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 1dgj_1_A DATA FIRST_RESID 1 DATA SEQUENCE METKTLIVNG MARRLLVSPN DLLVDVLRSQ LQLTSVKVGC GKGQCGACTV DATA SEQUENCE ILDGKVVRAC IIKMSRVAEN ASVTTLEGIG APDCLHPLQH AWIQHGAAQC DATA SEQUENCE GFCTPGFIVS AKALLDENVA PSREDVRDWF QKHHNICRCT GYKPLVDAVM DATA SEQUENCE DAAAILRGEK TVEEISFKMP ADGRIWGSSI PRPSAVAKVT GLAEFGADAA DATA SEQUENCE LRMPENTLHL ALAQAKVSHA LIKGIDTSEA EKMPGVYKVL THKDVKGKNR DATA SEQUENCE ITGLITFPTN KGDGWERPIL NDSKIFQYGD ALAIVCADSE ANARAAAEKV DATA SEQUENCE KFDLELLPEY MSAPEAMAPD AIEIHPGTPN VYYDQLEEKG EDTVPFFNDP DATA SEQUENCE ANVVAEGSYY TQRQPHLPIE PDVGYGYINE QGQVVIHSKS VAIHLHALMI DATA SEQUENCE APGLGLEFPK DLVLVQNTTG GTFGYKFSPT MEALVGVAVM ATGRPCHLRY DATA SEQUENCE NYEQQQNYTG KRSPFWTTMR YAADRQGKIL AMETDWSVDH GPYSEFGDLL DATA SEQUENCE TLRGAQYIGA GYGIANIRGT GRTVATNHCW GAAFRGYGAP ESEFPSEVLM DATA SEQUENCE DELAEKLGMD PFELRALNCY REGDTTSSGQ IPEVMSLPEM FDKMRPYYEE DATA SEQUENCE SKKRVKERST AEIKRGVGVA LGVYGAGLDG PDTSEAWVEL NDDGSVTLGN DATA SEQUENCE SWEDHGQGAD AGSLGTAHEA LRPLGITPEN IHLVMNDTSK TPNSGPAGGS DATA SEQUENCE RSQVVTGNAI RVACEMLIEG MRKPGGGFFT PAEMKAEGRP MRYDGKWTAP DATA SEQUENCE AKDCDAKGQG SPFACYMYGL FLTEVAVEVA TGKATVEKMV CVADIGKICN DATA SEQUENCE KLVVDGQIYG GLAQGVGLAL SEDYEDLKKH STMGGAGIPS IKMIPDDIEI DATA SEQUENCE VYVETPRKDG PFGASGVGEM PLTAPHAAII NGIYNACGAR VRHLPARPEK DATA SEQUENCE VLEAMP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 E N -0.213 119.985 120.200 -0.003 0.000 2.392 2 E HA 0.650 5.000 4.350 -0.000 0.000 0.279 2 E C -1.229 175.370 176.600 -0.003 0.000 0.964 2 E CA -1.054 55.345 56.400 -0.002 0.000 0.777 2 E CB 1.995 31.694 29.700 -0.002 0.000 1.249 2 E HN 0.563 nan 8.360 nan 0.000 0.449 3 T N -0.312 114.241 114.554 -0.003 0.000 2.845 3 T HA 0.461 4.811 4.350 -0.000 0.000 0.288 3 T C -0.280 174.418 174.700 -0.002 0.000 0.980 3 T CA -0.855 61.243 62.100 -0.003 0.000 1.071 3 T CB 1.215 70.082 68.868 -0.003 0.000 0.941 3 T HN 0.532 nan 8.240 nan 0.000 0.487 4 K N 2.126 122.524 120.400 -0.003 0.000 2.376 4 K HA 0.432 4.752 4.320 -0.000 0.000 0.257 4 K C -0.899 175.700 176.600 -0.002 0.000 0.939 4 K CA -0.545 55.741 56.287 -0.002 0.000 0.809 4 K CB 1.416 33.914 32.500 -0.002 0.000 1.121 4 K HN 0.693 nan 8.250 nan 0.000 0.425 5 T N 5.568 120.121 114.554 -0.002 0.000 2.728 5 T HA 0.373 4.723 4.350 -0.000 0.000 0.296 5 T C -0.707 173.992 174.700 -0.002 0.000 0.940 5 T CA -0.577 61.522 62.100 -0.002 0.000 1.013 5 T CB -0.102 68.766 68.868 -0.001 0.000 0.912 5 T HN 0.462 nan 8.240 nan 0.000 0.484 6 L N 1.438 122.660 121.223 -0.002 0.000 2.408 6 L HA 0.699 5.039 4.340 -0.000 0.000 0.268 6 L C -0.514 176.354 176.870 -0.002 0.000 0.986 6 L CA -1.116 53.723 54.840 -0.002 0.000 0.820 6 L CB 1.055 43.112 42.059 -0.003 0.000 1.303 6 L HN 0.431 nan 8.230 nan 0.000 0.411 7 I N 3.288 123.857 120.570 -0.001 0.000 2.389 7 I HA 0.207 4.377 4.170 -0.000 0.000 0.295 7 I C -0.447 175.669 176.117 -0.003 0.000 1.117 7 I CA -0.288 61.011 61.300 -0.001 0.000 1.317 7 I CB 0.647 38.647 38.000 0.000 0.000 1.431 7 I HN 0.379 nan 8.210 nan 0.000 0.521 8 V N 6.927 126.838 119.914 -0.004 0.000 2.350 8 V HA 0.213 4.333 4.120 -0.000 0.000 0.276 8 V C 0.429 176.519 176.094 -0.006 0.000 1.028 8 V CA -0.720 61.576 62.300 -0.006 0.000 0.860 8 V CB 0.667 32.485 31.823 -0.008 0.000 0.990 8 V HN 0.863 nan 8.190 nan 0.000 0.453 9 N N 4.412 123.108 118.700 -0.007 0.000 2.725 9 N HA -0.218 4.522 4.740 -0.000 0.000 0.251 9 N C 1.167 176.676 175.510 -0.002 0.000 1.031 9 N CA 1.361 54.407 53.050 -0.007 0.000 0.720 9 N CB -1.144 37.338 38.487 -0.009 0.000 0.930 9 N HN 1.489 nan 8.380 nan 0.000 0.543 10 G N -2.072 106.727 108.800 -0.001 0.000 2.199 10 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 10 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 10 G C -0.053 174.848 174.900 0.002 0.000 0.982 10 G CA 0.652 45.754 45.100 0.002 0.000 0.632 10 G HN 0.332 nan 8.290 nan 0.000 0.529 11 M N 0.795 120.395 119.600 0.000 0.000 2.321 11 M HA 0.729 5.209 4.480 -0.000 0.000 0.315 11 M C 0.512 176.812 176.300 -0.001 0.000 1.052 11 M CA -0.843 54.457 55.300 -0.000 0.000 0.936 11 M CB 1.541 34.141 32.600 -0.000 0.000 1.639 11 M HN 0.597 nan 8.290 nan 0.000 0.433 12 A N 3.924 126.744 122.820 -0.000 0.000 2.466 12 A HA 0.599 4.919 4.320 -0.000 0.000 0.238 12 A C -0.041 177.542 177.584 -0.002 0.000 1.074 12 A CA 0.000 52.037 52.037 -0.001 0.000 0.774 12 A CB 0.436 19.436 19.000 -0.000 0.000 1.015 12 A HN 0.750 nan 8.150 nan 0.000 0.498 13 R N 1.318 121.816 120.500 -0.002 0.000 2.508 13 R HA 0.258 4.598 4.340 -0.000 0.000 0.283 13 R C -1.205 175.093 176.300 -0.003 0.000 1.120 13 R CA -0.428 55.670 56.100 -0.003 0.000 0.958 13 R CB 1.598 31.896 30.300 -0.004 0.000 1.215 13 R HN 0.843 nan 8.270 nan 0.000 0.427 14 R N 3.114 123.613 120.500 -0.003 0.000 2.202 14 R HA 0.463 4.803 4.340 -0.000 0.000 0.334 14 R C -0.353 175.945 176.300 -0.004 0.000 1.036 14 R CA -0.418 55.680 56.100 -0.003 0.000 0.878 14 R CB 0.854 31.152 30.300 -0.003 0.000 1.067 14 R HN 0.397 nan 8.270 nan 0.000 0.457 15 L N 4.363 125.583 121.223 -0.004 0.000 2.329 15 L HA 0.414 4.754 4.340 -0.000 0.000 0.279 15 L C -0.078 176.790 176.870 -0.005 0.000 1.014 15 L CA -0.724 54.113 54.840 -0.005 0.000 0.814 15 L CB 1.916 43.972 42.059 -0.006 0.000 1.257 15 L HN 0.414 nan 8.230 nan 0.000 0.424 16 L N 5.782 127.002 121.223 -0.005 0.000 2.302 16 L HA 0.382 4.722 4.340 -0.000 0.000 0.285 16 L C -0.278 176.588 176.870 -0.006 0.000 1.090 16 L CA -0.287 54.550 54.840 -0.005 0.000 0.866 16 L CB 0.661 42.717 42.059 -0.005 0.000 1.244 16 L HN 0.490 nan 8.230 nan 0.000 0.435 17 V N 1.379 121.290 119.914 -0.005 0.000 3.204 17 V HA 0.653 4.773 4.120 -0.000 0.000 0.316 17 V C -0.229 175.862 176.094 -0.005 0.000 1.160 17 V CA -0.773 61.524 62.300 -0.005 0.000 1.044 17 V CB 1.861 33.681 31.823 -0.005 0.000 1.136 17 V HN 0.599 nan 8.190 nan 0.000 0.455 18 S N 0.454 116.151 115.700 -0.005 0.000 2.454 18 S HA 0.611 5.081 4.470 -0.000 0.000 0.306 18 S C -1.777 172.822 174.600 -0.003 0.000 1.100 18 S CA -1.531 56.667 58.200 -0.004 0.000 1.087 18 S CB 1.598 64.796 63.200 -0.004 0.000 1.019 18 S HN 0.760 nan 8.310 nan 0.000 0.480 19 P HA -0.061 nan 4.420 nan 0.000 0.222 19 P C 0.478 177.777 177.300 -0.002 0.000 1.142 19 P CA 1.038 64.136 63.100 -0.002 0.000 0.788 19 P CB 0.042 31.741 31.700 -0.002 0.000 0.767 20 N N -0.904 117.795 118.700 -0.001 0.000 2.280 20 N HA 0.016 4.756 4.740 -0.000 0.000 0.192 20 N C 0.075 175.585 175.510 -0.000 0.000 1.109 20 N CA 0.223 53.273 53.050 -0.001 0.000 0.855 20 N CB -0.037 38.450 38.487 0.000 0.000 0.974 20 N HN 0.142 nan 8.380 nan 0.000 0.482 21 D N 0.808 121.207 120.400 -0.001 0.000 2.399 21 D HA 0.134 4.774 4.640 -0.000 0.000 0.241 21 D C 0.446 176.746 176.300 -0.000 0.000 1.133 21 D CA 0.158 54.157 54.000 -0.001 0.000 0.890 21 D CB 1.464 42.262 40.800 -0.003 0.000 1.201 21 D HN -0.003 nan 8.370 nan 0.000 0.432 22 L N 2.634 123.858 121.223 0.001 0.000 2.312 22 L HA 0.088 4.428 4.340 -0.000 0.000 0.281 22 L C 1.625 178.494 176.870 -0.000 0.000 1.070 22 L CA -0.766 54.075 54.840 0.002 0.000 0.805 22 L CB 1.314 43.376 42.059 0.006 0.000 1.174 22 L HN 0.318 nan 8.230 nan 0.000 0.434 23 L N 4.099 125.320 121.223 -0.003 0.000 2.089 23 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 23 L C 2.076 178.943 176.870 -0.005 0.000 1.079 23 L CA 1.821 56.658 54.840 -0.005 0.000 0.758 23 L CB -0.322 41.733 42.059 -0.006 0.000 0.891 23 L HN 0.543 nan 8.230 nan 0.000 0.433 24 V N -0.364 119.548 119.914 -0.003 0.000 2.407 24 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 24 V C 2.114 178.209 176.094 0.003 0.000 1.055 24 V CA 2.336 64.635 62.300 -0.001 0.000 1.049 24 V CB -0.486 31.340 31.823 0.004 0.000 0.662 24 V HN 0.564 nan 8.190 nan 0.000 0.455 25 D N -0.518 119.885 120.400 0.005 0.000 2.149 25 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 25 D C 2.172 178.470 176.300 -0.003 0.000 0.972 25 D CA 1.471 55.473 54.000 0.004 0.000 0.835 25 D CB -0.225 40.577 40.800 0.004 0.000 0.966 25 D HN 0.422 nan 8.370 nan 0.000 0.476 26 V N 1.392 121.303 119.914 -0.004 0.000 2.261 26 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 26 V C 2.717 178.806 176.094 -0.008 0.000 1.047 26 V CA 1.220 63.516 62.300 -0.007 0.000 1.015 26 V CB -0.598 31.221 31.823 -0.006 0.000 0.642 26 V HN 0.177 nan 8.190 nan 0.000 0.446 27 L N -0.773 120.445 121.223 -0.008 0.000 2.127 27 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 27 L C 2.781 179.646 176.870 -0.009 0.000 1.089 27 L CA 1.674 56.508 54.840 -0.010 0.000 0.757 27 L CB -0.480 41.572 42.059 -0.013 0.000 0.899 27 L HN 0.290 nan 8.230 nan 0.000 0.434 28 R N -1.225 119.271 120.500 -0.006 0.000 2.052 28 R HA -0.000 4.340 4.340 -0.000 0.000 0.224 28 R C 2.485 178.782 176.300 -0.006 0.000 1.149 28 R CA 1.261 57.359 56.100 -0.002 0.000 0.962 28 R CB -0.351 29.953 30.300 0.007 0.000 0.856 28 R HN 0.116 nan 8.270 nan 0.000 0.433 29 S N 0.887 116.581 115.700 -0.009 0.000 2.406 29 S HA -0.098 4.371 4.470 -0.000 0.000 0.228 29 S C 1.758 176.347 174.600 -0.018 0.000 1.020 29 S CA 1.196 59.385 58.200 -0.017 0.000 0.965 29 S CB 0.081 63.268 63.200 -0.023 0.000 0.798 29 S HN 0.330 nan 8.310 nan 0.000 0.488 30 Q N -0.454 119.338 119.800 -0.014 0.000 2.394 30 Q HA 0.310 4.650 4.340 -0.000 0.000 0.218 30 Q C 1.376 177.369 176.000 -0.012 0.000 0.907 30 Q CA 0.397 56.193 55.803 -0.013 0.000 0.919 30 Q CB 0.229 28.960 28.738 -0.012 0.000 1.051 30 Q HN 0.374 nan 8.270 nan 0.000 0.538 31 L N 0.314 121.531 121.223 -0.010 0.000 2.693 31 L HA 0.145 4.485 4.340 -0.000 0.000 0.235 31 L C 0.440 177.304 176.870 -0.009 0.000 1.127 31 L CA 0.040 54.874 54.840 -0.010 0.000 0.914 31 L CB 0.401 42.454 42.059 -0.009 0.000 1.193 31 L HN 0.261 nan 8.230 nan 0.000 0.502 32 Q N 1.024 120.819 119.800 -0.009 0.000 2.435 32 Q HA -0.224 4.116 4.340 -0.000 0.000 0.286 32 Q C -0.038 175.959 176.000 -0.004 0.000 1.229 32 Q CA 0.302 56.101 55.803 -0.007 0.000 0.884 32 Q CB -1.004 27.729 28.738 -0.009 0.000 1.245 32 Q HN 0.501 nan 8.270 nan 0.000 0.488 33 L N 1.164 122.383 121.223 -0.007 0.000 2.727 33 L HA 0.073 4.413 4.340 -0.000 0.000 0.237 33 L C 1.830 178.693 176.870 -0.011 0.000 1.370 33 L CA 0.475 55.308 54.840 -0.010 0.000 1.248 33 L CB -0.280 41.770 42.059 -0.016 0.000 1.556 33 L HN 0.327 nan 8.230 nan 0.000 0.420 34 T N -4.555 110.000 114.554 0.002 0.000 3.003 34 T HA -0.222 4.128 4.350 -0.000 0.000 0.270 34 T C 1.958 176.655 174.700 -0.005 0.000 1.153 34 T CA 1.314 63.422 62.100 0.013 0.000 1.089 34 T CB -0.254 68.640 68.868 0.043 0.000 0.838 34 T HN 0.600 nan 8.240 nan 0.000 0.562 35 S N 0.654 116.341 115.700 -0.023 0.000 2.423 35 S HA 0.028 4.498 4.470 -0.000 0.000 0.231 35 S C 0.852 175.387 174.600 -0.108 0.000 1.014 35 S CA 0.067 58.234 58.200 -0.054 0.000 0.965 35 S CB -0.761 62.410 63.200 -0.049 0.000 0.785 35 S HN 0.426 nan 8.310 nan 0.000 0.495 36 V N 3.981 123.844 119.914 -0.085 0.000 2.397 36 V HA 0.263 4.383 4.120 -0.000 0.000 0.262 36 V C 0.220 176.245 176.094 -0.114 0.000 1.047 36 V CA -0.262 61.981 62.300 -0.094 0.000 1.003 36 V CB 0.051 31.841 31.823 -0.055 0.000 1.037 36 V HN 0.316 nan 8.190 nan 0.000 0.480 37 K N 3.651 123.930 120.400 -0.201 0.000 2.087 37 K HA 0.610 4.930 4.320 -0.000 0.000 0.255 37 K C -0.579 175.985 176.600 -0.060 0.000 0.988 37 K CA -0.711 55.434 56.287 -0.237 0.000 0.915 37 K CB 2.230 34.280 32.500 -0.749 0.000 1.043 37 K HN 0.332 nan 8.250 nan 0.000 0.457 38 V N 2.134 122.096 119.914 0.081 0.000 2.304 38 V HA 0.248 4.368 4.120 -0.000 0.000 0.278 38 V C 0.947 177.197 176.094 0.261 0.000 1.018 38 V CA -0.384 61.998 62.300 0.137 0.000 0.814 38 V CB 0.841 32.746 31.823 0.135 0.000 1.021 38 V HN 0.999 nan 8.190 nan 0.000 0.440 39 G N 2.563 111.505 108.800 0.237 0.000 2.549 39 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 39 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 39 G C 1.710 176.719 174.900 0.181 0.000 1.677 39 G CA 1.041 46.309 45.100 0.280 0.000 0.929 39 G HN 0.811 nan 8.290 nan 0.000 0.549 40 C N -0.343 118.943 119.300 -0.024 0.000 2.457 40 C HA 0.409 4.869 4.460 -0.000 0.000 0.278 40 C C 2.436 177.452 174.990 0.045 0.000 1.309 40 C CA 0.531 59.461 59.018 -0.147 0.000 1.735 40 C CB -0.841 26.734 27.740 -0.276 0.000 1.992 40 C HN 1.719 nan 8.230 nan 0.000 0.493 41 G N 0.606 109.433 108.800 0.045 0.000 2.148 41 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 41 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 41 G C 0.442 175.358 174.900 0.027 0.000 0.981 41 G CA 0.680 45.815 45.100 0.057 0.000 0.670 41 G HN 0.677 nan 8.290 nan 0.000 0.528 42 K N -0.613 119.783 120.400 -0.007 0.000 2.564 42 K HA 0.420 4.740 4.320 -0.000 0.000 0.201 42 K C 1.461 178.020 176.600 -0.069 0.000 1.086 42 K CA 0.074 56.346 56.287 -0.024 0.000 1.062 42 K CB 0.981 33.474 32.500 -0.013 0.000 0.849 42 K HN 1.252 nan 8.250 nan 0.000 0.529 43 G N 2.264 111.017 108.800 -0.079 0.000 2.153 43 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.252 43 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.252 43 G C 0.637 175.405 174.900 -0.220 0.000 0.994 43 G CA 0.732 45.752 45.100 -0.133 0.000 0.698 43 G HN 0.441 nan 8.290 nan 0.000 0.521 44 Q N -1.153 118.555 119.800 -0.153 0.000 2.304 44 Q HA 0.108 4.448 4.340 -0.000 0.000 0.204 44 Q C 2.945 178.931 176.000 -0.022 0.000 0.936 44 Q CA 1.312 57.038 55.803 -0.128 0.000 0.878 44 Q CB -0.065 28.621 28.738 -0.088 0.000 0.983 44 Q HN 1.059 nan 8.270 nan 0.000 0.516 45 C N -0.622 118.658 119.300 -0.035 0.000 2.495 45 C HA 0.420 4.880 4.460 -0.000 0.000 0.275 45 C C 1.808 176.810 174.990 0.020 0.000 1.392 45 C CA 0.177 59.203 59.018 0.013 0.000 1.766 45 C CB -0.977 26.762 27.740 -0.001 0.000 1.933 45 C HN 0.681 nan 8.230 nan 0.000 0.519 46 G N 0.644 109.442 108.800 -0.004 0.000 2.180 46 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.263 46 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.263 46 G C 1.177 176.042 174.900 -0.058 0.000 0.989 46 G CA 0.717 45.799 45.100 -0.030 0.000 0.692 46 G HN 1.497 nan 8.290 nan 0.000 0.526 47 A N -0.529 122.278 122.820 -0.022 0.000 2.121 47 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 47 A C 2.364 179.895 177.584 -0.088 0.000 1.154 47 A CA 2.191 54.204 52.037 -0.040 0.000 0.679 47 A CB -0.692 18.320 19.000 0.021 0.000 0.795 47 A HN 1.780 nan 8.150 nan 0.000 0.458 48 C N -2.200 117.065 119.300 -0.058 0.000 2.778 48 C HA 0.368 4.828 4.460 -0.000 0.000 0.294 48 C C 0.760 175.719 174.990 -0.052 0.000 1.331 48 C CA -0.559 58.425 59.018 -0.057 0.000 1.741 48 C CB -2.057 25.665 27.740 -0.030 0.000 2.106 48 C HN 0.293 nan 8.230 nan 0.000 0.603 49 T N 3.178 117.698 114.554 -0.058 0.000 2.866 49 T HA 0.371 4.721 4.350 -0.000 0.000 0.293 49 T C 0.350 175.021 174.700 -0.047 