 1.590 1001 H HN 0.327 nan 8.280 nan 0.000 0.553 1002 L N -0.131 121.145 121.223 0.088 0.000 2.201 1002 L HA 0.001 4.340 4.340 -0.001 0.000 0.212 1002 L C 0.148 177.156 176.870 0.229 0.000 1.105 1002 L CA 0.923 55.841 54.840 0.130 0.000 0.775 1002 L CB 0.147 42.255 42.059 0.080 0.000 0.913 1002 L HN 0.211 nan 8.230 nan 0.000 0.440 1003 L N 0.137 121.450 121.223 0.150 0.000 2.334 1003 L HA 0.407 4.746 4.340 -0.001 0.000 0.276 1003 L C -2.092 174.803 176.870 0.042 0.000 1.014 1003 L CA -1.990 52.864 54.840 0.023 0.000 0.815 1003 L CB 1.791 43.642 42.059 -0.348 0.000 1.268 1003 L HN -0.199 nan 8.230 nan 0.000 0.428 1004 P HA 0.104 nan 4.420 nan 0.000 0.274 1004 P C -0.855 176.538 177.300 0.157 0.000 1.256 1004 P CA -0.215 62.940 63.100 0.091 0.000 0.795 1004 P CB 0.437 32.173 31.700 0.060 0.000 1.038 1005 N N -3.026 115.756 118.700 0.137 0.000 2.758 1005 N HA -0.148 4.591 4.740 -0.001 0.000 0.248 1005 N C -0.034 175.566 175.510 0.150 0.000 1.076 1005 N CA -0.059 53.068 53.050 0.128 0.000 0.696 1005 N CB -1.767 36.786 38.487 0.110 0.000 0.979 1005 N HN 0.264 nan 8.380 nan 0.000 0.550 1006 V N 0.219 120.172 119.914 0.065 0.000 2.521 1006 V HA 0.428 4.548 4.120 -0.001 0.000 0.286 1006 V C 1.224 177.219 176.094 -0.165 0.000 1.034 1006 V CA 0.917 63.095 62.300 -0.204 0.000 1.045 1006 V CB 1.093 32.690 31.823 -0.378 0.000 0.974 1006 V HN 0.418 nan 8.190 nan 0.000 0.480 1007 A N 7.525 130.228 122.820 -0.195 0.000 2.140 1007 A HA 0.424 4.744 4.320 -0.001 0.000 0.209 1007 A C 0.810 178.355 177.584 -0.066 0.000 1.181 1007 A CA 0.563 52.545 52.037 -0.091 0.000 0.824 1007 A CB 0.132 19.095 19.000 -0.063 0.000 0.879 1007 A HN 0.980 nan 8.150 nan 0.000 0.480 1008 R N -2.711 117.719 120.500 -0.117 0.000 2.687 1008 R HA 0.543 4.882 4.340 -0.001 0.000 0.265 1008 R C -1.806 174.444 176.300 -0.082 0.000 1.048 1008 R CA -0.487 55.593 56.100 -0.032 0.000 0.884 1008 R CB 0.327 30.678 30.300 0.086 0.000 1.258 1008 R HN 0.188 nan 8.270 nan 0.000 0.469 1009 c N 1.449 120.022 118.600 -0.046 0.000 2.431 1009 c HA 0.623 5.192 4.570 -0.001 0.000 0.321 1009 c C -1.074 173.052 174.090 0.060 0.000 1.202 1009 c CA -0.007 56.308 56.329 -0.023 0.000 1.398 1009 c CB 1.104 43.568 42.510 -0.076 0.000 2.047 1009 c HN 0.948 nan 8.230 nan 0.000 0.465 1010 E N 3.200 123.486 120.200 0.143 0.000 2.293 1010 E HA 0.434 4.784 4.350 -0.001 0.000 0.270 1010 E C -1.014 175.745 176.600 0.264 0.000 0.879 1010 E CA -0.686 55.826 