0.000 1.005 49 T CA 0.965 63.036 62.100 -0.049 0.000 1.162 49 T CB 0.213 69.044 68.868 -0.061 0.000 0.968 49 T HN 0.864 nan 8.240 nan 0.000 0.530 50 V N 1.659 121.553 119.914 -0.034 0.000 3.102 50 V HA 0.683 4.802 4.120 -0.000 0.000 0.312 50 V C -0.521 175.562 176.094 -0.019 0.000 1.135 50 V CA -1.400 60.882 62.300 -0.030 0.000 1.022 50 V CB 2.082 33.889 31.823 -0.026 0.000 1.056 50 V HN 0.728 nan 8.190 nan 0.000 0.436 51 I N 2.552 123.114 120.570 -0.015 0.000 2.307 51 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 51 I C -0.917 175.200 176.117 0.000 0.000 1.021 51 I CA -0.377 60.922 61.300 -0.002 0.000 1.224 51 I CB 1.477 39.477 38.000 0.001 0.000 1.376 51 I HN 0.456 nan 8.210 nan 0.000 0.470 52 L N 7.057 128.282 121.223 0.005 0.000 2.294 52 L HA 0.427 4.766 4.340 -0.000 0.000 0.283 52 L C -0.218 176.659 176.870 0.011 0.000 1.015 52 L CA 0.128 54.971 54.840 0.005 0.000 0.831 52 L CB 0.270 42.331 42.059 0.002 0.000 1.217 52 L HN 0.478 nan 8.230 nan 0.000 0.420 53 D N 4.750 125.156 120.400 0.010 0.000 2.697 53 D HA -0.202 4.437 4.640 -0.000 0.000 0.238 53 D C 1.183 177.496 176.300 0.022 0.000 1.152 53 D CA 1.373 55.381 54.000 0.014 0.000 0.666 53 D CB -0.945 39.863 40.800 0.012 0.000 1.037 53 D HN 1.159 nan 8.370 nan 0.000 0.423 54 G N -0.766 108.049 108.800 0.025 0.000 2.284 54 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.261 54 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.261 54 G C 0.436 175.371 174.900 0.057 0.000 0.997 54 G CA 0.817 45.940 45.100 0.039 0.000 0.621 54 G HN 0.427 nan 8.290 nan 0.000 0.534 55 K N 0.681 121.109 120.400 0.046 0.000 2.172 55 K HA 0.525 4.845 4.320 -0.000 0.000 0.276 55 K C 0.153 176.774 176.600 0.036 0.000 1.013 55 K CA -0.531 55.787 56.287 0.051 0.000 0.913 55 K CB 2.257 34.780 32.500 0.037 0.000 1.055 55 K HN 0.056 nan 8.250 nan 0.000 0.461 56 V N 4.585 124.516 119.914 0.028 0.000 2.389 56 V HA 0.115 4.235 4.120 -0.000 0.000 0.264 56 V C 0.297 176.396 176.094 0.010 0.000 1.049 56 V CA -0.452 61.834 62.300 -0.023 0.000 0.932 56 V CB 0.703 32.398 31.823 -0.213 0.000 1.011 56 V HN 0.544 nan 8.190 nan 0.000 0.475 57 V N 3.392 123.309 119.914 0.004 0.000 3.074 57 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 57 V C -0.378 175.713 176.094 -0.004 0.000 1.117 57 V CA -1.423 60.882 62.300 0.009 0.000 1.014 57 V CB 2.325 34.150 31.823 0.003 0.000 1.057 57 V HN 0.691 nan 8.190 nan 0.000 0.438 58 R N 1.748 122.243 120.500 -0.009 0.000 2.233 58 R HA 0.624 4.964 4.340 -0.000 0.000 0.334 58 R C 1.192 177.479 176.300 -0.021 0.000 1.037 58 R CA 0.188 56.275 56.100 -0.021 0.000 0.920 58 R CB 1.253 31.532 30.300 -0.035 0.000 1.137 58 R HN 1.033 nan 8.270 nan 0.000 0.492 59 A N 1.980 124.789 122.820 -0.019 0.000 2.194 59 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 59 A C 1.974 179.552 177.584 -0.010 0.000 1.162 59 A CA 1.607 53.635 52.037 -0.015 0.000 0.674 59 A CB -0.676 18.314 19.000 -0.016 0.000 0.789 59 A HN 0.957 nan 8.150 nan 0.000 0.470 60 C N -1.374 117.920 119.300 -0.010 0.000 2.514 60 C HA 0.343 4.803 4.460 -0.000 0.000 0.271 60 C C 1.717 176.704 174.990 -0.005 0.000 1.399 60 C CA 0.305 59.323 59.018 -0.001 0.000 1.765 60 C CB -1.484 26.259 27.740 0.005 0.000 1.893 60 C HN 0.723 nan 8.230 nan 0.000 0.531 61 I N -1.743 118.818 120.570 -0.015 0.000 3.816 61 I HA 0.510 4.680 4.170 -0.000 0.000 0.334 61 I C -0.477 175.631 176.117 -0.014 0.000 1.551 61 I CA -0.217 61.072 61.300 -0.017 0.000 1.153 61 I CB -0.208 37.773 38.000 -0.032 0.000 1.197 61 I HN -0.023 nan 8.210 nan 0.000 0.439 62 I N 2.678 123.242 120.570 -0.010 0.000 2.382 62 I HA 0.444 4.614 4.170 -0.000 0.000 0.286 62 I C 0.001 176.115 176.117 -0.005 0.000 1.002 62 I CA -0.410 60.885 61.300 -0.008 0.000 1.135 62 I CB 1.594 39.589 38.000 -0.008 0.000 1.288 62 I HN 0.131 nan 8.210 nan 0.000 0.448 63 K N 5.536 125.934 120.400 -0.004 0.000 2.237 63 K HA 0.282 4.602 4.320 -0.000 0.000 0.270 63 K C 1.017 177.616 176.600 -0.003 0.000 1.015 63 K CA -0.642 55.644 56.287 -0.003 0.000 0.949 63 K CB 1.134 33.633 32.500 -0.002 0.000 0.976 63 K HN 0.394 nan 8.250 nan 0.000 0.472 64 M N 1.026 120.625 119.600 -0.002 0.000 2.279 64 M HA -0.145 4.335 4.480 -0.000 0.000 0.264 64 M C 1.879 178.177 176.300 -0.002 0.000 1.062 64 M CA 1.486 56.784 55.300 -0.003 0.000 1.099 64 M CB -1.314 31.284 32.600 -0.003 0.000 1.394 64 M HN 0.662 nan 8.290 nan 0.000 0.426 65 S N -0.479 115.220 115.700 -0.002 0.000 2.442 65 S HA -0.111 4.359 4.470 -0.000 0.000 0.236 65 S C 1.836 176.435 174.600 -0.002 0.000 1.007 65 S CA 0.821 59.020 58.200 -0.002 0.000 0.965 65 S CB -0.236 62.963 63.200 -0.002 0.000 0.773 65 S HN 0.293 nan 8.310 nan 0.000 0.504 66 R N 0.732 121.230 120.500 -0.002 0.000 2.317 66 R HA 0.410 4.750 4.340 -0.000 0.000 0.208 66 R C -0.513 175.786 176.300 -0.001 0.000 0.914 66 R CA -0.062 56.037 56.100 -0.002 0.000 1.060 66 R CB -0.035 30.263 30.300 -0.003 0.000 1.015 66 R HN 0.343 nan 8.270 nan 0.000 0.498 67 V N 1.147 121.060 119.914 -0.002 0.000 2.394 67 V HA 0.532 4.652 4.120 -0.000 0.000 0.282 67 V C 0.475 176.568 176.094 -0.001 0.000 1.031 67 V CA -1.302 60.997 62.300 -0.001 0.000 0.881 67 V CB 1.211 33.033 31.823 -0.002 0.000 0.982 67 V HN 0.231 nan 8.190 nan 0.000 0.451 68 A N 4.304 127.125 122.820 0.000 0.000 2.406 68 A HA 0.370 4.690 4.320 -0.000 0.000 0.243 68 A C 0.435 178.019 177.584 0.000 0.000 1.082 68 A CA -0.250 51.787 52.037 0.001 0.000 0.786 68 A CB 0.183 19.185 19.000 0.002 0.000 1.029 68 A HN 0.754 nan 8.150 nan 0.000 0.495 69 E N 1.161 121.361 120.200 0.001 0.000 2.373 69 E HA 0.036 4.386 4.350 -0.000 0.000 0.267 69 E C 0.060 176.661 176.600 0.001 0.000 1.032 69 E CA 0.303 56.703 56.400 0.000 0.000 0.889 69 E CB 0.277 29.978 29.700 0.000 0.000 0.984 69 E HN 0.662 nan 8.360 nan 0.000 0.425 70 N N -0.292 118.409 118.700 0.001 0.000 2.778 70 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 70 N C -0.301 175.210 175.510 0.001 0.000 1.069 70 N CA 1.003 54.053 53.050 0.001 0.000 0.831 70 N CB -1.355 37.133 38.487 0.002 0.000 1.142 70 N HN 0.518 nan 8.380 nan 0.000 0.573 71 A N 0.955 123.776 122.820 0.001 0.000 2.531 71 A HA 0.389 4.709 4.320 -0.000 0.000 0.236 71 A C 0.903 178.488 177.584 0.001 0.000 1.062 71 A CA 0.566 52.604 52.037 0.002 0.000 0.760 71 A CB 0.301 19.302 19.000 0.001 0.000 0.995 71 A HN 0.475 nan 8.150 nan 0.000 0.501 72 S N 1.051 116.752 115.700 0.002 0.000 2.508 72 S HA 0.657 5.127 4.470 -0.000 0.000 0.284 72 S C -0.515 174.085 174.600 -0.001 0.000 1.192 72 S CA -0.658 57.542 58.200 0.001 0.000 1.070 72 S CB 1.325 64.527 63.200 0.003 0.000 1.004 72 S HN 0.814 nan 8.310 nan 0.000 0.493 73 V N 2.636 122.548 119.914 -0.004 0.000 2.588 73 V HA 0.595 4.715 4.120 -0.000 0.000 0.304 73 V C -0.283 175.805 176.094 -0.011 0.000 1.042 73 V CA -0.550 61.745 62.300 -0.007 0.000 0.877 73 V CB 2.115 33.932 31.823 -0.009 0.000 0.996 73 V HN 1.061 nan 8.190 nan 0.000 0.425 74 T N 3.147 117.692 114.554 -0.015 0.000 2.809 74 T HA 0.623 4.973 4.350 -0.000 0.000 0.284 74 T C 0.085 174.766 174.700 -0.033 0.000 0.992 74 T CA -0.466 61.620 62.100 -0.023 0.000 0.957 74 T CB 1.550 70.403 68.868 -0.025 0.000 0.942 74 T HN 0.945 nan 8.240 nan 0.000 0.439 75 T N 0.441 114.973 114.554 -0.038 0.000 2.870 75 T HA 0.522 4.872 4.350 -0.000 0.000 0.277 75 T C 1.251 175.914 174.700 -0.061 0.000 1.000 75 T CA -0.895 61.177 62.100 -0.048 0.000 0.982 75 T CB 0.746 69.589 68.868 -0.041 0.000 1.249 75 T HN 0.198 nan 8.240 nan 0.000 0.589 76 L N 0.703 121.883 121.223 -0.071 0.000 2.079 76 L HA 0.047 4.387 4.340 -0.000 0.000 0.210 76 L C 2.304 179.137 176.870 -0.063 0.000 1.081 76 L CA 1.911 56.701 54.840 -0.085 0.000 0.752 76 L CB -1.222 40.781 42.059 -0.094 0.000 0.896 76 L HN 0.798 nan 8.230 nan 0.000 0.433 77 E N -0.707 119.467 120.200 -0.044 0.000 2.333 77 E HA -0.073 4.277 4.350 -0.000 0.000 0.198 77 E C 1.949 178.535 176.600 -0.023 0.000 1.007 77 E CA 0.943 57.326 56.400 -0.028 0.000 0.845 77 E CB -0.447 29.241 29.700 -0.020 0.000 0.766 77 E HN 0.575 nan 8.360 nan 0.000 0.507 78 G N -0.553 108.228 108.800 -0.031 0.000 3.088 78 G HA2 0.056 4.016 3.960 -0.000 0.000 0.217 78 G HA3 0.056 4.016 3.960 -0.000 0.000 0.217 78 G C 1.247 176.129 174.900 -0.030 0.000 1.159 78 G CA -0.129 44.956 45.100 -0.024 0.000 0.760 78 G HN 0.162 nan 8.290 nan 0.000 0.550 79 I N -0.101 120.437 120.570 -0.054 0.000 2.927 79 I HA 0.311 4.481 4.170 -0.000 0.000 0.268 79 I C 1.207 177.324 176.117 0.000 0.000 1.153 79 I CA 0.655 61.903 61.300 -0.086 0.000 1.459 79 I CB 0.614 38.494 38.000 -0.200 0.000 1.149 79 I HN 0.153 nan 8.210 nan 0.000 0.443 80 G N 0.692 109.494 108.800 0.005 0.000 2.633 80 G HA2 0.628 4.588 3.960 -0.000 0.000 0.299 80 G HA3 0.628 4.588 3.960 -0.000 0.000 0.299 80 G C -1.662 173.244 174.900 0.011 0.000 1.501 80 G CA -0.056 45.069 45.100 0.041 0.000 0.887 80 G HN 0.169 nan 8.290 nan 0.000 0.561 81 A N 2.394 125.223 122.820 0.015 0.000 2.313 81 A HA 0.975 5.295 4.320 -0.000 0.000 0.323 81 A C -1.052 176.532 177.584 -0.001 0.000 1.133 81 A CA -1.520 50.519 52.037 0.004 0.000 0.847 81 A CB 1.460 20.465 19.000 0.008 0.000 1.308 81 A HN 0.449 nan 8.150 nan 0.000 0.475 82 P HA -0.171 nan 4.420 nan 0.000 0.220 82 P C 0.164 177.464 177.300 0.001 0.000 1.144 82 P CA 1.441 64.536 63.100 -0.009 0.000 0.800 82 P CB 0.222 31.919 31.700 -0.004 0.000 0.772 83 D N -0.728 119.679 120.400 0.012 0.000 2.355 83 D HA 0.026 4.666 4.640 -0.000 0.000 0.206 83 D C 0.586 176.907 176.300 0.036 0.000 1.010 83 D CA 0.641 54.655 54.000 0.024 0.000 0.875 83 D CB 0.323 41.136 40.800 0.022 0.000 0.966 83 D HN 0.306 nan 8.370 nan 0.000 0.512 84 C N 1.569 120.891 119.300 0.036 0.000 3.003 84 C HA 0.600 5.060 4.460 -0.000 0.000 0.241 84 C C 0.276 175.303 174.990 0.062 0.000 1.224 84 C CA -1.376 57.674 59.018 0.053 0.000 1.560 84 C CB -0.953 26.814 27.740 0.045 0.000 1.768 84 C HN -0.033 nan 8.230 nan 0.000 0.440 85 L N 3.027 124.289 121.223 0.065 0.000 2.397 85 L HA 0.315 4.655 4.340 -0.000 0.000 0.271 85 L C 1.041 178.000 176.870 0.149 0.000 1.148 85 L CA 0.232 55.097 54.840 0.041 0.000 0.825 85 L CB 0.394 42.330 42.059 -0.204 0.000 1.117 85 L HN 0.684 nan 8.230 nan 0.000 0.456 86 H N 4.624 123.733 119.070 0.065 0.000 2.551 86 H HA 0.132 4.688 4.556 -0.000 0.000 0.358 86 H C -1.853 173.588 175.328 0.189 0.000 1.151 86 H CA -1.589 54.518 56.048 0.099 0.000 1.374 86 H CB 2.032 31.822 29.762 0.046 0.000 1.473 86 H HN 0.332 nan 8.280 nan 0.000 0.574 87 P HA -0.157 nan 4.420 nan 0.000 0.219 87 P C 1.608 179.063 177.300 0.258 0.000 1.146 87 P CA 0.531 63.661 63.100 0.051 0.000 0.808 87 P CB 0.295 31.930 31.700 -0.108 0.000 0.779 88 L N -0.531 120.963 121.223 0.451 0.000 2.093 88 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 88 L C 2.338 179.444 176.870 0.393 0.000 1.085 88 L CA 1.878 56.988 54.840 0.450 0.000 0.755 88 L CB -1.387 40.908 42.059 0.393 0.000 0.904 88 L HN -0.016 nan 8.230 nan 0.000 0.435 89 Q N -1.833 118.134 119.800 0.279 0.000 2.079 89 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 89 Q C 2.111 178.238 176.000 0.212 0.000 0.974 89 Q CA 1.673 57.575 55.803 0.164 0.000 0.840 89 Q CB -0.214 28.544 28.738 0.033 0.000 0.898 89 Q HN 0.582 nan 8.270 nan 0.000 0.430 90 H N 0.038 119.228 119.070 0.199 0.000 2.319 90 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 90 H C 2.025 177.485 175.328 0.220 0.000 1.092 90 H CA 1.491 57.641 56.048 0.171 0.000 1.302 90 H CB -0.022 29.810 29.762 0.117 0.000 1.373 90 H HN 0.340 nan 8.280 nan 0.000 0.497 91 A N 0.607 123.662 122.820 0.391 0.000 1.902 91 A HA -0.202 4.117 4.320 -0.000 0.000 0.217 91 A C 2.138 179.946 177.584 0.374 0.000 1.181 91 A CA 1.178 53.435 52.037 0.366 0.000 0.623 91 A CB -1.011 18.158 19.000 0.283 0.000 0.818 91 A HN 0.605 nan 8.150 nan 0.000 0.443 92 W N 0.286 121.684 121.300 0.163 0.000 2.335 92 W HA -0.195 4.465 4.660 -0.000 0.000 0.311 92 W C 2.028 178.620 176.519 0.122 0.000 1.213 92 W CA 1.721 59.140 57.345 0.123 0.000 1.274 92 W CB -0.304 29.205 29.460 0.082 0.000 1.148 92 W HN 0.327 nan 8.180 nan 0.000 0.498 93 I N 0.277 121.041 120.570 0.323 0.000 2.179 93 I HA -0.343 3.827 4.170 -0.000 0.000 0.242 93 I C 2.444 178.635 176.117 0.124 0.000 1.088 93 I CA 1.197 62.607 61.300 0.185 0.000 1.357 93 I CB -0.777 37.306 38.000 0.139 0.000 1.051 93 I HN -0.077 nan 8.210 nan 0.000 0.409 94 Q N -0.181 119.711 119.800 0.152 0.000 2.364 94 Q HA -0.137 4.202 4.340 -0.000 0.000 0.207 94 Q C 1.668 177.611 176.000 -0.096 0.000 0.970 94 Q CA 1.241 57.079 55.803 0.057 0.000 0.888 94 Q CB -0.353 28.439 28.738 0.089 0.000 0.951 94 Q HN 0.660 nan 8.270 nan 0.000 0.469 95 H N -1.282 117.785 119.070 -0.006 0.000 2.622 95 H HA 0.173 4.729 4.556 -0.000 0.000 0.269 95 H C 0.735 176.017 175.328 -0.076 0.000 0.977 95 H CA 0.599 56.612 56.048 -0.057 0.000 1.179 95 H CB 0.915 30.600 29.762 -0.128 0.000 1.458 95 H HN 0.358 nan 8.280 nan 0.000 0.531 96 G N 1.277 110.089 108.800 0.019 0.000 2.221 96 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.265 96 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.265 96 G C 1.275 176.162 174.900 -0.022 0.000 1.041 96 G CA 0.525 45.622 45.100 -0.005 0.000 0.807 96 G HN 0.538 nan 8.290 nan 0.000 0.502 97 A N -1.045 121.713 122.820 -0.103 0.000 2.168 97 A HA 0.592 4.912 4.320 -0.000 0.000 0.215 97 A C 1.633 179.217 177.584 -0.000 0.000 1.152 97 A CA 1.928 53.788 52.037 -0.295 0.000 0.716 97 A CB 0.077 18.409 19.000 -1.113 0.000 0.794 97 A HN 2.101 nan 8.150 nan 0.000 0.465 98 A N -0.311 122.614 122.820 0.175 0.000 2.273 98 A HA 0.587 4.906 4.320 -0.000 0.000 0.320 98 A C 0.505 178.164 177.584 0.124 0.000 1.358 98 A CA -0.527 51.649 52.037 0.232 0.000 0.910 98 A CB 0.478 19.650 19.000 0.288 0.000 1.159 98 A HN 0.487 nan 8.150 nan 0.000 0.526 99 Q N 1.080 120.945 119.800 0.107 0.000 2.141 99 Q HA -0.031 4.309 4.340 -0.000 0.000 0.207 99 Q C 2.167 178.231 176.000 0.107 0.000 0.996 99 Q CA 1.275 57.124 55.803 0.076 0.000 0.850 99 Q CB -0.197 28.580 28.738 0.065 0.000 0.952 99 Q HN 1.063 nan 8.270 nan 0.000 0.512 100 C N -0.421 118.967 119.300 0.147 0.000 2.448 100 C HA 0.327 4.786 4.460 -0.000 0.000 0.280 100 C C 1.743 176.950 174.990 0.362 0.000 1.398 100 C CA 0.194 59.342 59.018 0.217 0.000 1.774 100 C CB -1.191 26.680 27.740 0.219 0.000 1.888 100 C HN 0.875 nan 8.230 nan 0.000 0.519 101 G N -0.227 108.751 108.800 0.297 0.000 2.168 101 G HA2 -0.388 3.571 3.960 -0.000 0.000 0.263 101 G HA3 -0.388 3.571 3.960 -0.000 0.000 0.263 101 G C 0.371 175.457 174.900 0.309 0.000 0.977 101 G CA 0.540 45.825 45.100 0.309 0.000 0.659 101 G HN 0.678 nan 8.290 nan 0.000 0.533 102 F N 0.807 120.813 119.950 0.095 0.000 2.407 102 F HA 0.027 4.553 4.527 -0.000 0.000 0.299 102 F C 2.630 178.370 175.800 -0.100 0.000 1.097 102 F CA 2.120 59.961 58.000 -0.264 0.000 1.422 102 F CB 0.016 38.789 39.000 -0.377 0.000 1.067 102 F HN 0.556 nan 8.300 nan 0.000 0.539 103 C N -1.952 117.429 119.300 0.135 0.000 2.906 103 C HA 0.234 4.694 4.460 -0.000 0.000 0.274 103 C C 2.304 177.421 174.990 0.212 0.000 1.257 103 C CA 0.391 59.521 59.018 0.186 0.000 1.695 103 C CB -1.454 26.508 27.740 0.370 0.000 1.958 103 C HN 0.321 nan 8.230 nan 0.000 0.619 104 T N 3.255 117.866 114.554 0.094 0.000 2.652 104 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 104 T C -0.371 174.250 174.700 -0.132 0.000 1.039 104 T CA 2.570 64.668 62.100 -0.002 0.000 1.153 104 T CB -1.283 67.577 68.868 -0.012 0.000 0.863 104 T HN 0.436 nan 8.240 nan 0.000 0.428 105 P HA -0.063 nan 4.420 nan 0.000 0.214 105 P C 1.779 179.005 177.300 -0.124 0.000 1.163 105 P CA 1.315 64.325 63.100 -0.150 0.000 0.883 105 P CB -0.507 31.105 31.700 -0.147 0.000 0.788 106 G N -1.603 107.142 108.800 -0.091 0.000 2.440 106 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.218 106 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.218 106 G C 1.305 176.144 174.900 -0.102 0.000 1.154 106 G CA 0.481 45.525 45.100 -0.093 0.000 0.767 106 G HN 0.171 nan 8.290 nan 0.000 0.552 107 F N 0.505 120.375 119.950 -0.135 0.000 2.186 107 F HA 0.151 4.678 4.527 -0.000 0.000 0.299 107 F C 2.581 178.289 175.800 -0.153 0.000 1.090 107 F CA 0.765 58.677 58.000 -0.145 0.000 1.307 107 F CB -0.004 38.944 39.000 -0.087 0.000 1.019 107 F HN 0.059 nan 8.300 nan 0.000 0.489 108 I N -1.296 119.139 120.570 -0.224 0.000 2.286 108 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 108 I C 2.203 178.235 176.117 -0.141 0.000 1.104 108 I CA 0.631 61.711 61.300 -0.366 0.000 1.397 108 I CB -0.412 37.253 38.000 -0.559 0.000 1.072 108 I HN -0.104 nan 8.210 nan 0.000 0.417 109 V N -0.033 119.817 119.914 -0.106 0.000 2.295 109 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 109 V C 2.615 178.722 176.094 0.022 0.000 1.049 109 V CA 2.254 64.515 62.300 -0.065 0.000 1.024 109 V CB -0.492 31.292 31.823 -0.065 0.000 0.648 109 V HN 0.442 nan 8.190 nan 0.000 0.447 110 S N -0.302 115.453 115.700 0.091 0.000 2.383 110 S HA -0.202 4.267 4.470 -0.000 0.000 0.229 110 S C 2.081 176.936 174.600 0.425 0.000 1.030 110 S CA 1.729 60.090 58.200 0.269 0.000 1.002 110 S CB -0.303 63.066 63.200 0.282 0.000 0.829 110 S HN 0.618 nan 8.310 nan 0.000 0.467 111 A N 1.893 124.926 122.820 0.355 0.000 1.898 111 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 111 A C 2.148 179.716 177.584 -0.025 0.000 1.181 111 A CA 1.594 53.758 52.037 0.212 0.000 0.620 111 A CB -0.670 18.581 19.000 0.418 0.000 0.819 111 A HN 0.510 nan 8.150 nan 0.000 0.442 112 K N 0.473 120.859 120.400 -0.024 0.000 2.097 112 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 112 K C 2.022 178.563 176.600 -0.098 0.000 1.049 112 K CA 1.550 57.783 56.287 -0.090 0.000 0.933 112 K CB -0.478 31.915 32.500 -0.178 0.000 0.717 112 K HN 0.333 nan 8.250 nan 0.000 0.442 113 A N 1.491 124.277 122.820 -0.058 0.000 1.969 113 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 113 A C 2.122 179.547 177.584 -0.266 0.000 1.169 113 A CA 1.207 53.228 52.037 -0.026 0.000 0.635 113 A CB -0.469 18.630 19.000 0.166 0.000 0.810 113 A HN 0.372 nan 8.150 nan 0.000 0.445 114 L N -0.152 120.657 121.223 -0.691 0.000 2.056 114 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 114 L C 2.064 178.549 176.870 -0.641 0.000 1.078 114 L CA 1.692 55.701 54.840 -1.385 0.000 0.749 114 L CB -0.512 40.460 42.059 -1.812 0.000 0.901 114 L HN 0.379 nan 8.230 nan 0.000 0.433 115 L N -0.602 120.399 121.223 -0.370 0.000 2.376 115 L HA -0.115 4.225 4.340 -0.000 0.000 0.219 115 L C 1.876 178.670 176.870 -0.127 0.000 1.133 115 L CA 0.580 55.303 54.840 -0.195 0.000 0.816 115 L CB -0.802 41.205 42.059 -0.087 0.000 0.933 115 L HN 0.288 nan 8.230 nan 0.000 0.449 116 D N 0.420 120.746 120.400 -0.124 0.000 2.224 116 D HA -0.134 4.505 4.640 -0.000 0.000 0.205 116 D C 1.760 178.022 176.300 -0.063 0.000 0.965 116 D CA 1.103 55.066 54.000 -0.063 0.000 0.852 116 D CB 0.198 40.976 40.800 -0.038 0.000 0.947 116 D HN 0.491 nan 8.370 nan 0.000 0.494 117 E N -0.332 119.805 120.200 -0.107 0.000 2.431 117 E HA 0.112 4.462 4.350 -0.000 0.000 0.200 117 E C 0.450 176.999 176.600 -0.086 0.000 0.995 117 E CA -0.035 56.321 56.400 -0.074 0.000 0.915 117 E CB 0.673 30.341 29.700 -0.052 0.000 0.930 117 E HN 0.050 nan 8.360 nan 0.000 0.496 118 N N 0.473 119.094 118.700 -0.132 0.000 2.653 118 N HA 0.045 4.785 4.740 -0.000 0.000 0.261 118 N C 0.432 175.880 175.510 -0.104 0.000 1.216 118 N CA -0.108 52.876 53.050 -0.110 0.000 0.784 118 N CB 1.536 39.947 38.487 -0.127 0.000 1.327 118 N HN -0.134 nan 8.380 nan 0.000 0.539 119 V N 0.426 120.300 119.914 -0.066 0.000 2.867 119 V HA 0.126 4.246 4.120 -0.000 0.000 0.260 119 V C 0.997 177.064 176.094 -0.045 0.000 1.099 119 V CA 1.367 63.637 62.300 -0.050 0.000 1.122 119 V CB -0.564 31.241 31.823 -0.030 0.000 0.708 119 V HN 0.584 nan 8.190 nan 0.000 0.490 120 A N 1.500 124.291 122.820 -0.049 0.000 3.266 120 A HA 0.671 4.991 4.320 -0.000 0.000 0.310 120 A C -2.529 175.027 177.584 -0.047 0.000 1.066 120 A CA -0.963 51.050 52.037 -0.040 0.000 0.839 120 A CB 0.345 19.329 19.000 -0.027 0.000 1.192 120 A HN 0.389 nan 8.150 nan 0.000 0.496 121 P HA 0.433 nan 4.420 nan 0.000 0.287 121 P C 0.163 177.432 177.300 -0.051 0.000 1.270 121 P CA -0.075 62.984 63.100 -0.069 0.000 0.844 121 P CB 1.748 33.378 31.700 -0.116 0.000 1.068 122 S N 1.785 117.461 115.700 -0.040 0.000 2.645 122 S HA 0.275 4.745 4.470 -0.000 0.000 0.266 122 S C 1.387 175.967 174.600 -0.034 0.000 1.258 122 S CA -0.683 57.499 58.200 -0.029 0.000 0.990 122 S CB 0.982 64.170 63.200 -0.020 0.000 0.967 122 S HN 0.358 nan 8.310 nan 0.000 0.556 123 R N 0.627 121.112 120.500 -0.024 0.000 2.103 123 R HA -0.102 4.238 4.340 -0.000 0.000 0.242 123 R C 1.977 178.266 176.300 -0.018 0.000 1.142 123 R CA 1.629 57.717 56.100 -0.021 0.000 0.960 123 R CB -0.415 29.877 30.300 -0.013 0.000 0.858 123 R HN 0.670 nan 8.270 nan 0.000 0.439 124 E N 0.787 120.978 120.200 -0.015 0.000 2.110 124 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 124 E C 1.585 178.178 176.600 -0.012 0.000 0.988 124 E CA 1.024 57.417 56.400 -0.011 0.000 0.804 124 E CB -0.229 29.465 29.700 -0.009 0.000 0.745 124 E HN 0.335 nan 8.360 nan 0.000 0.458 125 D N 0.465 120.853 120.400 -0.020 0.000 2.104 125 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 125 D C 2.170 178.452 176.300 -0.030 0.000 0.994 125 D CA 0.982 54.972 54.000 -0.017 0.000 0.830 125 D CB -0.152 40.627 40.800 -0.036 0.000 0.959 125 D HN 0.022 nan 8.370 nan 0.000 0.452 126 V N 1.262 121.121 119.914 -0.091 0.000 2.287 126 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 126 V C 2.513 178.503 176.094 -0.175 0.000 1.053 126 V CA 1.663 63.836 62.300 -0.211 0.000 1.027 126 V CB -0.482 31.235 31.823 -0.176 0.000 0.646 126 V HN 0.115 nan 8.190 nan 0.000 0.447 127 R N 0.038 120.521 120.500 -0.028 0.000 2.091 127 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 127 R C 2.164 178.487 176.300 0.039 0.000 1.136 127 R CA 1.874 58.002 56.100 0.046 0.000 0.959 127 R CB -0.505 29.810 30.300 0.024 0.000 0.856 127 R HN 0.558 nan 8.270 nan 0.000 0.437 128 D N -0.304 120.108 120.400 0.020 0.000 2.144 128 D HA -0.226 4.414 4.640 -0.000 0.000 0.199 128 D C 1.565 177.895 176.300 0.050 0.000 0.984 128 D CA 0.788 54.797 54.000 0.015 0.000 0.834 128 D CB -0.231 40.579 40.800 0.018 0.000 0.955 128 D HN 0.382 nan 8.370 nan 0.000 0.465 129 W N 1.113 122.344 121.300 -0.115 0.000 2.355 129 W HA -0.194 4.466 4.660 -0.000 0.000 0.309 129 W C 1.893 178.478 176.519 0.110 0.000 1.206 129 W CA 0.970 58.291 57.345 -0.040 0.000 1.284 129 W CB -0.714 28.641 29.460 -0.174 0.000 1.145 129 W HN -0.027 nan 8.180 nan 0.000 0.502 130 F N 0.762 120.884 119.950 0.286 0.000 2.186 130 F HA -0.279 4.248 4.527 -0.000 0.000 0.299 130 F C 2.706 178.456 175.800 -0.084 0.000 1.090 130 F CA 1.301 59.370 58.000 0.114 0.000 1.307 130 F CB -0.654 38.467 39.000 0.201 0.000 1.019 130 F HN -0.026 nan 8.300 nan 0.000 0.489 131 Q N 1.505 121.343 119.800 0.064 0.000 2.020 131 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 131 Q C 1.847 177.659 176.000 -0.313 0.000 0.982 131 Q CA 1.855 57.587 55.803 -0.119 0.000 0.838 131 Q CB -0.242 28.432 28.738 -0.107 0.000 0.899 131 Q HN 0.231 nan 8.270 nan 0.000 0.423 132 K N -1.031 119.159 120.400 -0.349 0.000 2.147 132 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 132 K C 1.523 177.677 176.600 -0.744 0.000 1.049 132 K CA 1.488 57.441 56.287 -0.556 0.000 0.936 132 K CB -0.183 31.966 32.500 -0.584 0.000 0.722 132 K HN 0.457 nan 8.250 nan 0.000 0.446 133 H N -0.545 118.275 119.070 -0.416 0.000 2.526 133 H HA 0.149 4.705 4.556 -0.000 0.000 0.274 133 H C -0.583 174.678 175.328 -0.112 0.000 0.999 133 H CA -0.034 55.837 56.048 -0.295 0.000 1.157 133 H CB -0.034 29.491 29.762 -0.395 0.000 1.407 133 H HN 0.218 nan 8.280 nan 0.000 0.568 134 H N -0.301 118.734 119.070 -0.058 0.000 2.770 134 H HA -0.171 4.385 4.556 -0.000 0.000 0.309 134 H C -0.628 174.653 175.328 -0.078 0.000 1.206 134 H CA 0.192 56.209 56.048 -0.052 0.000 1.147 134 H CB -1.921 27.808 29.762 -0.055 0.000 1.422 134 H HN 0.519 nan 8.280 nan 0.000 0.420 135 N N 1.732 120.381 118.700 -0.084 0.000 2.482 135 N HA 0.149 4.889 4.740 -0.000 0.000 0.242 135 N C 0.605 176.066 175.510 -0.083 0.000 1.100 135 N CA -0.097 52.699 53.050 -0.424 0.000 0.946 135 N CB 0.734 38.612 38.487 -1.014 0.000 1.227 135 N HN 0.278 nan 8.380 nan 0.000 0.508 136 I N 0.991 121.648 120.570 0.146 0.000 2.428 136 I HA 0.289 4.459 4.170 -0.000 0.000 0.296 136 I C 0.570 177.008 176.117 0.534 0.000 0.985 136 I CA -0.718 60.833 61.300 0.418 0.000 1.260 136 I CB 1.406 39.550 38.000 0.240 0.000 1.389 136 I HN 0.332 nan 8.210 nan 0.000 0.484 137 C N 6.729 126.234 119.300 0.342 0.000 2.481 137 C HA 0.480 4.940 4.460 -0.000 0.000 0.324 137 C C 1.134 176.029 174.990 -0.159 0.000 1.170 137 C CA -0.595 58.434 59.018 0.017 0.000 1.361 137 C CB 1.245 28.783 27.740 -0.336 0.000 1.977 137 C HN 0.961 nan 8.230 nan 0.000 0.459 138 R N 2.700 123.196 120.500 -0.007 0.000 2.300 138 R HA 0.271 4.611 4.340 -0.000 0.000 0.199 138 R C 1.209 177.482 176.300 -0.045 0.000 0.920 138 R CA 1.382 57.438 56.100 -0.074 0.000 1.046 138 R CB -0.569 29.722 30.300 -0.016 0.000 0.984 138 R HN 0.879 nan 8.270 nan 0.000 0.493 139 C N -1.865 117.481 119.300 0.078 0.000 2.480 139 C HA 0.129 4.589 4.460 -0.000 0.000 0.304 139 C C 2.383 177.388 174.990 0.025 0.000 1.399 139 C CA 0.755 59.875 59.018 0.170 0.000 1.900 139 C CB -0.137 27.724 27.740 0.202 0.000 2.194 139 C HN 0.629 nan 8.230 nan 0.000 0.550 140 T N -1.448 113.050 114.554 -0.094 0.000 2.951 140 T HA 0.232 4.582 4.350 -0.000 0.000 0.268 140 T C 1.622 176.284 174.700 -0.064 0.000 1.073 140 T CA 1.674 63.723 62.100 -0.086 0.000 1.134 140 T CB -0.468 68.302 68.868 -0.164 0.000 0.884 140 T HN 1.111 nan 8.240 nan 0.000 0.479 141 G N 0.308 108.989 108.800 -0.200 0.000 2.141 141 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.242 141 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.242 141 G C 0.572 175.453 174.900 -0.032 0.000 0.982 141 G CA 0.343 45.395 45.100 -0.078 0.000 0.662 141 G HN 0.621 nan 8.290 nan 0.000 0.527 142 Y N -1.302 118.961 120.300 -0.062 0.000 2.902 142 Y HA -0.428 4.122 4.550 -0.000 0.000 0.486 142 Y C 2.317 178.140 175.900 -0.129 0.000 1.163 142 Y CA 2.992 61.044 58.100 -0.080 0.000 2.765 142 Y CB -1.518 36.955 38.460 0.021 0.000 0.870 142 Y HN 0.493 nan 8.280 nan 0.000 0.536 143 K N 0.715 121.072 120.400 -0.072 0.000 2.077 143 K HA -0.230 4.089 4.320 -0.000 0.000 0.213 143 K C -1.115 175.372 176.600 -0.189 0.000 1.051 143 K CA 2.607 58.759 56.287 -0.225 0.000 0.929 143 K CB -0.833 31.296 32.500 -0.619 0.000 0.715 143 K HN 0.322 nan 8.250 nan 0.000 0.451 144 P HA -0.150 nan 4.420 nan 0.000 0.217 144 P C 1.025 178.119 177.300 -0.343 0.000 1.150 144 P CA 0.888 63.902 63.100 -0.144 0.000 0.832 144 P CB 0.094 31.753 31.700 -0.068 0.000 0.787 145 L N -1.073 119.938 121.223 -0.353 0.000 2.017 145 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 145 L C 2.432 179.158 176.870 -0.241 0.000 1.073 145 L CA 1.751 56.297 54.840 -0.490 0.000 0.745 145 L CB -1.749 40.140 42.059 -0.283 0.000 0.894 145 L HN -0.114 nan 8.230 nan 0.000 0.432 146 V N -0.318 119.585 119.914 -0.018 0.000 2.307 146 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 146 V C 2.265 178.289 176.094 -0.117 0.000 1.045 146 V CA 1.648 63.972 62.300 0.040 0.000 1.024 146 V CB -0.559 31.300 31.823 0.061 0.000 0.651 146 V HN 0.374 nan 8.190 nan 0.000 0.449 147 D N 0.583 120.861 120.400 -0.203 0.000 2.133 147 D HA -0.202 4.438 4.640 -0.000 0.000 0.192 147 D C 2.199 178.129 176.300 -0.618 0.000 1.001 147 D CA 1.875 55.691 54.000 -0.307 0.000 0.844 147 D CB -0.354 40.313 40.800 -0.222 0.000 0.944 147 D HN 0.460 nan 8.370 nan 0.000 0.447 148 A N 0.398 122.776 122.820 -0.736 0.000 1.930 148 A HA -0.115 4.204 4.320 -0.000 0.000 0.217 148 A C 2.560 180.027 177.584 -0.195 0.000 1.175 148 A CA 1.189 52.833 52.037 -0.655 0.000 0.627 148 A CB -0.618 17.894 19.000 -0.813 0.000 0.815 148 A HN 0.159 nan 8.150 nan 0.000 0.443 149 V N 0.049 119.917 119.914 -0.077 0.000 2.307 149 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 149 V C 2.672 178.783 176.094 0.028 0.000 1.045 149 V CA 1.922 64.290 62.300 0.114 0.000 1.024 149 V CB -0.687 31.243 31.823 0.179 0.000 0.651 149 V HN 0.495 nan 8.190 nan 0.000 0.449 150 M N -0.332 119.247 119.600 -0.035 0.000 2.149 150 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 150 M C 1.948 178.242 176.300 -0.010 0.000 1.064 150 M CA 1.747 57.029 55.300 -0.031 0.000 1.102 150 M CB -1.303 31.271 32.600 -0.043 0.000 1.369 150 M HN 0.353 nan 8.290 nan 0.000 0.408 151 D N 0.291 120.680 120.400 -0.020 0.000 2.103 151 D HA 0.005 4.645 4.640 -0.000 0.000 0.199 151 D C 2.026 178.363 176.300 0.061 0.000 0.978 151 D CA 1.582 55.605 54.000 0.039 0.000 0.829 151 D CB -0.104 40.755 40.800 0.099 0.000 0.981 151 D HN 0.305 nan 8.370 nan 0.000 0.464 152 A N 0.839 123.710 122.820 0.086 0.000 1.978 152 A HA -0.073 4.246 4.320 -0.000 0.000 0.220 152 A C 2.259 179.884 177.584 0.068 0.000 1.170 152 A CA 2.149 54.254 52.037 0.112 0.000 0.636 152 A CB -0.637 18.480 19.000 0.196 0.000 0.810 152 A HN 0.235 nan 8.150 nan 0.000 0.448 153 A N -0.060 122.789 122.820 0.047 0.000 1.877 153 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 153 A C 2.517 180.107 177.584 0.009 0.000 1.186 153 A CA 2.055 54.102 52.037 0.018 0.000 0.620 153 A CB -1.065 17.932 19.000 -0.005 0.000 0.822 153 A HN 1.088 nan 8.150 nan 0.000 0.443 154 A N -0.130 122.698 122.820 0.012 0.000 1.933 154 