56.400 0.186 0.000 0.756 1010 E CB 1.936 31.729 29.700 0.156 0.000 1.208 1010 E HN 0.634 nan 8.360 nan 0.000 0.428 1011 R N 1.662 122.297 120.500 0.225 0.000 2.357 1011 R HA 0.357 4.696 4.340 -0.001 0.000 0.296 1011 R C -0.561 175.767 176.300 0.047 0.000 1.052 1011 R CA 0.100 56.263 56.100 0.104 0.000 0.988 1011 R CB 0.805 31.143 30.300 0.062 0.000 1.025 1011 R HN 0.748 nan 8.270 nan 0.000 0.469 1012 T N -0.417 114.140 114.554 0.006 0.000 2.864 1012 T HA 0.355 4.705 4.350 -0.001 0.000 0.289 1012 T C 0.073 174.763 174.700 -0.016 0.000 1.082 1012 T CA -0.790 61.339 62.100 0.049 0.000 1.009 1012 T CB 1.367 70.338 68.868 0.172 0.000 1.234 1012 T HN 0.591 nan 8.240 nan 0.000 0.526 1013 T N 0.269 114.818 114.554 -0.008 0.000 2.802 1013 T HA 0.272 4.621 4.350 -0.001 0.000 0.305 1013 T C 1.670 176.299 174.700 -0.117 0.000 1.053 1013 T CA -0.802 61.269 62.100 -0.049 0.000 1.058 1013 T CB -0.013 68.843 68.868 -0.021 0.000 0.988 1013 T HN 0.568 nan 8.240 nan 0.000 0.539 1014 L N 1.048 122.181 121.223 -0.149 0.000 2.349 1014 L HA -0.064 4.275 4.340 -0.001 0.000 0.220 1014 L C 2.786 179.369 176.870 -0.478 0.000 1.130 1014 L CA 1.473 56.158 54.840 -0.259 0.000 0.791 1014 L CB -1.127 40.858 42.059 -0.123 0.000 0.918 1014 L HN 0.978 nan 8.230 nan 0.000 0.444 1015 T N -5.049 109.328 114.554 -0.294 0.000 3.107 1015 T HA 0.061 4.411 4.350 -0.001 0.000 0.249 1015 T C 0.857 175.461 174.700 -0.159 0.000 1.096 1015 T CA -0.204 61.752 62.100 -0.241 0.000 1.012 1015 T CB -0.253 68.599 68.868 -0.026 0.000 0.977 1015 T HN 0.328 nan 8.240 nan 0.000 0.527 1016 F N -0.666 119.299 119.950 0.026 0.000 2.794 1016 F HA -0.234 4.293 4.527 -0.001 0.000 0.335 1016 F C 1.160 176.964 175.800 0.007 0.000 0.653 1016 F CA 0.129 58.138 58.000 0.014 0.000 1.266 1016 F CB -2.083 36.922 39.000 0.009 0.000 1.666 1016 F HN 0.198 nan 8.300 nan 0.000 0.314 1017 L N -0.521 120.784 121.223 0.136 0.000 2.418 1017 L HA 0.031 4.370 4.340 -0.001 0.000 0.218 1017 L C 1.068 177.966 176.870 0.046 0.000 1.125 1017 L CA 1.152 56.040 54.840 0.079 0.000 0.835 1017 L CB -0.005 42.083 42.059 0.048 0.000 0.953 1017 L HN 0.321 nan 8.230 nan 0.000 0.454 1018 Q N 0.401 120.228 119.800 0.045 0.000 2.347 1018 Q HA 0.277 4.616 4.340 -0.001 0.000 0.271 1018 Q C -1.178 174.846 176.000 0.039 0.000 1.064 1018 Q CA -0.711 55.107 55.803 0.025 0.000 0.800 1018 Q CB 1.934 30.672 28.738 -0.000 0.000 1.304 1018 Q HN 0.098 nan 8.270 nan 0.000 0.438 1019 