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 154 A C 2.086 179.673 177.584 0.005 0.000 1.175 154 A CA 1.548 53.590 52.037 0.008 0.000 0.628 154 A CB -0.616 18.392 19.000 0.014 0.000 0.814 154 A HN 0.527 nan 8.150 nan 0.000 0.444 155 I N -0.710 119.866 120.570 0.010 0.000 2.353 155 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 155 I C 2.143 178.249 176.117 -0.018 0.000 1.119 155 I CA 0.889 62.187 61.300 -0.005 0.000 1.417 155 I CB -0.278 37.721 38.000 -0.003 0.000 1.078 155 I HN 0.250 nan 8.210 nan 0.000 0.421 156 L N 0.159 121.375 121.223 -0.011 0.000 2.291 156 L HA -0.077 4.262 4.340 -0.000 0.000 0.214 156 L C 2.428 179.290 176.870 -0.013 0.000 1.120 156 L CA 0.890 55.719 54.840 -0.017 0.000 0.799 156 L CB -0.356 41.703 42.059 0.000 0.000 0.925 156 L HN 0.139 nan 8.230 nan 0.000 0.446 157 R N -0.163 120.332 120.500 -0.009 0.000 2.297 157 R HA 0.060 4.400 4.340 -0.000 0.000 0.197 157 R C 1.229 177.522 176.300 -0.010 0.000 0.943 157 R CA 0.585 56.680 56.100 -0.009 0.000 1.038 157 R CB 0.160 30.455 30.300 -0.008 0.000 0.957 157 R HN 0.405 nan 8.270 nan 0.000 0.484 158 G N 1.054 109.847 108.800 -0.012 0.000 2.143 158 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 158 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 158 G C 0.451 175.344 174.900 -0.011 0.000 0.991 158 G CA 0.584 45.676 45.100 -0.014 0.000 0.689 158 G HN 0.456 nan 8.290 nan 0.000 0.522 159 E N -0.517 119.678 120.200 -0.007 0.000 2.250 159 E HA 0.097 4.447 4.350 -0.000 0.000 0.192 159 E C 1.072 177.671 176.600 -0.003 0.000 0.986 159 E CA 0.637 57.034 56.400 -0.004 0.000 0.849 159 E CB 0.234 29.933 29.700 -0.002 0.000 0.797 159 E HN 0.469 nan 8.360 nan 0.000 0.482 160 K N 0.450 120.848 120.400 -0.003 0.000 2.477 160 K HA 0.306 4.626 4.320 -0.000 0.000 0.255 160 K C -0.650 175.942 176.600 -0.012 0.000 0.952 160 K CA -0.434 55.852 56.287 -0.002 0.000 0.826 160 K CB 2.416 34.922 32.500 0.011 0.000 1.331 160 K HN -0.147 nan 8.250 nan 0.000 0.437 161 T N 0.005 114.547 114.554 -0.020 0.000 2.943 161 T HA 0.190 4.540 4.350 -0.000 0.000 0.284 161 T C 1.381 176.051 174.700 -0.051 0.000 1.015 161 T CA -0.616 61.461 62.100 -0.038 0.000 1.042 161 T CB 1.264 70.109 68.868 -0.039 0.000 1.055 161 T HN 0.243 nan 8.240 nan 0.000 0.500 162 V N 3.114 122.970 119.914 -0.097 0.000 2.255 162 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 162 V C 2.477 178.504 176.094 -0.110 0.000 1.051 162 V CA 2.191 64.398 62.300 -0.156 0.000 1.018 162 V CB -0.699 30.902 31.823 -0.369 0.000 0.641 162 V HN 0.936 nan 8.190 nan 0.000 0.445 163 E N -0.428 119.714 120.200 -0.097 0.000 2.273 163 E HA -0.294 4.056 4.350 -0.000 0.000 0.198 163 E C 2.153 178.730 176.600 -0.040 0.000 1.002 163 E CA 1.310 57.674 56.400 -0.061 0.000 0.828 163 E CB -0.123 29.546 29.700 -0.053 0.000 0.747 163 E HN 0.688 nan 8.360 nan 0.000 0.491 164 E N 0.796 120.976 120.200 -0.033 0.000 2.158 164 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 164 E C 1.995 178.593 176.600 -0.004 0.000 0.982 164 E CA 0.750 57.139 56.400 -0.019 0.000 0.823 164 E CB 0.107 29.799 29.700 -0.013 0.000 0.766 164 E HN 0.427 nan 8.360 nan 0.000 0.468 165 I N -1.915 118.661 120.570 0.010 0.000 3.883 165 I HA 0.230 4.400 4.170 -0.000 0.000 0.326 165 I C 0.221 176.359 176.117 0.036 0.000 1.283 165 I CA -0.400 60.919 61.300 0.032 0.000 1.161 165 I CB 0.832 38.877 38.000 0.076 0.000 1.012 165 I HN -0.218 nan 8.210 nan 0.000 0.421 166 S N 1.437 117.157 115.700 0.034 0.000 2.584 166 S HA 0.319 4.789 4.470 -0.000 0.000 0.273 166 S C -0.395 174.251 174.600 0.077 0.000 1.311 166 S CA -0.519 57.724 58.200 0.071 0.000 1.034 166 S CB 0.858 64.095 63.200 0.062 0.000 0.939 166 S HN 0.350 nan 8.310 nan 0.000 0.513 167 F N 2.942 122.878 119.950 -0.023 0.000 2.572 167 F HA 0.256 4.783 4.527 -0.000 0.000 0.370 167 F C 0.186 175.970 175.800 -0.027 0.000 1.103 167 F CA 0.165 58.144 58.000 -0.036 0.000 1.286 167 F CB 0.236 39.209 39.000 -0.045 0.000 1.105 167 F HN 0.385 nan 8.300 nan 0.000 0.583 168 K N 6.777 126.640 120.400 -0.896 0.000 2.324 168 K HA 0.356 4.675 4.320 -0.000 0.000 0.253 168 K C -0.658 175.340 176.600 -1.004 0.000 0.932 168 K CA -1.141 54.734 56.287 -0.686 0.000 0.799 168 K CB 1.742 34.035 32.500 -0.346 0.000 1.154 168 K HN 0.495 nan 8.250 nan 0.000 0.425 169 M N 4.417 123.654 119.600 -0.605 0.000 2.269 169 M HA 0.078 4.558 4.480 -0.000 0.000 0.350 169 M C -1.749 174.402 176.300 -0.249 0.000 1.429 169 M CA -1.513 53.567 55.300 -0.367 0.000 1.063 169 M CB -0.661 31.863 32.600 -0.128 0.000 1.841 169 M HN 0.499 nan 8.290 nan 0.000 0.455 170 P HA 0.225 nan 4.420 nan 0.000 0.274 170 P C 0.035 177.308 177.300 -0.045 0.000 1.246 170 P CA -0.287 62.758 63.100 -0.091 0.000 0.795 170 P CB 0.445 32.126 31.700 -0.032 0.000 1.006 171 A N 0.525 123.325 122.820 -0.032 0.000 2.125 171 A HA -0.173 4.146 4.320 -0.000 0.000 0.219 171 A C 1.860 179.445 177.584 0.001 0.000 1.156 171 A CA 1.644 53.671 52.037 -0.016 0.000 0.671 171 A CB -1.050 17.941 19.000 -0.015 0.000 0.794 171 A HN 0.540 nan 8.150 nan 0.000 0.459 172 D N -1.116 119.289 120.400 0.010 0.000 2.097 172 D HA 0.080 4.719 4.640 -0.000 0.000 0.197 172 D C 1.734 178.062 176.300 0.047 0.000 0.984 172 D CA 2.035 56.051 54.000 0.027 0.000 0.826 172 D CB -0.151 40.670 40.800 0.037 0.000 0.973 172 D HN 0.561 nan 8.370 nan 0.000 0.460 173 G N -0.194 108.641 108.800 0.058 0.000 2.217 173 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.246 173 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.246 173 G C 0.347 175.351 174.900 0.173 0.000 0.990 173 G CA 0.165 45.325 45.100 0.100 0.000 0.627 173 G HN 0.368 nan 8.290 nan 0.000 0.522 174 R N 0.576 121.160 120.500 0.140 0.000 2.340 174 R HA 0.541 4.881 4.340 -0.000 0.000 0.300 174 R C 1.668 178.034 176.300 0.111 0.000 1.069 174 R CA 0.310 56.508 56.100 0.163 0.000 0.984 174 R CB 0.483 30.854 30.300 0.118 0.000 1.003 174 R HN 0.573 nan 8.270 nan 0.000 0.459 175 I N -0.975 119.622 120.570 0.044 0.000 4.082 175 I HA 0.217 4.386 4.170 -0.000 0.000 0.337 175 I C 0.041 176.153 176.117 -0.009 0.000 1.352 175 I CA -0.431 60.845 61.300 -0.040 0.000 1.097 175 I CB 0.399 38.255 38.000 -0.239 0.000 1.048 175 I HN 0.510 nan 8.210 nan 0.000 0.393 176 W N 4.357 125.610 121.300 -0.078 0.000 2.419 176 W HA 0.380 5.040 4.660 -0.000 0.000 0.312 176 W C 0.779 177.246 176.519 -0.086 0.000 1.323 176 W CA 0.948 58.234 57.345 -0.098 0.000 1.293 176 W CB 0.727 30.091 29.460 -0.160 0.000 1.324 176 W HN 0.479 nan 8.180 nan 0.000 0.512 177 G N 3.361 111.828 108.800 -0.555 0.000 2.176 177 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.232 177 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.232 177 G C 0.318 175.081 174.900 -0.228 0.000 0.986 177 G CA 0.310 45.171 45.100 -0.398 0.000 0.643 177 G HN 0.943 nan 8.290 nan 0.000 0.522 178 S N -0.753 114.830 115.700 -0.195 0.000 2.671 178 S HA 0.703 5.173 4.470 -0.000 0.000 0.272 178 S C 0.909 175.350 174.600 -0.265 0.000 1.174 178 S CA 0.664 58.779 58.200 -0.141 0.000 1.004 178 S CB 1.785 64.938 63.200 -0.078 0.000 1.077 178 S HN 0.568 nan 8.310 nan 0.000 0.553 179 S N 0.286 115.817 115.700 -0.282 0.000 2.562 179 S HA 0.307 4.777 4.470 -0.000 0.000 0.246 179 S C 0.287 174.537 174.600 -0.583 0.000 1.056 179 S CA -0.562 57.449 58.200 -0.314 0.000 1.042 179 S CB -0.796 62.328 63.200 -0.127 0.000 0.822 179 S HN 0.636 nan 8.310 nan 0.000 0.465 180 I N 4.359 124.311 120.570 -1.030 0.000 2.668 180 I HA 0.106 4.275 4.170 -0.000 0.000 0.285 180 I C -2.032 173.781 176.117 -0.507 0.000 1.168 180 I CA -1.819 58.765 61.300 -1.193 0.000 1.424 180 I CB 0.856 38.185 38.000 -1.117 0.000 1.377 180 I HN 0.068 nan 8.210 nan 0.000 0.560 181 P HA -0.027 nan 4.420 nan 0.000 0.268 181 P C -1.206 176.004 177.300 -0.151 0.000 1.208 181 P CA -0.068 62.938 63.100 -0.158 0.000 0.777 181 P CB 0.260 31.927 31.700 -0.054 0.000 0.875 182 R N 2.372 122.804 120.500 -0.114 0.000 2.539 182 R HA 0.243 4.583 4.340 -0.000 0.000 0.275 182 R C -1.969 174.282 176.300 -0.081 0.000 1.077 182 R CA -1.371 54.659 56.100 -0.115 0.000 1.097 182 R CB -0.782 29.452 30.300 -0.109 0.000 1.018 182 R HN 0.192 nan 8.270 nan 0.000 0.483 183 P HA -0.253 nan 4.420 nan 0.000 0.216 183 P C 0.994 178.269 177.300 -0.041 0.000 1.154 183 P CA 2.110 65.174 63.100 -0.059 0.000 0.865 183 P CB 0.071 31.730 31.700 -0.069 0.000 0.789 184 S N -1.823 113.848 115.700 -0.049 0.000 2.607 184 S HA 0.177 4.647 4.470 -0.000 0.000 0.224 184 S C 1.836 176.432 174.600 -0.006 0.000 0.969 184 S CA 0.449 58.629 58.200 -0.034 0.000 0.927 184 S CB -0.939 62.231 63.200 -0.050 0.000 0.772 184 S HN 0.098 nan 8.310 nan 0.000 0.533 185 A N 2.211 125.031 122.820 0.000 0.000 1.859 185 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 185 A C 2.349 179.955 177.584 0.038 0.000 1.198 185 A CA 2.061 54.118 52.037 0.033 0.000 0.629 185 A CB -1.431 17.589 19.000 0.033 0.000 0.830 185 A HN 0.465 nan 8.150 nan 0.000 0.446 186 V N -0.200 119.724 119.914 0.017 0.000 2.282 186 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 186 V C 3.068 179.165 176.094 0.005 0.000 1.057 186 V CA 2.311 64.613 62.300 0.004 0.000 1.032 186 V CB -1.265 30.555 31.823 -0.004 0.000 0.645 186 V HN 0.675 nan 8.190 nan 0.000 0.447 187 A N -0.788 122.035 122.820 0.006 0.000 1.972 187 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 187 A C 2.277 179.875 177.584 0.024 0.000 1.169 187 A CA 1.998 54.039 52.037 0.006 0.000 0.635 187 A CB -0.377 18.618 19.000 -0.008 0.000 0.810 187 A HN 0.585 nan 8.150 nan 0.000 0.446 188 K N -0.368 120.056 120.400 0.040 0.000 2.076 188 K HA -0.032 4.288 4.320 -0.000 0.000 0.204 188 K C 1.687 178.319 176.600 0.053 0.000 1.051 188 K CA 1.340 57.677 56.287 0.082 0.000 0.949 188 K CB -0.230 32.337 32.500 0.112 0.000 0.726 188 K HN 0.478 nan 8.250 nan 0.000 0.443 189 V N -0.618 119.314 119.914 0.030 0.000 3.510 189 V HA -0.033 4.087 4.120 -0.000 0.000 0.270 189 V C 1.536 177.597 176.094 -0.056 0.000 1.201 189 V CA 1.546 63.829 62.300 -0.029 0.000 1.166 189 V CB -0.750 31.081 31.823 0.014 0.000 0.825 189 V HN 0.311 nan 8.190 nan 0.000 0.484 190 T N -4.072 110.467 114.554 -0.025 0.000 2.990 190 T HA 0.451 4.801 4.350 -0.000 0.000 0.250 190 T C 1.638 176.326 174.700 -0.020 0.000 1.041 190 T CA 0.745 62.828 62.100 -0.028 0.000 1.010 190 T CB 0.487 69.346 68.868 -0.016 0.000 1.003 190 T HN 1.516 nan 8.240 nan 0.000 0.499 191 G N 1.433 110.233 108.800 0.001 0.000 2.137 191 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.237 191 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.237 191 G C 0.525 175.448 174.900 0.038 0.000 1.002 191 G CA 0.373 45.484 45.100 0.019 0.000 0.702 191 G HN 0.541 nan 8.290 nan 0.000 0.515 192 L N -0.065 121.178 121.223 0.034 0.000 2.416 192 L HA 0.435 4.774 4.340 -0.000 0.000 0.216 192 L C 2.090 178.980 176.870 0.034 0.000 1.098 192 L CA 0.540 55.397 54.840 0.028 0.000 0.840 192 L CB -0.108 41.958 42.059 0.012 0.000 0.981 192 L HN 0.472 nan 8.230 nan 0.000 0.462 193 A N 1.460 124.303 122.820 0.038 0.000 2.548 193 A HA -0.037 4.283 4.320 -0.000 0.000 0.247 193 A C 0.286 177.867 177.584 -0.006 0.000 1.067 193 A CA 0.252 52.272 52.037 -0.028 0.000 0.757 193 A CB -0.220 18.750 19.000 -0.050 0.000 0.996 193 A HN 0.313 nan 8.150 nan 0.000 0.504 194 E N 2.684 122.843 120.200 -0.068 0.000 2.115 194 E HA 0.475 4.825 4.350 -0.000 0.000 0.282 194 E C -1.168 175.417 176.600 -0.025 0.000 0.987 194 E CA -0.345 56.079 56.400 0.040 0.000 0.797 194 E CB 0.378 30.113 29.700 0.060 0.000 1.086 194 E HN 0.515 nan 8.360 nan 0.000 0.397 195 F N 1.495 121.553 119.950 0.180 0.000 2.380 195 F HA 0.336 4.863 4.527 -0.000 0.000 0.319 195 F C 1.748 177.704 175.800 0.260 0.000 1.113 195 F CA -0.014 58.125 58.000 0.231 0.000 1.056 195 F CB 0.720 39.929 39.000 0.347 0.000 1.289 195 F HN 0.660 nan 8.300 nan 0.000 0.515 196 G N 0.463 109.534 108.800 0.450 0.000 2.529 196 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.219 196 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.219 196 G C 1.662 176.913 174.900 0.584 0.000 1.177 196 G CA 1.161 46.538 45.100 0.462 0.000 0.773 196 G HN 0.754 nan 8.290 nan 0.000 0.573 197 A N 1.003 124.117 122.820 0.490 0.000 1.902 197 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 197 A C 2.101 179.844 177.584 0.264 0.000 1.181 197 A CA 2.108 54.409 52.037 0.440 0.000 0.623 197 A CB -0.481 18.733 19.000 0.357 0.000 0.818 197 A HN 0.340 nan 8.150 nan 0.000 0.443 198 D N 0.387 120.953 120.400 0.276 0.000 2.133 198 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 198 D C 2.158 178.509 176.300 0.087 0.000 0.997 198 D CA 1.590 55.694 54.000 0.173 0.000 0.840 198 D CB -0.498 40.434 40.800 0.219 0.000 0.947 198 D HN 0.462 nan 8.370 nan 0.000 0.452 199 A N 1.286 124.175 122.820 0.116 0.000 2.024 199 A HA -0.094 4.225 4.320 -0.000 0.000 0.220 199 A C 2.366 179.829 177.584 -0.200 0.000 1.164 199 A CA 2.043 54.060 52.037 -0.033 0.000 0.643 199 A CB -0.607 18.382 19.000 -0.018 0.000 0.806 199 A HN 0.253 nan 8.150 nan 0.000 0.451 200 A N -0.139 122.517 122.820 -0.272 0.000 1.986 200 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 200 A C 2.034 179.503 177.584 -0.191 0.000 1.171 200 A CA 1.591 53.344 52.037 -0.472 0.000 0.640 200 A CB -0.563 17.988 19.000 -0.749 0.000 0.811 200 A HN 0.529 nan 8.150 nan 0.000 0.451 201 L N -1.726 119.428 121.223 -0.114 0.000 2.395 201 L HA -0.010 4.330 4.340 -0.000 0.000 0.218 201 L C 2.013 178.840 176.870 -0.071 0.000 1.130 201 L CA 0.677 55.477 54.840 -0.066 0.000 0.826 201 L CB -0.215 41.822 42.059 -0.036 0.000 0.941 201 L HN 0.294 nan 8.230 nan 0.000 0.451 202 R N -0.862 119.580 120.500 -0.097 0.000 2.468 202 R HA 0.301 4.641 4.340 -0.000 0.000 0.280 202 R C 0.213 176.431 176.300 -0.137 0.000 0.963 202 R CA -0.183 55.860 56.100 -0.096 0.000 1.083 202 R CB 0.273 30.527 30.300 -0.076 0.000 1.200 202 R HN 0.254 nan 8.270 nan 0.000 0.541 203 M N 1.614 121.113 119.600 -0.168 0.000 2.267 203 M HA 0.292 4.771 4.480 -0.000 0.000 0.303 203 M C -1.736 174.481 176.300 -0.138 0.000 1.164 203 M CA -1.822 53.358 55.300 -0.200 0.000 1.060 203 M CB 0.357 32.803 32.600 -0.257 0.000 1.455 203 M HN -0.136 nan 8.290 nan 0.000 0.483 204 P HA 0.048 nan 4.420 nan 0.000 0.272 204 P C -0.355 176.901 177.300 -0.072 0.000 1.254 204 P CA 0.021 63.060 63.100 -0.101 0.000 0.795 204 P CB 0.493 32.126 31.700 -0.110 0.000 1.022 205 E N 0.579 120.747 120.200 -0.053 0.000 2.023 205 E HA -0.225 4.124 4.350 -0.000 0.000 0.196 205 E C 1.564 178.146 176.600 -0.031 0.000 1.003 205 E CA 1.882 58.262 56.400 -0.033 0.000 0.809 205 E CB -0.687 28.997 29.700 -0.027 0.000 0.755 205 E HN 0.651 nan 8.360 nan 0.000 0.449 206 N N 0.939 119.611 118.700 -0.047 0.000 2.635 206 N HA -0.077 4.663 4.740 -0.000 0.000 0.191 206 N C -0.067 175.392 175.510 -0.085 0.000 1.155 206 N CA 0.285 53.296 53.050 -0.065 0.000 0.927 206 N CB -0.141 38.303 38.487 -0.071 0.000 0.976 206 N HN -0.142 nan 8.380 nan 0.000 0.448 207 T N 1.320 115.832 114.554 -0.071 0.000 2.928 207 T HA 0.090 4.440 4.350 -0.000 0.000 0.305 207 T C -0.037 174.613 174.700 -0.083 0.000 1.035 207 T CA -0.133 61.907 62.100 -0.099 0.000 1.145 207 T CB 0.784 69.574 68.868 -0.131 0.000 0.963 207 T HN 0.042 nan 8.240 nan 0.000 0.545 208 L N 3.182 124.333 121.223 -0.121 0.000 2.352 208 L HA 0.417 4.757 4.340 -0.000 0.000 0.269 208 L C 0.338 177.121 176.870 -0.145 0.000 1.034 208 L CA -0.435 54.375 54.840 -0.049 0.000 0.806 208 L CB 1.176 43.197 42.059 -0.062 0.000 1.244 208 L HN 0.648 nan 8.230 nan 0.000 0.447 209 H N 3.227 122.341 119.070 0.073 0.000 2.547 209 H HA 0.467 5.023 4.556 -0.000 0.000 0.342 209 H C -0.849 174.552 175.328 0.121 0.000 1.048 209 H CA -0.657 55.461 56.048 0.117 0.000 1.204 209 H CB 1.680 31.501 29.762 0.099 0.000 1.493 209 H HN 0.342 nan 8.280 nan 0.000 0.511 210 L N 1.697 123.047 121.223 0.211 0.000 2.399 210 L HA 0.724 5.064 4.340 -0.000 0.000 0.265 210 L C 0.309 177.285 176.870 0.177 0.000 1.089 210 L CA -0.862 54.082 54.840 0.174 0.000 0.802 210 L CB 1.354 43.501 42.059 0.147 0.000 1.180 210 L HN 0.575 nan 8.230 nan 0.000 0.454 211 A N 2.190 125.092 122.820 0.136 0.000 2.520 211 A HA 0.719 5.039 4.320 -0.000 0.000 0.298 211 A C -1.125 176.505 177.584 0.077 0.000 1.051 211 A CA -0.530 51.569 52.037 0.105 0.000 0.690 211 A CB 1.413 20.465 19.000 0.086 0.000 1.281 211 A HN 0.589 nan 8.150 nan 0.000 0.402 212 L N 1.386 122.632 121.223 0.039 0.000 2.325 212 L HA 0.698 5.038 4.340 -0.000 0.000 0.279 212 L C 0.603 177.470 176.870 -0.004 0.000 1.054 212 L CA -0.670 54.176 54.840 0.010 0.000 0.804 212 L CB 1.921 43.948 42.059 -0.053 0.000 1.200 212 L HN 0.837 nan 8.230 nan 0.000 0.436 213 A N 3.389 126.231 122.820 0.037 0.000 2.412 213 A HA 0.485 4.804 4.320 -0.000 0.000 0.334 213 A C -0.373 177.289 177.584 0.129 0.000 1.419 213 A CA -0.514 51.586 52.037 0.105 0.000 0.930 213 A CB 0.183 19.292 19.000 0.182 0.000 1.149 213 A HN 0.763 nan 8.150 nan 0.000 0.515 214 Q N 1.208 121.009 119.800 0.002 0.000 2.230 214 Q HA 0.598 4.938 4.340 -0.000 0.000 0.248 214 Q C 0.236 176.192 176.000 -0.073 0.000 0.915 214 Q CA -0.553 55.163 55.803 -0.145 0.000 0.900 214 Q CB 1.767 30.318 28.738 -0.313 0.000 1.229 214 Q HN 0.806 nan 8.270 nan 0.000 0.439 215 A N 1.951 124.634 122.820 -0.228 0.000 2.425 215 A HA 0.135 4.454 4.320 -0.000 0.000 0.249 215 A C 0.221 177.630 177.584 -0.292 0.000 1.084 215 A CA -0.204 51.710 52.037 -0.205 0.000 0.781 215 A CB 0.293 19.140 19.000 -0.255 0.000 1.019 215 A HN 0.600 nan 8.150 nan 0.000 0.490 216 K N 1.123 121.441 120.400 -0.138 0.000 2.414 216 K HA 0.207 4.527 4.320 -0.000 0.000 0.204 216 K C 0.043 176.747 176.600 0.173 0.000 1.026 216 K CA 0.361 56.572 56.287 -0.127 0.000 1.108 216 K CB -0.034 32.483 32.500 0.029 0.000 0.855 216 K HN 0.696 nan 8.250 nan 0.000 0.517 217 V N -2.917 117.062 119.914 0.108 0.000 2.864 217 V HA 0.444 4.563 4.120 -0.000 0.000 0.314 217 V C 0.977 177.154 176.094 0.137 0.000 1.073 217 V CA -0.703 61.680 62.300 0.137 0.000 0.956 217 V CB 2.117 33.977 31.823 0.061 0.000 1.023 217 V HN -0.088 nan 8.190 nan 0.000 0.435 218 S N 0.438 116.219 115.700 0.134 0.000 2.425 218 S HA 0.124 4.594 4.470 -0.000 0.000 0.225 218 S C 0.405 175.081 174.600 0.127 0.000 1.024 218 S CA 1.021 59.295 58.200 0.123 0.000 0.951 218 S CB -0.401 62.843 63.200 0.073 0.000 0.796 218 S HN 0.945 nan 8.310 nan 0.000 0.498 219 H N -0.671 118.382 119.070 -0.028 0.000 2.966 219 H HA 0.613 5.169 4.556 -0.000 0.000 0.347 219 H C -1.167 174.111 175.328 -0.084 0.000 1.048 219 H CA -0.423 55.591 56.048 -0.057 0.000 1.295 219 H CB 1.330 31.064 29.762 -0.047 0.000 1.744 219 H HN 0.259 nan 8.280 nan 0.000 0.513 220 A N 4.537 127.341 122.820 -0.026 0.000 2.567 220 A HA 0.370 4.690 4.320 -0.000 0.000 0.291 220 A C -1.960 175.526 177.584 -0.164 0.000 1.048 220 A CA -0.758 51.188 52.037 -0.153 0.000 0.661 220 A CB 1.193 20.134 19.000 -0.099 0.000 1.288 220 A HN 0.542 nan 8.150 nan 0.000 0.424 221 L N 1.046 122.181 121.223 -0.146 0.000 2.325 221 L HA 0.501 4.841 4.340 -0.000 0.000 0.279 221 L C -0.532 176.273 176.870 -0.107 0.000 1.054 221 L CA -0.510 54.256 54.840 -0.124 0.000 0.804 221 L CB 1.385 43.390 42.059 -0.090 0.000 1.200 221 L HN 0.598 nan 8.230 nan 0.000 0.436 222 I N 3.916 124.419 120.570 -0.112 0.000 2.291 222 I HA 0.105 4.274 4.170 -0.000 0.000 0.290 222 I C 0.917 177.012 176.117 -0.036 0.000 1.050 222 I CA -0.365 60.883 61.300 -0.087 0.000 1.245 222 I CB 0.973 38.901 38.000 -0.119 0.000 1.405 222 I HN 0.592 nan 8.210 nan 0.000 0.478 223 K N 4.293 124.686 120.400 -0.010 0.000 2.243 223 K HA 0.258 4.578 4.320 -0.000 0.000 0.201 223 K C 0.745 177.365 176.600 0.032 0.000 1.051 223 K CA 0.161 56.452 56.287 0.007 0.000 0.970 223 K CB 0.444 32.948 32.500 0.007 0.000 0.755 223 K HN 0.801 nan 8.250 nan 0.000 0.465 224 G N 0.344 109.177 108.800 0.055 0.000 2.442 224 G HA2 0.444 4.404 3.960 -0.000 0.000 0.296 224 G HA3 0.444 4.404 3.960 -0.000 0.000 0.296 224 G C -1.615 173.362 174.900 0.128 0.000 1.564 224 G CA -0.821 44.327 45.100 0.080 0.000 0.828 224 G HN -0.021 nan 8.290 nan 0.000 0.571 225 I N 1.113 121.762 120.570 0.133 0.000 2.418 225 I HA 0.304 4.473 4.170 -0.000 0.000 0.287 225 I C -1.316 174.857 176.117 0.092 0.000 1.008 225 I CA -0.637 60.774 61.300 0.184 0.000 1.104 225 I CB 2.291 40.414 38.000 0.205 0.000 1.264 225 I HN 0.417 nan 8.210 nan 0.000 0.438 226 D N 4.039 124.473 120.400 0.057 0.000 2.454 226 D HA 0.194 4.834 4.640 -0.000 0.000 0.225 226 D C 1.040 177.328 176.300 -0.020 0.000 1.081 226 D CA -0.315 53.688 54.000 0.004 0.000 0.864 226 D CB 1.206 41.997 40.800 -0.015 0.000 1.040 226 D HN 0.623 nan 8.370 nan 0.000 0.517 227 T N -0.317 114.231 114.554 -0.010 0.000 3.081 227 T HA -0.072 4.278 4.350 -0.000 0.000 0.255 227 T C 1.968 176.653 174.700 -0.026 0.000 1.113 227 T CA 0.660 62.750 62.100 -0.017 0.000 1.082 227 T CB -0.224 68.641 68.868 -0.006 0.000 0.939 227 T HN 0.281 nan 8.240 nan 0.000 0.506 228 S N 2.782 118.467 115.700 -0.026 0.000 2.393 228 S HA -0.368 4.101 4.470 -0.000 0.000 0.235 228 S C 1.909 176.492 174.600 -0.028 0.000 1.061 228 S CA 1.848 60.033 58.200 -0.026 0.000 1.129 228 S CB -0.994 62.191 63.200 -0.024 0.000 1.011 228 S HN 0.670 nan 8.310 nan 0.000 0.436 229 E N 1.490 121.670 120.200 -0.034 0.000 2.110 229 E HA -0.024 4.326 4.350 -0.000 0.000 0.193 229 E C 2.478 179.060 176.600 -0.030 0.000 0.988 229 E CA 0.923 57.303 56.400 -0.034 0.000 0.804 229 E CB -0.420 29.255 29.700 -0.043 0.000 0.745 229 E HN 0.752 nan 8.360 nan 0.000 0.458 230 A N 1.285 124.085 122.820 -0.033 0.000 1.930 230 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 230 A C 1.849 179.425 177.584 -0.012 0.000 1.175 230 A CA 1.173 53.196 52.037 -0.023 0.000 0.627 230 A CB -0.290 18.695 19.000 -0.025 0.000 0.815 230 A HN 0.158 nan 8.150 nan 0.000 0.443 231 E N 0.140 120.330 120.200 -0.017 0.000 2.077 231 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 231 E C 1.856 178.446 176.600 -0.018 0.000 0.989 231 E CA 1.417 57.805 56.400 -0.018 0.000 0.800 231 E CB -0.171 29.512 29.700 -0.028 0.000 0.746 231 E HN 0.586 nan 8.360 nan 0.000 0.452 232 K N -0.023 120.366 120.400 -0.018 0.000 2.283 232 K HA -0.022 4.298 4.320 -0.000 0.000 0.202 232 K C 0.784 177.379 176.600 -0.009 0.000 1.048 232 K CA 0.295 56.573 56.287 -0.015 0.000 0.948 232 K CB 0.025 32.515 32.500 -0.017 0.000 0.742 232 K HN 0.095 nan 8.250 nan 0.000 0.458 233 M N 2.020 121.616 119.600 -0.006 0.000 2.245 233 M HA 0.021 4.500 4.480 -0.000 0.000 0.312 233 M C -2.142 174.163 176.300 0.008 0.000 1.070 233 M CA -1.591 53.708 55.300 -0.000 0.000 1.162 233 M CB -0.624 31.977 32.600 0.001 0.000 1.448 233 M HN -0.109 nan 8.290 nan 0.000 0.446 234 P HA 0.192 nan 4.420 nan 0.000 0.271 234 P C 0.710 178.025 177.300 0.026 0.000 1.233 234 P CA 0.503 63.612 63.100 0.015 0.000 0.764 234 P CB 0.533 32.239 31.700 0.010 0.000 0.825 235 G N 2.247 111.070 108.800 0.037 0.000 2.241 235 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 235 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 235 G C 0.028 174.981 174.900 0.087 0.000 0.998 235 G CA -0.083 45.052 45.100 0.057 0.000 0.621 235 G HN 0.517 nan 8.290 nan 0.000 0.519 236 V N 1.630 121.587 119.914 0.072 0.000 2.450 236 V HA 0.241 4.360 4.120 -0.000 0.000 0.281 236 V C 1.220 177.379 176.094 0.108 0.000 1.019 236 V CA 0.901 63.253 62.300 0.087 0.000 1.062 236 V CB 0.691 32.542 31.823 0.047 0.000 0.979 236 V HN 0.412 nan 8.190 nan 0.000 0.477 237 Y N 4.975 125.296 120.300 0.035 0.000 2.397 237 Y HA 0.257 4.806 4.550 -0.000 0.000 0.292 237 Y C 1.047 176.963 175.900 0.026 0.000 1.115 237 Y CA 1.025 59.144 58.100 0.031 0.000 1.208 237 Y CB 0.390 38.873 38.460 0.039 0.000 1.046 237 Y HN 0.598 nan 8.280 nan 0.000 0.552 238 K N -0.455 119.989 120.400 0.073 0.000 2.675 238 K HA 0.421 4.741 4.320 -0.000 0.000 0.280 238 K C -2.409 174.226 176.600 0.059 0.000 0.993 238 K CA -0.662 55.626 56.287 0.002 0.000 0.863 238 K CB 1.284 33.794 32.500 0.018 0.000 1.438 238 K HN -0.247 nan 8.250 nan 0.000 0.389 239 V N 4.351 124.281 119.914 0.026 0.000 2.443 239 V HA 0.457 4.577 4.120 -0.000 0.000 0.293 239 V C -0.543 175.566 176.094 0.025 0.000 1.021 239 V CA -0.771 61.549 62.300 0.034 0.000 0.848 239 V CB 1.290 33.124 31.823 0.018 0.000 0.998 239 V HN 0.555 nan 8.190 nan 0.000 0.424 240 L N 4.746 125.992 121.223 0.040 0.000 2.344 240 L HA 0.881 5.221 4.340 -0.000 0.000 0.272 240 L C 0.569 177.451 176.870 0.019 0.000 1.035 240 L CA -0.269 54.587 54.840 0.026 0.000 0.807 240 L CB 2.077 44.162 42.059 0.044 0.000 1.237 240 L HN 0.797 nan 8.230 nan 0.000 0.442 241 T N -4.475 110.066 114.554 -0.021 0.000 2.669 241 T HA 0.229 4.579 4.350 -0.000 0.000 0.283 241 T C 1.028 175.694 174.700 -0.057 0.000 1.019 241 T CA -0.425 61.649 62.100 -0.043 0.000 1.039 241 T CB 0.854 69.637 68.868 -0.142 0.000 1.374 241 T HN 0.761 nan 8.240 nan 0.000 0.523 242 H N 0.492 119.575 119.070 0.021 0.000 2.457 242 H HA 0.027 4.582 4.556 -0.000 0.000 0.297 242 H C 1.291 176.628 175.328 0.016 0.000 1.092 242 H CA 1.278 57.336 56.048 0.016 0.000 1.309 242 H CB -0.259 29.509 29.762 0.009 0.000 1.382 242 H HN 0.582 nan 8.280 nan 0.000 0.535 243 K N 0.524 120.694 120.400 -0.383 0.000 2.283 243 K HA -0.075 4.245 4.320 -0.000 0.000 0.202 243 K C 1.081 177.648 176.600 -0.054 0.000 1.048 243 K CA 1.143 57.324 56.287 -0.177 0.000 0.948 243 K CB 0.204 32.559 32.500 -0.241 0.000 0.742 243 K HN 0.414 nan 8.250 nan 0.000 0.458 244 D N 0.721 121.095 120.400 -0.042 0.000 2.340 244 D HA -0.008 4.632 4.640 -0.000 0.000 0.220 244 D C 0.002 176.314 176.300 0.021 0.000 1.039 244 D CA 0.336 54.333 54.000 -0.004 0.000 0.866 244 D CB 0.379 41.180 40.800 0.001 0.000 0.913 244 D HN -0.090 nan 8.370 nan 0.000 0.523 245 V N 1.468 121.403 119.914 0.035 0.000 2.530 245 V HA 0.054 4.174 4.120 -0.000 0.000 0.282 245 V C 1.392 177.507 176.094 0.035 0.000 1.048 245 V CA -0.104 62.222 62.300 0.043 0.000 0.997 245 V CB 1.833 33.692 31.823 0.059 0.000 0.987 245 V HN -0.119 nan 8.190 nan 0.000 0.477 246 K N 2.907 123.325 120.400 0.029 0.000 2.211 246 K HA 0.177 4.497 4.320 -0.000 0.000 0.201 246 K C 1.330 177.940 176.600 0.018 0.000 1.052 246 K CA 0.739 57.039 56.287 0.022 0.000 0.973 246 K CB 0.141 32.654 32.500 0.021 0.000 0.766 246 K HN 0.845 nan 8.250 nan 0.000 0.466 247 G N 0.793 109.606 108.800 0.021 0.000 2.531 247 G HA2 0.011 3.971 3.960 -0.000 0.000 0.253 247 G HA3 0.011 3.971 3.960 -0.000 0.000 0.253 247 G C 0.223 175.124 174.900 0.000 0.000 1.439 247 G CA -0.366 44.743 45.100 0.015 0.000 1.056 247 G HN -0.009 nan 8.290 nan 0.000 0.555 248 K N -0.152 120.239 120.400 -0.016 0.000 2.442 248 K HA -0.069 4.251 4.320 -0.000 0.000 0.198 248 K C 0.923 177.517 176.600 -0.009 0.000 1.042 248 K CA 0.792 57.043 56.287 -0.060 0.000 0.958 248 K CB -0.042 32.348 32.500 -0.184 0.000 0.766 248 K HN 0.466 nan 8.250 nan 0.000 0.474 249 N N 0.837 119.556 118.700 0.031 0.000 2.747 249 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 249 N C -1.416 174.124 175.510 0.050 0.000 1.107 249 N CA 0.664 53.739 53.050 0.042 0.000 0.707 249 N CB -0.416 38.099 38.487 0.047 0.000 1.054 249 N HN 0.068 nan 8.380 nan 0.000 0.555 250 R N -0.004 120.555 120.500 0.098 0.000 2.808 250 R HA 0.582 4.922 4.340 -0.000 0.000 0.272 250 R C -0.205 176.186 176.300 0.151 0.000 0.995 250 R CA -0.679 55.517 56.100 0.160 0.000 0.917 250 R CB 1.103 31.612 30.300 0.349 0.000 1.217 250 R HN 0.211 nan 8.270 nan 0.000 0.471 251 I N 0.857 121.425 120.570 -0.004 0.000 2.389 251 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 251 I C 0.550 176.464 176.117 -0.339 0.000 0.999 251 I CA -0.625 60.578 61.300 -0.161 0.000 1.129 251 I CB 2.160 40.012 38.000 -0.247 0.000 1.288 251 I HN 0.380 nan 8.210 nan 0.000 0.444 252 T N 3.571 117.775 114.554 -0.584 0.000 2.889 252 T HA 0.270 4.620 4.350 -0.000 0.000 0.291 252 T C 1.233 175.557 174.700 -0.626 0.000 0.995 252 T CA -0.163 61.352 62.100 -0.976 0.000 1.092 252 T CB 1.309 69.287 68.868 -1.483 0.000 0.954 252 T HN 0.806 nan 8.240 nan 0.000 0.506 253 G N 3.095 111.531 108.800 -0.607 0.000 2.848 253 G HA2 0.117 4.077 3.960 -0.000 0.000 0.208 253 G HA3 0.117 4.077 3.960 -0.000 0.000 0.208 253 G C 1.252 175.911 174.900 -0.402 0.000 1.152 253 G CA 0.435 45.217 45.100 -0.529 0.000 0.789 253 G HN 0.885 nan 8.290 nan 0.000 0.531 254 L N -0.975 120.032 121.223 -0.360 0.000 3.437 254 L HA -0.299 4.041 4.340 -0.000 0.000 0.069 254 L C 1.973 178.793 176.870 -0.083 0.000 4.438 254 L CA 2.393 57.117 54.840 -0.194 0.000 0.479 254 L CB -0.935 41.069 42.059 -0.091 0.000 3.549 254 L HN 0.479 nan 8.230 nan 0.000 0.729 255 I N -1.783 118.783 120.570 -0.006 0.000 3.864 255 I HA 0.165 4.334 4.170 -0.000 0.000 0.326 255 I C 0.449 176.645 176.117 0.131 0.000 1.444 255 I CA -0.279 61.085 61.300 0.106 0.000 1.195 255 I CB 0.229 38.362 38.000 0.221 0.000 1.124 255 I HN 0.101 nan 8.210 nan 0.000 0.407 256 T N 2.788 117.340 114.554 -0.004 0.000 2.822 256 T HA 0.079 4.429 4.350 -0.000 0.000 0.288 256 T C 0.200 175.006 174.700 0.176 0.000 0.991 256 T CA 0.312 62.396 62.100 -0.027 0.000 1.176 256 T CB -0.214 68.595 68.868 -0.099 0.000 0.951 256 T HN 0.206 nan 8.240 nan 0.000 0.526 257 F N 5.189 125.107 119.950 -0.054 0.000 2.602 257 F HA 0.025 4.552 4.527 -0.000 0.000 0.367 257 F C -0.414 175.404 175.800 0.030 0.000 1.126 257 F CA -2.107 55.882 58.000 -0.017 0.000 1.321 257 F CB 0.520 39.478 39.000 -0.070 0.000 1.094 257 F HN 0.498 nan 8.300 nan 0.000 0.594 258 P HA -0.177 nan 4.420 nan 0.000 0.216 258 P C 1.030 178.432 177.300 0.171 0.000 1.150 258 P