N N 4.408 123.129 118.700 0.036 0.000 2.444 1019 N HA 0.203 4.943 4.740 -0.001 0.000 0.271 1019 N C 0.285 175.817 175.510 0.036 0.000 1.069 1019 N CA 0.158 53.237 53.050 0.049 0.000 0.965 1019 N CB 1.200 39.716 38.487 0.048 0.000 1.092 1019 N HN 0.636 nan 8.380 nan 0.000 0.476 1020 L N 0.750 121.998 121.223 0.041 0.000 2.537 1020 L HA 0.280 4.620 4.340 -0.001 0.000 0.224 1020 L C 0.219 177.118 176.870 0.049 0.000 1.065 1020 L CA 0.637 55.494 54.840 0.029 0.000 0.860 1020 L CB 0.247 42.311 42.059 0.009 0.000 1.086 1020 L HN 0.396 nan 8.230 nan 0.000 0.482 1021 E N -1.265 118.983 120.200 0.079 0.000 2.352 1021 E HA 0.230 4.579 4.350 -0.001 0.000 0.280 1021 E C -1.488 175.205 176.600 0.155 0.000 0.930 1021 E CA -0.649 55.814 56.400 0.104 0.000 0.765 1021 E CB 2.264 32.020 29.700 0.093 0.000 1.219 1021 E HN -0.034 nan 8.360 nan 0.000 0.434 1022 H N 3.107 122.204 119.070 0.045 0.000 2.690 1022 H HA 0.320 4.876 4.556 -0.001 0.000 0.289 1022 H C -1.006 174.348 175.328 0.043 0.000 1.089 1022 H CA -0.343 55.729 56.048 0.039 0.000 1.299 1022 H CB 0.167 29.942 29.762 0.022 0.000 1.405 1022 H HN 0.299 nan 8.280 nan 0.000 0.463 1023 L N 4.920 126.019 121.223 -0.207 0.000 2.313 1023 L HA 0.168 4.507 4.340 -0.001 0.000 0.282 1023 L C 0.196 176.885 176.870 -0.301 0.000 1.092 1023 L CA -0.579 54.155 54.840 -0.177 0.000 0.831 1023 L CB 0.436 42.456 42.059 -0.065 0.000 1.159 1023 L HN 0.630 nan 8.230 nan 0.000 0.442 1024 D N 2.398 122.683 120.400 -0.192 0.000 2.399 1024 D HA 0.237 4.876 4.640 -0.001 0.000 0.241 1024 D C 1.182 177.427 176.300 -0.093 0.000 1.133 1024 D CA 1.148 55.060 54.000 -0.146 0.000 0.890 1024 D CB 1.261 42.020 40.800 -0.067 0.000 1.201 1024 D HN 0.783 nan 8.370 nan 0.000 0.432 1025 G N 1.998 110.761 108.800 -0.062 0.000 2.189 1025 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.267 1025 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.267 1025 G C 0.733 175.654 174.900 0.035 0.000 0.975 1025 G CA 0.435 45.528 45.100 -0.012 0.000 0.644 1025 G HN 0.630 nan 8.290 nan 0.000 0.537 1026 M N -2.319 117.260 119.600 -0.036 0.000 2.576 1026 M HA -0.189 4.291 4.480 -0.001 0.000 0.200 1026 M C 0.066 176.393 176.300 0.046 0.000 0.487 1026 M CA 0.917 56.195 55.300 -0.038 0.000 0.553 1026 M CB -1.846 30.725 32.600 -0.048 0.000 2.042 1026 M HN 0.246 nan 8.290 nan 0.000 0.758 1027 V N 0.724 120.644 119.914 0.010 0.000 2.398 1027 V HA 0.720 4.840 4.120 -0.001 0.000 0.286 1027 V C 0.619 176.630 176.094 -0.137 0.000 1.026 1027 V CA -0.328 61.967 62.300 -0.008 0.000 0.868 1027 V CB 1.782 33.585 31.823 -0.033 0.000 0.982 1027 V HN 0.377 nan 8.190 nan 0.000 0.443 1028 A N 8.335 130.996 122.820 -0.266 0.000 2.316 1028 A HA 0.683 5.003 4.320 -0.001 0.000 0.311 1028 A C -2.077 175.217 177.584 -0.484 0.000 1.339 1028 A CA -1.412 50.238 52.037 -0.644 0.000 0.960 1028 A CB 0.012 18.375 19.000 -1.061 0.000 1.152 1028 A HN 0.622 nan 8.150 nan 0.000 0.547 1029 P HA 0.139 nan 4.420 nan 0.000 0.272 1029 P C -0.264 177.013 177.300 -0.038 0.000 1.223 1029 P CA -0.102 62.936 63.100 -0.103 0.000 0.784 1029 P CB 0.827 32.522 31.700 -0.009 0.000 0.923 1030 E N -0.042 120.155 120.200 -0.004 0.000 2.392 1030 E HA 0.226 4.576 4.350 -0.001 0.000 0.256 1030 E C 0.262 176.915 176.600 0.088 0.000 1.145 1030 E CA -0.736 55.691 56.400 0.045 0.000 0.929 1030 E CB 0.470 30.181 29.700 0.018 0.000 0.998 1030 E HN 0.327 nan 8.360 nan 0.000 0.442 1031 V N -1.650 118.320 119.914 0.093 0.000 3.109 1031 V HA 0.370 4.490 4.120 -0.001 0.000 0.317 1031 V C 0.163 176.265 176.094 0.013 0.000 1.074 1031 V CA -1.081 61.263 62.300 0.072 0.000 1.033 1031 V CB 1.248 33.118 31.823 0.078 0.000 1.111 1031 V HN 0.744 nan 8.190 nan 0.000 0.458 1032 c N 1.853 120.456 118.600 0.005 0.000 2.500 1032 c HA 0.482 5.052 4.570 -0.001 0.000 0.367 1032 c C -2.131 171.912 174.090 -0.078 0.000 1.283 1032 c CA -0.407 55.908 56.329 -0.024 0.000 2.456 1032 c CB 0.137 42.650 42.510 0.006 0.000 2.457 1032 c HN 0.807 nan 8.230 nan 0.000 0.632 1033 P HA 0.076 nan 4.420 nan 0.000 0.265 1033 P C 0.212 177.368 177.300 -0.240 0.000 1.193 1033 P CA 0.851 63.826 63.100 -0.209 0.000 0.765 1033 P CB 0.196 31.754 31.700 -0.236 0.000 0.823 1034 M N -1.303 118.099 119.600 -0.330 0.000 2.943 1034 M HA -0.208 4.271 4.480 -0.001 0.000 0.198 1034 M C 0.186 176.479 176.300 -0.012 0.000 0.606 1034 M CA 1.147 56.230 55.300 -0.362 0.000 0.744 1034 M CB -2.454 29.624 32.600 -0.870 0.000 2.671 1034 M HN 0.478 nan 8.290 nan 0.000 0.342 1035 E N 0.233 120.423 120.200 -0.016 0.000 2.222 1035 E HA 0.610 4.959 4.350 -0.001 0.000 0.272 1035 E C -0.632 176.036 176.600 0.113 0.000 0.982 1035 E CA -0.218 56.257 56.400 0.124 0.000 0.842 1035 E CB 1.535 31.274 29.700 0.065 0.000 1.144 1035 E HN 0.185 nan 8.360 nan 0.000 0.397 1036 T N 1.586 116.230 114.554 0.151 0.000 2.921 1036 T HA 0.692 5.042 4.350 -0.001 0.000 0.297 1036 T C -1.260 173.455 174.700 