CA 1.763 64.951 63.100 0.147 0.000 0.837 258 P CB -0.353 31.397 31.700 0.084 0.000 0.786 259 T N -4.112 110.584 114.554 0.237 0.000 3.272 259 T HA 0.066 4.416 4.350 -0.000 0.000 0.250 259 T C 0.726 175.621 174.700 0.324 0.000 1.082 259 T CA -0.571 61.674 62.100 0.241 0.000 0.968 259 T CB -0.996 68.004 68.868 0.220 0.000 1.015 259 T HN -0.056 nan 8.240 nan 0.000 0.563 260 N N 1.304 120.193 118.700 0.316 0.000 2.520 260 N HA 0.164 4.904 4.740 -0.000 0.000 0.273 260 N C 0.757 176.404 175.510 0.228 0.000 1.155 260 N CA -0.175 53.069 53.050 0.322 0.000 0.967 260 N CB 1.475 40.075 38.487 0.188 0.000 1.092 260 N HN 0.041 nan 8.380 nan 0.000 0.457 261 K N 1.657 122.206 120.400 0.248 0.000 2.097 261 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 261 K C 1.137 177.801 176.600 0.107 0.000 1.049 261 K CA 0.955 57.341 56.287 0.164 0.000 0.933 261 K CB -0.531 32.071 32.500 0.170 0.000 0.717 261 K HN 0.660 nan 8.250 nan 0.000 0.442 262 G N 0.365 109.209 108.800 0.073 0.000 2.509 262 G HA2 0.102 4.062 3.960 -0.000 0.000 0.269 262 G HA3 0.102 4.062 3.960 -0.000 0.000 0.269 262 G C -0.093 174.804 174.900 -0.004 0.000 1.416 262 G CA 0.156 45.241 45.100 -0.024 0.000 1.052 262 G HN 0.303 nan 8.290 nan 0.000 0.542 263 D N -3.635 116.751 120.400 -0.023 0.000 2.520 263 D HA 0.220 4.860 4.640 -0.000 0.000 0.223 263 D C 1.379 177.646 176.300 -0.056 0.000 1.186 263 D CA 0.726 54.746 54.000 0.035 0.000 0.821 263 D CB -0.050 40.845 40.800 0.158 0.000 1.072 263 D HN 1.266 nan 8.370 nan 0.000 0.518 264 G N 0.206 108.904 108.800 -0.170 0.000 2.143 264 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.248 264 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.248 264 G C 0.103 174.780 174.900 -0.372 0.000 0.991 264 G CA 0.178 45.089 45.100 -0.315 0.000 0.689 264 G HN 0.359 nan 8.290 nan 0.000 0.522 265 W N 0.093 121.279 121.300 -0.191 0.000 2.818 265 W HA 0.453 5.113 4.660 -0.000 0.000 0.403 265 W C 1.526 177.930 176.519 -0.191 0.000 0.991 265 W CA 0.253 57.499 57.345 -0.165 0.000 1.925 265 W CB 0.633 30.026 29.460 -0.112 0.000 1.166 265 W HN 0.359 nan 8.180 nan 0.000 0.605 266 E N 0.023 120.163 120.200 -0.100 0.000 2.230 266 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 266 E C 1.127 177.645 176.600 -0.136 0.000 0.987 266 E CA 0.324 56.592 56.400 -0.219 0.000 0.841 266 E CB -0.164 29.083 29.700 -0.756 0.000 0.783 266 E HN -0.051 nan 8.360 nan 0.000 0.481 267 R N 2.330 122.704 120.500 -0.210 0.000 2.404 267 R HA 0.107 4.447 4.340 -0.000 0.000 0.315 267 R C -2.324 173.846 176.300 -0.218 0.000 1.032 267 R CA -1.473 54.378 56.100 -0.415 0.000 0.992 267 R CB 0.180 30.061 30.300 -0.698 0.000 0.959 267 R HN 0.080 nan 8.270 nan 0.000 0.428 268 P HA 0.165 nan 4.420 nan 0.000 0.279 268 P C 0.518 177.771 177.300 -0.078 0.000 1.252 268 P CA -0.370 62.722 63.100 -0.013 0.000 0.811 268 P CB 0.898 32.656 31.700 0.096 0.000 1.035 269 I N -0.074 120.482 120.570 -0.024 0.000 2.277 269 I HA -0.015 4.155 4.170 -0.000 0.000 0.243 269 I C 0.715 176.845 176.117 0.022 0.000 1.094 269 I CA 1.264 62.550 61.300 -0.024 0.000 1.393 269 I CB 0.025 38.026 38.000 0.003 0.000 1.078 269 I HN 0.149 nan 8.210 nan 0.000 0.417 270 L N 1.401 122.654 121.223 0.050 0.000 2.372 270 L HA 0.311 4.651 4.340 -0.000 0.000 0.274 270 L C -0.470 176.440 176.870 0.066 0.000 0.988 270 L CA -0.478 54.404 54.840 0.071 0.000 0.833 270 L CB 1.398 43.515 42.059 0.097 0.000 1.236 270 L HN 0.147 nan 8.230 nan 0.000 0.410 271 N N 2.127 120.847 118.700 0.033 0.000 2.353 271 N HA -0.067 4.672 4.740 -0.000 0.000 0.248 271 N C -0.428 175.044 175.510 -0.064 0.000 1.240 271 N CA 0.424 53.470 53.050 -0.007 0.000 0.862 271 N CB 1.389 39.834 38.487 -0.071 0.000 1.086 271 N HN 0.665 nan 8.380 nan 0.000 0.453 272 D N -1.015 119.282 120.400 -0.172 0.000 2.531 272 D HA -0.059 4.581 4.640 -0.000 0.000 0.263 272 D C 1.188 177.279 176.300 -0.349 0.000 1.057 272 D CA 0.233 53.937 54.000 -0.492 0.000 0.909 272 D CB -0.178 40.228 40.800 -0.656 0.000 1.236 272 D HN 0.439 nan 8.370 nan 0.000 0.494 273 S N -1.768 113.812 115.700 -0.199 0.000 2.589 273 S HA 0.349 4.818 4.470 -0.000 0.000 0.235 273 S C 0.559 175.060 174.600 -0.166 0.000 1.051 273 S CA -0.416 57.698 58.200 -0.143 0.000 0.978 273 S CB 0.767 63.920 63.200 -0.079 0.000 0.929 273 S HN 0.031 nan 8.310 nan 0.000 0.523 274 K N 0.377 120.613 120.400 -0.274 0.000 2.536 274 K HA 0.555 4.875 4.320 -0.000 0.000 0.269 274 K C -1.786 174.377 176.600 -0.727 0.000 0.965 274 K CA -0.595 55.407 56.287 -0.475 0.000 0.860 274 K CB 2.289 34.447 32.500 -0.570 0.000 1.423 274 K HN 0.088 nan 8.250 nan 0.000 0.438 275 I N 2.693 122.916 120.570 -0.579 0.000 2.330 275 I HA 0.210 4.379 4.170 -0.000 0.000 0.289 275 I C 0.083 175.940 176.117 -0.433 0.000 1.001 275 I CA -0.302 60.738 61.300 -0.434 0.000 1.193 275 I CB 0.664 38.530 38.000 -0.224 0.000 1.345 275 I HN 0.622 nan 8.210 nan 0.000 0.461 276 F N 3.771 123.734 119.950 0.021 0.000 2.582 276 F HA 0.109 4.636 4.527 -0.000 0.000 0.290 276 F C 0.949 176.690 175.800 -0.099 0.000 1.115 276 F CA -0.279 57.657 58.000 -0.106 0.000 1.445 276 F CB 0.358 39.246 39.000 -0.188 0.000 1.126 276 F HN 0.445 nan 8.300 nan 0.000 0.574 277 Q N -1.470 118.415 119.800 0.141 0.000 2.472 277 Q HA 0.222 4.562 4.340 -0.000 0.000 0.281 277 Q C -1.293 174.827 176.000 0.199 0.000 0.997 277 Q CA -1.164 54.742 55.803 0.171 0.000 0.828 277 Q CB 1.039 29.915 28.738 0.230 0.000 1.443 277 Q HN 0.116 nan 8.270 nan 0.000 0.390 278 Y N 1.385 121.731 120.300 0.078 0.000 2.810 278 Y HA 0.271 4.821 4.550 -0.000 0.000 0.332 278 Y C 1.290 177.260 175.900 0.116 0.000 1.243 278 Y CA 2.578 60.718 58.100 0.066 0.000 1.537 278 Y CB 0.370 38.858 38.460 0.047 0.000 1.265 278 Y HN 1.011 nan 8.280 nan 0.000 0.572 279 G N 3.544 112.161 108.800 -0.306 0.000 2.278 279 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.210 279 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.210 279 G C -0.188 174.401 174.900 -0.519 0.000 1.000 279 G CA -0.168 44.756 45.100 -0.294 0.000 0.635 279 G HN 0.639 nan 8.290 nan 0.000 0.495 280 D N 1.930 122.192 120.400 -0.231 0.000 2.662 280 D HA 0.421 5.060 4.640 -0.000 0.000 0.233 280 D C 0.858 176.955 176.300 -0.338 0.000 1.129 280 D CA 1.229 55.117 54.000 -0.186 0.000 0.851 280 D CB 0.925 41.715 40.800 -0.016 0.000 1.152 280 D HN 0.838 nan 8.370 nan 0.000 0.507 281 A N 3.941 126.566 122.820 -0.326 0.000 2.350 281 A HA 0.245 4.565 4.320 -0.000 0.000 0.293 281 A C 1.222 178.752 177.584 -0.090 0.000 1.231 281 A CA -0.367 51.552 52.037 -0.198 0.000 0.883 281 A CB 0.029 18.985 19.000 -0.073 0.000 1.133 281 A HN 0.673 nan 8.150 nan 0.000 0.533 282 L N 1.304 122.459 121.223 -0.113 0.000 2.590 282 L HA 0.435 4.775 4.340 -0.000 0.000 0.227 282 L C 0.847 177.752 176.870 0.059 0.000 1.099 282 L CA 0.690 55.472 54.840 -0.098 0.000 0.872 282 L CB -0.307 41.502 42.059 -0.416 0.000 1.088 282 L HN 0.775 nan 8.230 nan 0.000 0.479 283 A N 0.584 123.460 122.820 0.092 0.000 2.594 283 A HA 0.676 4.996 4.320 -0.000 0.000 0.296 283 A C -1.361 176.274 177.584 0.085 0.000 1.056 283 A CA -0.431 51.667 52.037 0.102 0.000 0.693 283 A CB 1.131 20.214 19.000 0.139 0.000 1.278 283 A HN 0.044 nan 8.150 nan 0.000 0.408 284 I N 1.757 122.373 120.570 0.077 0.000 2.389 284 I HA 0.456 4.626 4.170 -0.000 0.000 0.288 284 I C -0.557 175.608 176.117 0.080 0.000 0.999 284 I CA -1.023 60.326 61.300 0.082 0.000 1.129 284 I CB 1.822 39.874 38.000 0.088 0.000 1.288 284 I HN 0.344 nan 8.210 nan 0.000 0.444 285 V N 5.261 125.224 119.914 0.083 0.000 2.481 285 V HA 0.285 4.405 4.120 -0.000 0.000 0.286 285 V C -0.209 175.952 176.094 0.111 0.000 1.042 285 V CA -0.428 61.923 62.300 0.084 0.000 0.928 285 V CB 1.515 33.379 31.823 0.068 0.000 0.986 285 V HN 0.804 nan 8.190 nan 0.000 0.462 286 C N 4.947 124.325 119.300 0.130 0.000 2.281 286 C HA 0.899 5.359 4.460 -0.000 0.000 0.323 286 C C 0.655 175.751 174.990 0.178 0.000 1.270 286 C CA -0.526 58.589 59.018 0.162 0.000 1.559 286 C CB -0.095 27.767 27.740 0.204 0.000 2.239 286 C HN 1.049 nan 8.230 nan 0.000 0.488 287 A N 2.826 125.747 122.820 0.169 0.000 2.443 287 A HA 0.731 5.051 4.320 -0.000 0.000 0.278 287 A C 0.817 178.500 177.584 0.165 0.000 1.252 287 A CA -0.277 51.853 52.037 0.155 0.000 0.816 287 A CB 0.755 19.824 19.000 0.114 0.000 1.369 287 A HN 0.758 nan 8.150 nan 0.000 0.446 288 D N -0.420 120.053 120.400 0.121 0.000 2.347 288 D HA 0.036 4.676 4.640 -0.000 0.000 0.215 288 D C 0.533 176.862 176.300 0.050 0.000 0.976 288 D CA 1.306 55.367 54.000 0.102 0.000 0.884 288 D CB 0.015 40.852 40.800 0.061 0.000 0.915 288 D HN 0.687 nan 8.370 nan 0.000 0.526 289 S N -1.801 113.894 115.700 -0.008 0.000 2.588 289 S HA 0.210 4.680 4.470 -0.000 0.000 0.269 289 S C 0.515 175.054 174.600 -0.102 0.000 1.157 289 S CA -0.766 57.286 58.200 -0.247 0.000 0.824 289 S CB 2.189 65.279 63.200 -0.184 0.000 1.126 289 S HN -0.066 nan 8.310 nan 0.000 0.464 290 E N 0.746 120.843 120.200 -0.170 0.000 2.047 290 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 290 E C 2.136 178.758 176.600 0.035 0.000 0.987 290 E CA 1.341 57.764 56.400 0.039 0.000 0.799 290 E CB -0.496 29.251 29.700 0.078 0.000 0.752 290 E HN 0.775 nan 8.360 nan 0.000 0.449 291 A N 1.569 124.387 122.820 -0.004 0.000 1.917 291 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 291 A C 1.940 179.532 177.584 0.014 0.000 1.182 291 A CA 1.787 53.829 52.037 0.008 0.000 0.633 291 A CB -0.664 18.332 19.000 -0.007 0.000 0.819 291 A HN 0.293 nan 8.150 nan 0.000 0.448 292 N N 0.131 118.836 118.700 0.009 0.000 2.188 292 N HA -0.062 4.678 4.740 -0.000 0.000 0.184 292 N C 1.892 177.426 175.510 0.040 0.000 1.018 292 N CA 1.423 54.486 53.050 0.021 0.000 0.858 292 N CB -0.470 38.030 38.487 0.021 0.000 0.989 292 N HN 0.492 nan 8.380 nan 0.000 0.426 293 A N 1.671 124.527 122.820 0.060 0.000 1.897 293 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 293 A C 2.263 179.883 177.584 0.060 0.000 1.181 293 A CA 0.840 52.923 52.037 0.077 0.000 0.620 293 A CB -0.319 18.753 19.000 0.120 0.000 0.821 293 A HN 0.187 nan 8.150 nan 0.000 0.443 294 R N -0.421 120.114 120.500 0.058 0.000 2.081 294 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 294 R C 2.421 178.736 176.300 0.024 0.000 1.131 294 R CA 1.272 57.398 56.100 0.044 0.000 0.960 294 R CB -0.480 29.849 30.300 0.048 0.000 0.856 294 R HN 0.499 nan 8.270 nan 0.000 0.436 295 A N 0.937 123.770 122.820 0.022 0.000 2.019 295 A HA -0.056 4.263 4.320 -0.000 0.000 0.219 295 A C 2.215 179.800 177.584 0.002 0.000 1.164 295 A CA 1.629 53.672 52.037 0.010 0.000 0.644 295 A CB -0.344 18.661 19.000 0.010 0.000 0.805 295 A HN 0.406 nan 8.150 nan 0.000 0.449 296 A N -0.761 122.065 122.820 0.009 0.000 2.081 296 A HA 0.457 4.777 4.320 -0.000 0.000 0.214 296 A C 2.301 179.879 177.584 -0.010 0.000 1.158 296 A CA 1.226 53.263 52.037 0.001 0.000 0.724 296 A CB -0.577 18.432 19.000 0.015 0.000 0.826 296 A HN 0.846 nan 8.150 nan 0.000 0.463 297 A N 0.341 123.159 122.820 -0.002 0.000 1.930 297 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 297 A C 1.805 179.358 177.584 -0.051 0.000 1.175 297 A CA 1.510 53.540 52.037 -0.011 0.000 0.627 297 A CB -0.422 18.584 19.000 0.010 0.000 0.815 297 A HN 0.586 nan 8.150 nan 0.000 0.443 298 E N -0.540 119.632 120.200 -0.048 0.000 2.204 298 E HA -0.149 4.200 4.350 -0.000 0.000 0.194 298 E C 1.277 177.813 176.600 -0.107 0.000 0.989 298 E CA 0.974 57.331 56.400 -0.072 0.000 0.824 298 E CB -0.030 29.644 29.700 -0.043 0.000 0.756 298 E HN 0.278 nan 8.360 nan 0.000 0.477 299 K N 0.319 120.665 120.400 -0.089 0.000 2.551 299 K HA 0.051 4.370 4.320 -0.000 0.000 0.192 299 K C -0.572 175.947 176.600 -0.135 0.000 1.027 299 K CA 0.102 56.331 56.287 -0.096 0.000 1.059 299 K CB 0.412 32.876 32.500 -0.059 0.000 0.831 299 K HN -0.106 nan 8.250 nan 0.000 0.508 300 V N 1.939 121.736 119.914 -0.195 0.000 2.406 300 V HA 0.189 4.308 4.120 -0.000 0.000 0.272 300 V C 0.120 175.913 176.094 -0.502 0.000 1.043 300 V CA -0.743 61.401 62.300 -0.259 0.000 0.915 300 V CB 1.189 32.892 31.823 -0.199 0.000 0.988 300 V HN 0.067 nan 8.190 nan 0.000 0.466 301 K N 5.122 125.295 120.400 -0.377 0.000 2.185 301 K HA 0.616 4.936 4.320 -0.000 0.000 0.269 301 K C -1.056 175.364 176.600 -0.300 0.000 0.987 301 K CA -0.173 55.881 56.287 -0.388 0.000 0.865 301 K CB 1.504 33.901 32.500 -0.172 0.000 1.090 301 K HN 0.486 nan 8.250 nan 0.000 0.450 302 F N 0.790 120.727 119.950 -0.021 0.000 2.450 302 F HA 0.175 4.702 4.527 -0.000 0.000 0.332 302 F C 0.388 176.176 175.800 -0.020 0.000 1.093 302 F CA -1.046 56.941 58.000 -0.021 0.000 1.003 302 F CB 1.476 40.458 39.000 -0.030 0.000 1.151 302 F HN 0.426 nan 8.300 nan 0.000 0.474 303 D N 4.090 124.601 120.400 0.186 0.000 2.454 303 D HA 0.474 5.114 4.640 -0.000 0.000 0.225 303 D C -0.982 175.358 176.300 0.066 0.000 1.081 303 D CA -0.032 54.022 54.000 0.090 0.000 0.864 303 D CB 0.553 41.388 40.800 0.059 0.000 1.040 303 D HN 0.368 nan 8.370 nan 0.000 0.517 304 L N 1.773 123.027 121.223 0.051 0.000 2.303 304 L HA 0.603 4.943 4.340 -0.000 0.000 0.266 304 L C 0.243 177.106 176.870 -0.012 0.000 1.011 304 L CA -1.030 53.814 54.840 0.008 0.000 0.818 304 L CB 1.935 43.999 42.059 0.008 0.000 1.326 304 L HN 0.220 nan 8.230 nan 0.000 0.435 305 E N 1.860 122.036 120.200 -0.039 0.000 2.402 305 E HA 0.340 4.690 4.350 -0.000 0.000 0.244 305 E C -1.229 175.325 176.600 -0.077 0.000 0.945 305 E CA -0.500 55.872 56.400 -0.048 0.000 0.774 305 E CB 1.212 30.883 29.700 -0.048 0.000 1.296 305 E HN 0.460 nan 8.360 nan 0.000 0.414 306 L N 5.018 126.201 121.223 -0.066 0.000 2.559 306 L HA 0.081 4.421 4.340 -0.000 0.000 0.274 306 L C 0.254 177.043 176.870 -0.134 0.000 1.205 306 L CA 0.548 55.336 54.840 -0.087 0.000 0.907 306 L CB -0.163 41.863 42.059 -0.054 0.000 1.153 306 L HN 0.402 nan 8.230 nan 0.000 0.490 307 L N 4.475 125.562 121.223 -0.226 0.000 2.358 307 L HA 0.527 4.867 4.340 -0.000 0.000 0.268 307 L C -2.032 174.680 176.870 -0.263 0.000 1.032 307 L CA -2.112 52.534 54.840 -0.322 0.000 0.805 307 L CB 1.351 42.988 42.059 -0.704 0.000 1.253 307 L HN 0.353 nan 8.230 nan 0.000 0.452 308 P HA 0.049 nan 4.420 nan 0.000 0.268 308 P C -1.256 175.809 177.300 -0.391 0.000 1.208 308 P CA -0.011 62.918 63.100 -0.285 0.000 0.777 308 P CB 0.402 31.927 31.700 -0.293 0.000 0.875 309 E N 1.375 121.343 120.200 -0.387 0.000 2.129 309 E HA 0.228 4.577 4.350 -0.000 0.000 0.268 309 E C -0.962 175.413 176.600 -0.375 0.000 0.900 309 E CA -0.474 55.756 56.400 -0.284 0.000 0.755 309 E CB 0.650 30.295 29.700 -0.090 0.000 1.117 309 E HN 0.388 nan 8.360 nan 0.000 0.410 310 Y N 2.864 123.231 120.300 0.112 0.000 2.594 310 Y HA 0.160 4.709 4.550 -0.000 0.000 0.342 310 Y C 0.769 176.735 175.900 0.111 0.000 1.010 310 Y CA -0.745 57.411 58.100 0.093 0.000 