0.026 0.000 1.013 1036 T CA -0.566 61.626 62.100 0.153 0.000 0.990 1036 T CB 1.492 70.464 68.868 0.172 0.000 1.023 1036 T HN 0.586 nan 8.240 nan 0.000 0.447 1037 A N 1.957 124.795 122.820 0.029 0.000 2.469 1037 A HA 1.009 5.328 4.320 -0.001 0.000 0.299 1037 A C -1.048 176.439 177.584 -0.161 0.000 1.098 1037 A CA -0.943 51.013 52.037 -0.136 0.000 0.737 1037 A CB 1.545 20.412 19.000 -0.221 0.000 1.312 1037 A HN 1.117 nan 8.150 nan 0.000 0.414 1038 A N 0.190 122.821 122.820 -0.314 0.000 2.386 1038 A HA 0.826 5.146 4.320 -0.001 0.000 0.311 1038 A C -1.512 175.922 177.584 -0.251 0.000 1.068 1038 A CA -0.357 51.626 52.037 -0.090 0.000 0.743 1038 A CB 0.759 19.737 19.000 -0.037 0.000 1.258 1038 A HN 0.859 nan 8.150 nan 0.000 0.429 1039 Y N 0.083 120.602 120.300 0.365 0.000 2.524 1039 Y HA 0.588 5.138 4.550 -0.001 0.000 0.347 1039 Y C -0.290 175.771 175.900 0.267 0.000 1.005 1039 Y CA -0.930 57.328 58.100 0.264 0.000 1.025 1039 Y CB 2.615 41.184 38.460 0.182 0.000 1.275 1039 Y HN 0.424 nan 8.280 nan 0.000 0.460 1040 V N 2.241 122.344 119.914 0.316 0.000 2.531 1040 V HA 0.477 4.597 4.120 -0.001 0.000 0.301 1040 V C -0.759 175.405 176.094 0.117 0.000 1.034 1040 V CA -0.899 61.479 62.300 0.130 0.000 0.865 1040 V CB 1.827 33.665 31.823 0.024 0.000 0.995 1040 V HN 0.819 nan 8.190 nan 0.000 0.424 1041 S N 3.276 119.045 115.700 0.115 0.000 2.489 1041 S HA 0.731 5.200 4.470 -0.001 0.000 0.291 1041 S C -0.269 174.224 174.600 -0.178 0.000 1.151 1041 S CA -0.608 57.578 58.200 -0.023 0.000 1.082 1041 S CB 1.662 64.920 63.200 0.096 0.000 1.019 1041 S HN 0.551 nan 8.310 nan 0.000 0.492 1042 S N 2.498 117.984 115.700 -0.355 0.000 2.475 1042 S HA 0.519 4.988 4.470 -0.001 0.000 0.298 1042 S C -0.845 173.400 174.600 -0.591 0.000 1.119 1042 S CA -0.762 57.261 58.200 -0.295 0.000 1.085 1042 S CB 0.436 63.556 63.200 -0.132 0.000 1.028 1042 S HN 0.776 nan 8.310 nan 0.000 0.489 1043 H N 0.958 120.016 119.070 -0.020 0.000 2.589 1043 H HA 0.431 4.986 4.556 -0.001 0.000 0.351 1043 H C -0.097 175.224 175.328 -0.011 0.000 1.074 1043 H CA -0.595 55.442 56.048 -0.018 0.000 1.203 1043 H CB 1.786 31.538 29.762 -0.017 0.000 1.558 1043 H HN 0.680 nan 8.280 nan 0.000 0.522 1044 S N 0.000 115.746 115.700 0.077 0.000 2.498 1044 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1044 S CA 0.000 58.228 58.200 0.047 0.000 1.107 1044 S CB 0.000 63.215 63.200 0.025 0.000 0.593 1044 S HN 0.000 nan 8.310 nan 0.000 0.517