1.270 310 Y CB 0.541 39.048 38.460 0.079 0.000 1.125 310 Y HN 0.473 nan 8.280 nan 0.000 0.513 311 M N 1.488 121.216 119.600 0.213 0.000 2.530 311 M HA 0.168 4.647 4.480 -0.000 0.000 0.231 311 M C -0.052 176.443 176.300 0.327 0.000 1.180 311 M CA 0.104 55.561 55.300 0.261 0.000 0.985 311 M CB -1.181 31.544 32.600 0.208 0.000 1.623 311 M HN 0.558 nan 8.290 nan 0.000 0.475 312 S N -2.178 113.691 115.700 0.281 0.000 2.552 312 S HA 0.717 5.187 4.470 -0.000 0.000 0.272 312 S C 0.602 175.315 174.600 0.188 0.000 1.150 312 S CA -0.337 58.035 58.200 0.287 0.000 0.849 312 S CB 1.334 64.708 63.200 0.289 0.000 1.113 312 S HN 0.132 nan 8.310 nan 0.000 0.458 313 A N 1.491 124.413 122.820 0.171 0.000 1.884 313 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 313 A C -0.619 176.872 177.584 -0.155 0.000 1.197 313 A CA 2.349 54.381 52.037 -0.010 0.000 0.637 313 A CB -2.302 16.644 19.000 -0.089 0.000 0.827 313 A HN 0.704 nan 8.150 nan 0.000 0.450 314 P HA -0.166 nan 4.420 nan 0.000 0.215 314 P C 1.225 178.463 177.300 -0.104 0.000 1.157 314 P CA 1.609 64.553 63.100 -0.260 0.000 0.868 314 P CB -0.113 31.395 31.700 -0.320 0.000 0.788 315 E N -0.530 119.664 120.200 -0.009 0.000 2.085 315 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 315 E C 1.977 178.599 176.600 0.036 0.000 0.994 315 E CA 1.330 57.786 56.400 0.094 0.000 0.801 315 E CB -0.561 29.270 29.700 0.218 0.000 0.743 315 E HN 0.168 nan 8.360 nan 0.000 0.453 316 A N 0.314 123.122 122.820 -0.020 0.000 2.168 316 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 316 A C 1.916 179.377 177.584 -0.205 0.000 1.152 316 A CA 0.717 52.627 52.037 -0.213 0.000 0.716 316 A CB -0.190 18.776 19.000 -0.058 0.000 0.794 316 A HN 0.142 nan 8.150 nan 0.000 0.465 317 M N -0.542 118.975 119.600 -0.137 0.000 2.510 317 M HA 0.188 4.668 4.480 -0.000 0.000 0.256 317 M C 1.162 177.395 176.300 -0.112 0.000 1.132 317 M CA 0.133 55.357 55.300 -0.127 0.000 1.105 317 M CB -0.145 32.375 32.600 -0.133 0.000 1.375 317 M HN 0.377 nan 8.290 nan 0.000 0.477 318 A N 2.432 125.193 122.820 -0.098 0.000 2.587 318 A HA 0.021 4.341 4.320 -0.000 0.000 0.233 318 A C -1.206 176.338 177.584 -0.068 0.000 1.049 318 A CA -0.811 51.188 52.037 -0.062 0.000 0.754 318 A CB -0.545 18.445 19.000 -0.017 0.000 0.977 318 A HN 0.224 nan 8.150 nan 0.000 0.509 319 P HA -0.183 nan 4.420 nan 0.000 0.221 319 P C 0.478 177.763 177.300 -0.026 0.000 1.145 319 P CA 1.656 64.734 63.100 -0.036 0.000 0.795 319 P CB 0.023 31.708 31.700 -0.025 0.000 0.775 320 D N -0.671 119.722 120.400 -0.012 0.000 2.350 320 D HA 0.090 4.730 4.640 -0.000 0.000 0.213 320 D C 0.681 176.991 176.300 0.018 0.000 1.031 320 D CA -0.181 53.827 54.000 0.013 0.000 0.861 320 D CB -0.231 40.592 40.800 0.038 0.000 0.926 320 D HN 0.019 nan 8.370 nan 0.000 0.520 321 A N 1.969 124.752 122.820 -0.062 0.000 2.546 321 A HA 0.344 4.664 4.320 -0.000 0.000 0.243 321 A C 0.833 178.335 177.584 -0.138 0.000 1.063 321 A CA -0.463 51.435 52.037 -0.233 0.000 0.757 321 A CB -0.231 18.411 19.000 -0.596 0.000 0.991 321 A HN 0.454 nan 8.150 nan 0.000 0.503 322 I N -0.285 120.292 120.570 0.010 0.000 2.662 322 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 322 I C 0.143 176.296 176.117 0.060 0.000 1.046 322 I CA -0.609 60.745 61.300 0.089 0.000 1.361 322 I CB 0.702 38.815 38.000 0.188 0.000 1.429 322 I HN 0.652 nan 8.210 nan 0.000 0.558 323 E N 3.979 124.222 120.200 0.072 0.000 2.351 323 E HA 0.109 4.458 4.350 -0.000 0.000 0.266 323 E C 0.689 177.371 176.600 0.137 0.000 1.031 323 E CA -0.018 56.428 56.400 0.077 0.000 0.911 323 E CB 1.327 31.076 29.700 0.082 0.000 0.986 323 E HN 0.601 nan 8.360 nan 0.000 0.446 324 I N 2.244 122.871 120.570 0.094 0.000 2.226 324 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 324 I C 0.830 176.901 176.117 -0.077 0.000 1.100 324 I CA 0.970 62.291 61.300 0.036 0.000 1.374 324 I CB -0.033 37.877 38.000 -0.150 0.000 1.057 324 I HN 0.476 nan 8.210 nan 0.000 0.413 325 H N 1.809 120.941 119.070 0.104 0.000 2.691 325 H HA 0.283 4.839 4.556 -0.000 0.000 0.281 325 H C -2.248 173.127 175.328 0.079 0.000 1.121 325 H CA -2.582 53.502 56.048 0.060 0.000 1.254 325 H CB 0.286 29.996 29.762 -0.087 0.000 1.390 325 H HN -0.036 nan 8.280 nan 0.000 0.491 326 P HA -0.051 nan 4.420 nan 0.000 0.259 326 P C 1.122 178.489 177.300 0.112 0.000 1.163 326 P CA 1.109 64.289 63.100 0.133 0.000 0.760 326 P CB 0.408 32.182 31.700 0.124 0.000 0.762 327 G N 1.712 110.564 108.800 0.086 0.000 2.157 327 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.239 327 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.239 327 G C -0.072 174.869 174.900 0.069 0.000 0.982 327 G CA 0.105 45.246 45.100 0.068 0.000 0.650 327 G HN 0.695 nan 8.290 nan 0.000 0.527 328 T N 1.450 116.055 114.554 0.085 0.000 3.071 328 T HA 0.566 4.916 4.350 -0.000 0.000 0.311 328 T C -2.998 171.763 174.700 0.101 0.000 1.042 328 T CA -0.903 61.249 62.100 0.087 0.000 1.028 328 T CB 3.274 72.185 68.868 0.071 0.000 1.068 328 T HN 0.042 nan 8.240 nan 0.000 0.451 329 P HA 0.231 nan 4.420 nan 0.000 0.271 329 P C 0.611 177.987 177.300 0.126 0.000 1.218 329 P CA -0.425 62.724 63.100 0.082 0.000 0.780 329 P CB 0.599 32.337 31.700 0.063 0.000 0.901 330 N N 0.205 118.953 118.700 0.081 0.000 2.364 330 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 330 N C 0.146 175.747 175.510 0.151 0.000 1.022 330 N CA 0.855 53.975 53.050 0.116 0.000 0.883 330 N CB -0.336 38.157 38.487 0.010 0.000 0.965 330 N HN 0.188 nan 8.380 nan 0.000 0.438 331 V N 3.023 122.977 119.914 0.066 0.000 2.270 331 V HA 0.081 4.201 4.120 -0.000 0.000 0.263 331 V C 0.255 176.365 176.094 0.026 0.000 1.066 331 V CA -0.586 61.697 62.300 -0.029 0.000 0.857 331 V CB -0.495 31.279 31.823 -0.080 0.000 1.099 331 V HN 0.267 nan 8.190 nan 0.000 0.476 332 Y N 2.382 122.706 120.300 0.040 0.000 2.466 332 Y HA 0.465 5.015 4.550 -0.000 0.000 0.272 332 Y C 0.118 176.106 175.900 0.147 0.000 1.169 332 Y CA -0.795 57.345 58.100 0.067 0.000 1.285 332 Y CB -0.185 38.306 38.460 0.053 0.000 1.078 332 Y HN 0.431 nan 8.280 nan 0.000 0.523 333 Y N 0.901 121.012 120.300 -0.316 0.000 2.482 333 Y HA 0.420 4.970 4.550 -0.000 0.000 0.334 333 Y C -1.718 174.063 175.900 -0.198 0.000 1.091 333 Y CA -1.375 56.604 58.100 -0.202 0.000 1.027 333 Y CB 1.458 39.767 38.460 -0.253 0.000 1.306 333 Y HN 0.001 nan 8.280 nan 0.000 0.446 334 D N 4.569 124.459 120.400 -0.851 0.000 2.375 334 D HA 0.195 4.835 4.640 -0.000 0.000 0.247 334 D C -1.404 174.342 176.300 -0.923 0.000 1.061 334 D CA -0.410 53.166 54.000 -0.708 0.000 0.834 334 D CB 2.267 42.833 40.800 -0.390 0.000 1.247 334 D HN 0.434 nan 8.370 nan 0.000 0.489 335 Q N 2.209 121.637 119.800 -0.620 0.000 2.330 335 Q HA 0.485 4.825 4.340 -0.000 0.000 0.269 335 Q C -1.613 174.276 176.000 -0.184 0.000 1.022 335 Q CA -0.482 55.129 55.803 -0.320 0.000 0.796 335 Q CB 1.466 30.188 28.738 -0.026 0.000 1.271 335 Q HN 0.440 nan 8.270 nan 0.000 0.450 336 L N 2.487 123.680 121.223 -0.050 0.000 2.344 336 L HA 0.659 4.999 4.340 -0.000 0.000 0.272 336 L C -0.583 176.361 176.870 0.122 0.000 1.035 336 L CA -0.772 54.072 54.840 0.006 0.000 0.807 336 L CB 1.795 43.849 42.059 -0.008 0.000 1.237 336 L HN 0.714 nan 8.230 nan 0.000 0.442 337 E N 2.140 122.427 120.200 0.144 0.000 2.343 337 E HA 0.304 4.653 4.350 -0.000 0.000 0.260 337 E C -1.707 174.963 176.600 0.117 0.000 0.908 337 E CA -0.355 56.149 56.400 0.173 0.000 0.814 337 E CB 1.193 31.064 29.700 0.285 0.000 1.302 337 E HN 0.454 nan 8.360 nan 0.000 0.408 338 E N 4.003 124.253 120.200 0.084 0.000 2.244 338 E HA 0.390 4.740 4.350 -0.000 0.000 0.260 338 E C -1.098 175.535 176.600 0.055 0.000 0.884 338 E CA -0.799 55.641 56.400 0.067 0.000 0.777 338 E CB 2.241 31.972 29.700 0.052 0.000 1.197 338 E HN 0.264 nan 8.360 nan 0.000 0.416 339 K N 2.218 122.650 120.400 0.054 0.000 2.468 339 K HA 0.574 4.894 4.320 -0.000 0.000 0.252 339 K C 0.165 176.787 176.600 0.037 0.000 0.932 339 K CA 0.097 56.408 56.287 0.040 0.000 0.794 339 K CB 1.762 34.284 32.500 0.037 0.000 1.241 339 K HN 0.663 nan 8.250 nan 0.000 0.428 340 G N 2.664 111.482 108.800 0.030 0.000 2.601 340 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.252 340 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.252 340 G C -0.612 174.320 174.900 0.054 0.000 1.294 340 G CA -0.025 45.093 45.100 0.031 0.000 0.912 340 G HN 0.677 nan 8.290 nan 0.000 0.574 341 E N 0.260 120.506 120.200 0.076 0.000 2.351 341 E HA 0.436 4.786 4.350 -0.000 0.000 0.255 341 E C 0.171 176.860 176.600 0.149 0.000 1.188 341 E CA -0.226 56.245 56.400 0.120 0.000 0.940 341 E CB 0.517 30.322 29.700 0.175 0.000 1.094 341 E HN 0.598 nan 8.360 nan 0.000 0.474 342 D N 0.136 120.634 120.400 0.163 0.000 2.488 342 D HA -0.068 4.571 4.640 -0.000 0.000 0.238 342 D C 0.690 177.168 176.300 0.298 0.000 1.138 342 D CA 0.340 54.447 54.000 0.178 0.000 0.873 342 D CB 0.897 41.780 40.800 0.138 0.000 1.183 342 D HN 0.474 nan 8.370 nan 0.000 0.458 343 T N 0.161 114.896 114.554 0.301 0.000 3.065 343 T HA -0.026 4.324 4.350 -0.000 0.000 0.252 343 T C 1.873 176.930 174.700 0.595 0.000 1.099 343 T CA 0.296 62.673 62.100 0.463 0.000 1.063 343 T CB -0.061 69.061 68.868 0.423 0.000 0.948 343 T HN 0.213 nan 8.240 nan 0.000 0.506 344 V N 2.802 122.941 119.914 0.376 0.000 2.407 344 V HA -0.001 4.119 4.120 -0.000 0.000 0.248 344 V C -0.694 175.548 176.094 0.247 0.000 1.055 344 V CA 1.481 63.970 62.300 0.314 0.000 1.049 344 V CB -0.719 31.205 31.823 0.169 0.000 0.662 344 V HN 0.369 nan 8.190 nan 0.000 0.455 345 P HA -0.082 nan 4.420 nan 0.000 0.222 345 P C 1.144 178.325 177.300 -0.198 0.000 1.147 345 P CA 1.397 64.448 63.100 -0.082 0.000 0.790 345 P CB -0.089 31.478 31.700 -0.222 0.000 0.780 346 F N -2.810 117.133 119.950 -0.012 0.000 2.335 346 F HA 0.062 4.589 4.527 -0.000 0.000 0.296 346 F C 1.797 177.428 175.800 -0.282 0.000 1.091 346 F CA 0.956 58.849 58.000 -0.179 0.000 1.399 346 F CB -0.880 37.933 39.000 -0.312 0.000 1.067 346 F HN -0.153 nan 8.300 nan 0.000 0.520 347 F N -0.176 119.894 119.950 0.200 0.000 2.569 347 F HA 0.014 4.541 4.527 -0.000 0.000 0.295 347 F C 1.697 177.539 175.800 0.070 0.000 1.115 347 F CA 0.420 58.494 58.000 0.124 0.000 1.450 347 F CB -0.366 38.700 39.000 0.110 0.000 1.107 347 F HN -0.114 nan 8.300 nan 0.000 0.563 348 N N -0.632 118.176 118.700 0.180 0.000 2.412 348 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 348 N C 0.004 175.537 175.510 0.039 0.000 1.101 348 N CA 0.466 53.575 53.050 0.098 0.000 0.881 348 N CB -0.201 38.329 38.487 0.072 0.000 0.969 348 N HN 0.133 nan 8.380 nan 0.000 0.459 349 D N 1.214 121.619 120.400 0.008 0.000 2.325 349 D HA 0.125 4.764 4.640 -0.000 0.000 0.251 349 D C -1.667 174.632 176.300 -0.003 0.000 1.196 349 D CA -1.786 52.199 54.000 -0.025 0.000 0.866 349 D CB 1.824 42.578 40.800 -0.077 0.000 1.101 349 D HN -0.004 nan 8.370 nan 0.000 0.476 350 P HA -0.040 nan 4.420 nan 0.000 0.228 350 P C 0.651 177.953 177.300 0.004 0.000 1.151 350 P CA 0.559 63.665 63.100 0.009 0.000 0.770 350 P CB 0.341 32.045 31.700 0.006 0.000 0.786 351 A N -1.674 121.141 122.820 -0.008 0.000 2.123 351 A HA 0.017 4.337 4.320 -0.000 0.000 0.214 351 A C 1.071 178.650 177.584 -0.009 0.000 1.152 351 A CA 0.445 52.476 52.037 -0.010 0.000 0.728 351 A CB -0.513 18.476 19.000 -0.018 0.000 0.814 351 A HN 0.168 nan 8.150 nan 0.000 0.464 352 N N -0.429 118.265 118.700 -0.010 0.000 2.463 352 N HA 0.411 5.151 4.740 -0.000 0.000 0.270 352 N C -0.799 174.710 175.510 -0.002 0.000 1.205 352 N CA -0.235 52.807 53.050 -0.013 0.000 0.974 352 N CB 1.330 39.798 38.487 -0.032 0.000 1.197 352 N HN -0.073 nan 8.380 nan 0.000 0.504 353 V N 1.455 121.366 119.914 -0.004 0.000 2.370 353 V HA 0.294 4.414 4.120 -0.000 0.000 0.279 353 V C 0.080 176.196 176.094 0.037 0.000 1.029 353 V CA -0.647 61.663 62.300 0.015 0.000 0.870 353 V CB 1.356 33.183 31.823 0.006 0.000 0.984 353 V HN 0.268 nan 8.190 nan 0.000 0.451 354 V N 4.209 124.169 119.914 0.076 0.000 2.513 354 V HA 0.837 4.957 4.120 -0.000 0.000 0.299 354 V C 0.280 176.462 176.094 0.145 0.000 1.035 354 V CA -0.455 61.933 62.300 0.147 0.000 0.889 354 V CB 1.798 33.752 31.823 0.219 0.000 0.988 354 V HN 0.968 nan 8.190 nan 0.000 0.440 355 A N 4.015 126.946 122.820 0.185 0.000 2.330 355 A HA 0.833 5.153 4.320 -0.000 0.000 0.313 355 A C -0.605 177.063 177.584 0.139 0.000 1.124 355 A CA -0.523 51.603 52.037 0.149 0.000 0.774 355 A CB 1.327 20.430 19.000 0.172 0.000 1.198 355 A HN 0.843 nan 8.150 nan 0.000 0.465 356 E N 1.310 121.565 120.200 0.091 0.000 2.369 356 E HA 0.736 5.086 4.350 -0.000 0.000 0.270 356 E C -0.344 176.282 176.600 0.044 0.000 0.909 356 E CA -0.659 55.775 56.400 0.057 0.000 0.775 356 E CB 2.392 32.116 29.700 0.039 0.000 1.270 356 E HN 1.126 nan 8.360 nan 0.000 0.445 357 G N 0.616 109.441 108.800 0.042 0.000 2.579 357 G HA2 0.384 4.344 3.960 -0.000 0.000 0.292 357 G HA3 0.384 4.344 3.960 -0.000 0.000 0.292 357 G C -1.544 173.272 174.900 -0.139 0.000 1.484 357 G CA -0.546 44.499 45.100 -0.092 0.000 0.813 357 G HN 0.334 nan 8.290 nan 0.000 0.515 358 S N -0.101 115.378 115.700 -0.369 0.000 2.478 358 S HA 0.792 5.262 4.470 -0.000 0.000 0.312 358 S C -1.267 173.105 174.600 -0.381 0.000 1.094 358 S CA -0.351 57.761 58.200 -0.146 0.000 1.081 358 S CB 0.740 63.952 63.200 0.020 0.000 1.007 358 S HN 0.424 nan 8.310 nan 0.000 0.475 359 Y N 1.105 121.535 120.300 0.216 0.000 2.633 359 Y HA 0.632 5.181 4.550 -0.000 0.000 0.339 359 Y C -0.737 175.333 175.900 0.283 0.000 1.045 359 Y CA -1.208 57.052 58.100 0.266 0.000 1.098 359 Y CB 1.138 39.737 38.460 0.232 0.000 1.296 359 Y HN 0.665 nan 8.280 nan 0.000 0.494 360 Y N 0.916 121.327 120.300 0.185 0.000 2.361 360 Y HA 0.517 5.067 4.550 -0.000 0.000 0.328 360 Y C -0.898 174.797 175.900 -0.341 0.000 1.044 360 Y CA -0.919 57.033 58.100 -0.247 0.000 1.085 360 Y CB 1.525 39.558 38.460 -0.712 0.000 1.194 360 Y HN 0.671 nan 8.280 nan 0.000 0.438 361 T N 4.177 118.180 114.554 -0.917 0.000 2.829 361 T HA 0.400 4.750 4.350 -0.000 0.000 0.282 361 T C -0.231 173.723 174.700 -1.244 0.000 0.990 361 T CA -0.972 60.621 62.100 -0.845 0.000 1.028 361 T CB 1.579 70.128 68.868 -0.533 0.000 0.951 361 T HN 0.744 nan 8.240 nan 0.000 0.460 362 Q N 2.735 122.042 119.800 -0.822 0.000 2.414 362 Q HA 0.195 4.535 4.340 -0.000 0.000 0.206 362 Q C -0.102 175.692 176.000 -0.343 0.000 1.058 362 Q CA -0.744 54.752 55.803 -0.512 0.000 1.025 362 Q CB 0.759 29.367 28.738 -0.216 0.000 1.196 362 Q HN 0.832 nan 8.270 nan 0.000 0.586 363 R N 1.009 121.410 120.500 -0.166 0.000 3.701 363 R HA 0.056 4.396 4.340 -0.000 0.000 0.210 363 R C -0.036 176.224 176.300 -0.067 0.000 1.598 363 R CA 0.004 56.058 56.100 -0.076 0.000 1.427 363 R CB -0.199 30.091 30.300 -0.017 0.000 1.339 363 R HN 0.569 nan 8.270 nan 0.000 0.720 364 Q N 4.013 123.702 119.800 -0.185 0.000 2.274 364 Q HA 0.098 4.438 4.340 -0.000 0.000 0.280 364 Q C -2.031 173.955 176.000 -0.024 0.000 1.047 364 Q CA -1.617 54.063 55.803 -0.204 0.000 0.907 364 Q CB 0.914 29.343 28.738 -0.514 0.000 1.171 364 Q HN 0.338 nan 8.270 nan 0.000 0.381 365 P HA 0.044 nan 4.420 nan 0.000 0.285 365 P C -0.205 177.141 177.300 0.077 0.000 1.259 365 P CA -0.106 63.011 63.100 0.028 0.000 0.794 365 P CB 0.821 32.544 31.700 0.039 0.000 0.940 366 H N 2.948 122.000 119.070 -0.029 0.000 2.422 366 H HA -0.037 4.519 4.556 -0.000 0.000 0.298 366 H C 0.892 176.169 175.328 -0.084 0.000 1.098 366 H CA 0.604 56.491 56.048 -0.269 0.000 1.315 366 H CB -0.187 29.363 29.762 -0.353 0.000 1.382 366 H HN 0.388 nan 8.280 nan 0.000 0.523 367 L N 0.897 122.180 121.223 0.100 0.000 3.795 367 L HA -0.150 4.189 4.340 -0.000 0.000 0.489 367 L C -2.346 174.654 176.870 0.217 0.000 1.259 367 L CA -0.585 54.364 54.840 0.182 0.000 0.765 367 L CB -1.307 40.828 42.059 0.127 0.000 1.519 367 L HN 0.210 nan 8.230 nan 0.000 0.842 368 P HA 0.147 nan 4.420 nan 0.000 0.278 368 P C 1.216 178.674 177.300 0.263 0.000 1.238 368 P CA -0.495 62.788 63.100 0.305 0.000 0.794 368 P CB 1.172 33.004 31.700 0.219 0.000 0.955 369 I N 0.530 121.220 120.570 0.200 0.000 2.361 369 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 369 I C 1.320 177.456 176.117 0.033 0.000 1.133 369 I CA 1.447 62.854 61.300 0.178 0.000 1.413 369 I CB -1.134 37.039 38.000 0.289 0.000 1.073 369 I HN 0.519 nan 8.210 nan 0.000 0.424 370 E N 4.228 124.181 120.200 -0.413 0.000 2.130 370 E HA 0.207 4.557 4.350 -0.000 0.000 0.284 370 E C -2.279 174.191 176.600 -0.218 0.000 1.018 370 E CA -2.031 53.904 56.400 -0.774 0.000 0.817 370 E CB 1.382 30.154 29.700 -1.545 0.000 1.078 370 E HN 0.042 nan 8.360 nan 0.000 0.396 371 P HA -0.000 nan 4.420 nan 0.000 0.271 371 P C -0.268 176.995 177.300 -0.062 0.000 1.244 371 P CA -0.281 62.773 63.100 -0.076 0.000 0.793 371 P CB 0.597 32.326 31.700 0.049 0.000 0.984 372 D N -0.856 119.489 120.400 -0.091 0.000 2.419 372 D HA 0.223 4.862 4.640 -0.000 0.000 0.236 372 D C -0.596 175.587 176.300 -0.195 0.000 1.165 372 D CA 0.545 54.449 54.000 -0.160 0.000 0.882 372 D CB 0.336 40.886 40.800 -0.415 0.000 1.201 372 D HN 0.065 nan 8.370 nan 0.000 0.443 373 V N 0.828 120.634 119.914 -0.181 0.000 3.177 373 V HA 0.761 4.881 4.120 -0.000 0.000 0.287 373 V C -0.623 175.379 176.094 -0.153 0.000 1.465 373 V CA 0.352 62.579 62.300 -0.122 0.000 1.020 373 V CB 1.640 33.492 31.823 0.049 0.000 1.152 373 V HN 0.758 nan 8.190 nan 0.000 0.448 374 G N 3.098 111.773 108.800 -0.209 0.000 2.523 374 G HA2 0.705 4.665 3.960 -0.000 0.000 0.291 374 G HA3 0.705 4.665 3.960 -0.000 0.000 0.291 374 G C -1.912 172.867 174.900 -0.201 0.000 1.450 374 G CA 0.118 45.085 45.100 -0.222 0.000 0.790 374 G HN 1.904 nan 8.290 nan 0.000 0.496 375 Y N -2.035 118.208 120.300 -0.096 0.000 2.689 375 Y HA 0.919 5.469 4.550 -0.000 0.000 0.333 375 Y C 0.221 176.147 175.900 0.044 0.000 1.190 375 Y CA -1.048 57.025 58.100 -0.046 0.000 1.063 375 Y CB 1.426 39.906 38.460 0.033 0.000 1.294 375 Y HN 1.308 nan 8.280 nan 0.000 0.466 376 G N -0.292 108.686 108.800 0.297 0.000 2.660 376 G HA2 0.602 4.562 3.960 -0.000 0.000 0.290 376 G HA3 0.602 4.562 3.960 -0.000 0.000 0.290 376 G C -2.292 172.778 174.900 0.282 0.000 1.432 376 G CA -0.580 44.638 45.100 0.196 0.000 0.807 376 G HN 1.360 nan 8.290 nan 0.000 0.485 377 Y N -1.657 118.698 120.300 0.092 0.000 2.779 377 Y HA 0.706 5.256 4.550 -0.000 0.000 0.340 377 Y C -1.483 174.447 175.900 0.051 0.000 1.252 377 Y CA -1.777 56.357 58.100 0.057 0.000 1.072 377 Y CB 0.842 39.329 38.460 0.045 0.000 1.343 377 Y HN 0.503 nan 8.280 nan 0.000 0.450 378 I N 3.247 123.978 120.570 0.268 0.000 2.331 378 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 378 I C 0.083 176.364 176.117 0.272 0.000 0.998 378 I CA -0.401 60.985 61.300 0.143 0.000 1.267 378 I CB 0.767 38.834 38.000 0.110 0.000 1.386 378 I HN 0.710 nan 8.210 nan 0.000 0.476 379 N N 3.977 122.743 118.700 0.110 0.000 2.381 379 N HA -0.098 4.642 4.740 -0.000 0.000 0.241 379 N C 0.816 176.411 175.510 0.141 0.000 1.279 379 N CA 0.309 53.462 53.050 0.170 0.000 0.896 379 N CB 0.690 39.204 38.487 0.045 0.000 1.118 379 N HN 0.437 nan 8.380 nan 0.000 0.438 380 E N 0.439 120.719 120.200 0.134 0.000 2.512 380 E HA -0.009 4.341 4.350 -0.000 0.000 0.195 380 E C -0.108 176.523 176.600 0.053 0.000 1.083 380 E CA 0.829 57.278 56.400 0.081 0.000 0.873 380 E CB 0.004 29.745 29.700 0.068 0.000 0.897 380 E HN 0.553 nan 8.360 nan 0.000 0.514 381 Q N -1.930 117.899 119.800 0.048 0.000 2.086 381 Q HA 0.300 4.640 4.340 -0.000 0.000 0.220 381 Q C 0.643 176.654 176.000 0.019 0.000 0.792 381 Q CA 0.258 56.077 55.803 0.026 0.000 1.062 381 Q CB 1.358 30.106 28.738 0.016 0.000 1.198 381 Q HN 0.247 nan 8.270 nan 0.000 0.466 382 G N 0.741 109.558 108.800 0.028 0.000 2.162 382 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 382 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 382 G C 0.036 174.942 174.900 0.009 0.000 0.976 382 G CA 0.046 45.159 45.100 0.021 0.000 0.655 382 G HN 0.336 nan 8.290 nan 0.000 0.533 383 Q N -0.440 119.360 119.800 -0.001 0.000 2.260 383 Q HA 0.572 4.912 4.340 -0.000 0.000 0.242 383 Q C 0.106 176.071 176.000 -0.057 0.000 0.932 383 Q CA -0.664 55.124 55.803 -0.024 0.000 0.891 383 Q CB 2.259 30.977 28.738 -0.034 0.000 1.222 383 Q HN 0.139 nan 8.270 nan 0.000 0.453 384 V N 2.633 122.512 119.914 -0.059 0.000 2.406 384 V HA 0.166 4.285 4.120 -0.000 0.000 0.272 384 V C -0.226 175.771 176.094 -0.162 0.000 1.043 384 V CA -0.413 61.830 62.300 -0.096 0.000 0.915 384 V CB 1.191 32.988 31.823 -0.044 0.000 0.988 384 V HN 0.471 nan 8.190 nan 0.000 0.466 385 V N 7.099 126.808 119.914 -0.341 0.000 2.398 385 V HA 0.522 4.642 4.120 -0.000 0.000 0.286 385 V C -0.104 175.857 176.094 -0.221 0.000 1.026 385 V CA -0.422 61.657 62.300 -0.368 0.000 0.868 385 V CB 1.585 32.971 31.823 -0.729 0.000 0.982 385 V HN 0.648 nan 8.190 nan 0.000 0.443 386 I N 4.380 124.888 120.570 -0.102 0.000 2.436 386 I HA 0.458 4.627 4.170 -0.000 0.000 0.289 386 I C -0.329 175.735 176.117 -0.088 0.000 1.010 386 I CA -0.480 60.788 61.300 -0.052 0.000 1.098 386 I CB 1.493 39.444 38.000 -0.082 0.000 1.266 386 I HN 0.595 nan 8.210 nan 0.000 0.434 387 H N 4.546 123.423 119.070 -0.321 0.000 2.467 387 H HA 0.594 5.150 4.556 -0.000 0.000 0.326 387 H C -0.291 174.774 175.328 -0.440 0.000 1.094 387 H CA -0.374 55.398 56.048 -0.461 0.000 1.253 387 H CB 2.051 31.257 29.762 -0.926 0.000 1.439 387 H HN 0.740 nan 8.280 nan 0.000 0.479 388 S N 1.756 117.309 115.700 -0.246 0.000 2.724 388 S HA 0.204 4.674 4.470 -0.000 0.000 0.278 388 S C -0.051 174.431 174.600 -0.197 0.000 1.190 388 S CA -1.048 57.023 58.200 -0.214 0.000 0.860 388 S CB 1.672 64.754 63.200 -0.196 0.000 1.206 388 S HN 0.595 nan 8.310 nan 0.000 0.507 389 K N 0.930 121.209 120.400 -0.202 0.000 2.444 389 K HA 0.254 4.574 4.320 -0.000 0.000 0.193 389 K C 0.577 177.004 176.600 -0.287 0.000 1.024 389 K CA 0.269 56.419 56.287 -0.228 0.000 1.077 389 K CB 0.081 32.443 32.500 -0.229 0.000 0.833 389 K HN 0.538 nan 8.250 nan 0.000 0.517 390 S N 1.460 117.020 115.700 -0.234 0.000 2.810 390 S HA -0.059 4.410 4.470 -0.000 0.000 0.329 390 S C 0.815 175.235 174.600 -0.300 0.000 1.231 390 S CA -0.270 57.819 58.200 -0.186 0.000 1.042 390 S CB 0.379 63.540 63.200 -0.065 0.000 0.756 390 S HN 0.244 nan 8.310 nan 0.000 0.504 391 V N 2.603 122.300 119.914 -0.361 0.000 3.099 391 V HA 0.766 4.886 4.120 -0.000 0.000 0.356 391 V C 0.480 176.339 176.094 -0.391 0.000 1.364 391 V CA 0.210 62.269 62.300 -0.403 0.000 1.229 391 V CB -0.330 31.141 31.823 -0.588 0.000 1.227 391 V HN 1.088 nan 8.190 nan 0.000 0.493 392 A N 0.994 123.476 122.820 -0.562 0.000 3.411 392 A HA 0.481 4.800 4.320 -0.000 0.000 0.238 392 A C 0.839 178.012 177.584 -0.686 0.000 1.140 392 A CA 0.178 51.812 52.037 -0.672 0.000 0.980 392 A CB -0.190 18.203 19.000 -1.013 0.000 1.371 392 A HN 0.630 nan 8.150 nan 0.000 0.700 393 I N -2.388 117.936 120.570 -0.410 0.000 2.248 393 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 393 I C 1.806 177.669 176.117 -0.423 0.000 1.107 393 I CA 2.114 63.194 61.300 -0.367 0.000 1.373 393 I CB -0.533 37.284 38.000 -0.306 0.000 1.055 393 I HN 0.538 nan 8.210 nan 0.000 0.418 394 H N 0.463 119.374 119.070 -0.265 0.000 2.395 394 H HA 0.003 4.559 4.556 -0.000 0.000 0.299 394 H C 1.959 177.068 175.328 -0.365 0.000 1.070 394 H CA 1.580 57.465 56.048 -0.272 0.000 1.356 394 H CB -0.042 29.664 29.762 -0.094 0.000 1.401 394 H HN 0.254 nan 8.280 nan 0.000 0.524 395 L N 0.050 121.138 121.223 -0.226 0.000 2.056 395 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 395 L C 1.736 178.514 176.870 -0.153 0.000 1.078 395 L CA 1.805 56.520 54.840 -0.209 0.000 0.749 395 L CB -0.454 41.440 42.059 -0.275 0.000 0.901 395 L HN 0.384 nan 8.230 nan 0.000 0.433 396 H N -1.566 117.344 119.070 -0.267 0.000 2.428 396 H HA -0.002 4.553 4.556 -0.000 0.000 0.296 396 H C 2.149 177.299 175.328 -0.297 0.000 1.062 396 H CA 0.504 56.402 56.048 -0.249 0.000 1.350 396 H CB 0.102 29.723 29.762 -0.236 0.000 1.403 396 H HN 0.513 nan 8.280 nan 0.000 0.533 397 A N 1.130 123.751 122.820 -0.332 0.000 1.877 397 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 397 A C 2.117 179.453 177.584 -0.414 0.000 1.186 397 A CA 1.188 52.917 52.037 -0.515 0.000 0.620 397 A CB -0.472 17.797 19.000 -1.219 0.000 0.822 397 A HN 0.188 nan 8.150 nan 0.000 0.443 398 L N -0.825 120.150 121.223 -0.412 0.000 2.141 398 L HA -0.029 4.310 4.340 -0.000 0.000 0.209 398 L C 2.572 179.360 176.870 -0.137 0.000 1.094 398 L CA 1.626 56.342 54.840 -0.206 0.000 0.763 398 L CB -0.774 41.195 42.059 -0.151 0.000 0.908 398 L HN 0.406 nan 8.230 nan 0.000 0.437 399 M N -1.296 118.218 119.600 -0.143 0.000 2.394 399 M HA -0.088 4.391 4.480 -0.000 0.000 0.264 399 M C 1.854 178.068 176.300 -0.143 0.000 1.073 399 M CA 1.327 56.530 55.300 -0.161 0.000 1.111 399 M CB -0.018 32.502 32.600 -0.135 0.000 1.401 399 M HN 0.326 nan 8.290 nan 0.000 0.448 400 I N -4.435 116.070 120.570 -0.107 0.000 4.139 400 I HA 0.318 4.488 4.170 -0.000 0.000 0.320 400 I C 2.258 178.367 176.117 -0.012 0.000 1.290 400 I CA 0.356 61.615 61.300 -0.068 0.000 1.253 400 I CB -0.439 37.509 38.000 -0.087 0.000 1.122 400 I HN -0.027 nan 8.210 nan 0.000 0.421 401 A N 2.841 125.655 122.820 -0.009 0.000 1.884 401 A HA -0.114 4.205 4.320 -0.000 0.000 0.219 401 A C 0.185 177.813 177.584 0.074 0.000 1.197 401 A CA 2.460 54.522 52.037 0.041 0.000 0.637 401 A CB -2.128 16.912 19.000 0.067 0.000 0.827 401 A HN 0.411 nan 8.150 nan 0.000 0.450 402 P HA -0.062 nan 4.420 nan 0.000 0.217 402 P C 1.595 178.970 177.300 0.124 0.000 1.150 402 P CA 1.650 64.843 63.100 0.155 0.000 0.832 402 P CB -0.355 31.540 31.700 0.325 0.000 0.787 403 G N -0.923 107.966 108.800 0.148 0.000 2.534 403 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 403 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 403 G C 1.292 176.225 174.900 0.054 0.000 1.128 403 G CA 0.284 45.446 45.100 0.103 0.000 0.784 403 G HN 0.242 nan 8.290 nan 0.000 0.542 404 L N -0.480 120.771 121.223 0.047 0.000 2.513 404 L HA 0.274 4.614 4.340 -0.000 0.000 0.222 404 L C 1.849 178.739 176.870 0.033 0.000 1.096 404 L CA 0.484 55.344 54.840 0.034 0.000 0.857 404 L CB 0.207 42.281 42.059 0.025 0.000 1.026 404 L HN 0.324 nan 8.230 nan 0.000 0.469 405 G N 1.108 109.931 108.800 0.038 0.000 2.171 405 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.238 405 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.238 405 G C -0.191 174.730 174.900 0.035 0.000 1.039 405 G CA -0.012 45.107 45.100 0.032 0.000 0.759 405 G HN 0.199 nan 8.290 nan 0.000 0.501 406 L N -1.203 120.047 121.223 0.046 0.000 2.279 406 L HA 0.826 5.166 4.340 -0.000 0.000 0.262 406 L C 0.226 177.139 176.870 0.071 0.000 1.019 406 L CA -1.141 53.730 54.840 0.051 0.000 0.823 406 L CB 1.866 43.956 42.059 0.051 0.000 1.358 406 L HN 0.129 nan 8.230 nan 0.000 0.432 407 E N 0.493 120.738 120.200 0.075 0.000 2.224 407 E HA 0.337 4.687 4.350 -0.000 0.000 0.265 407 E C -1.687 174.992 176.600 0.131 0.000 0.878 407 E CA -0.563 55.895 56.400 0.095 0.000 0.759 407 E CB 2.719 32.452 29.700 0.056 0.000 1.164 407 E HN 0.228 nan 8.360 nan 0.000 0.414 408 F N 5.066 125.019 119.950 0.005 0.000 2.404 408 F HA 0.393 4.920 4.527 -0.000 0.000 0.345 408 F C -1.551 174.254 175.800 0.009 0.000 1.110 408 F CA -1.948 56.052 58.000 -0.001 0.000 1.130 408 F CB 1.133 40.133 39.000 -0.000 0.000 1.129 408 F HN 0.330 nan 8.300 nan 0.000 0.500 409 P HA 0.138 nan 4.420 nan 0.000 0.278 409 P C 0.108 177.205 177.300 -0.339 0.000 1.502 409 P CA 0.038 62.611 63.100 -0.878 0.000 1.114 409 P CB 0.179 31.157 31.700 -1.205 0.000 1.541 410 K N 0.007 120.305 120.400 -0.169 0.000 2.167 410 K HA -0.014 4.305 4.320 -0.000 0.000 0.203 410 K C 0.807 177.377 176.600 -0.049 0.000 1.052 410 K CA 1.214 57.445 56.287 -0.093 0.000 0.956 410 K CB -0.193 32.271 32.500 -0.060 0.000 0.735 410 K HN -0.129 nan 8.250 nan 0.000 0.451 411 D N -0.044 120.344 120.400 -0.018 0.000 2.449 411 D HA 0.113 4.753 4.640 -0.000 0.000 0.210 411 D C -0.415 175.893 176.300 0.013 0.000 1.094 411 D CA -0.015 53.986 54.000 0.002 0.000 0.846 411 D CB 0.592 41.403 40.800 0.018 0.000 1.003 411 D HN 0.137 nan 8.370 nan 0.000 0.504 412 L N 1.008 122.258 121.223 0.045 0.000 2.386 412 L HA 0.475 4.815 4.340 -0.000 0.000 0.271 412 L C -1.394 175.544 176.870 0.113 0.000 0.993 412 L CA -0.764 54.130 54.840 0.090 0.000 0.819 412 L CB 2.417 44.581 42.059 0.176 0.000 1.294 412 L HN -0.335 nan 8.230 nan 0.000 0.414 413 V N 5.452 125.388 119.914 0.037 0.000 2.638 413 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 413 V C -0.835 175.233 176.094 -0.042 0.000 1.052 413 V CA -0.543 61.768 62.300 0.019 0.000 0.885 413 V CB 1.861 33.660 31.823 -0.042 0.000 0.999 413 V HN 0.588 nan 8.190 nan 0.000 0.424 414 L N 4.786 125.971 121.223 -0.063 0.000 2.346 414 L HA 0.783 5.123 4.340 -0.000 0.000 0.276 414 L C -0.613 176.119 176.870 -0.230 0.000 1.006 414 L CA -0.204 54.538 54.840 -0.163 0.000 0.817 414 L CB 2.120 44.065 42.059 -0.191 0.000 1.272 414 L HN 0.473 nan 8.230 nan 0.000 0.421 415 V N 3.225 122.933 119.914 -0.344 0.000 2.577 415 V HA 0.387 4.507 4.120 -0.000 0.000 0.303 415 V C -0.446 175.409 176.094 -0.398 0.000 1.042 415 V CA -0.764 61.273 62.300 -0.440 0.000 0.872 415 V CB 1.752 33.067 31.823 -0.847 0.000 0.998 415 V HN 0.729 nan 8.190 nan 0.000 0.423 416 Q N 3.864 123.501 119.800 -0.272 0.000 2.314 416 Q HA 0.344 4.684 4.340 -0.000 0.000 0.257 416 Q C -0.029 175.863 176.000 -0.179 0.000 0.975 416 Q CA -0.124 55.547 55.803 -0.221 0.000 0.933 416 Q CB 0.744 29.367 28.738 -0.190 0.000 1.195 416 Q HN 0.836 nan 8.270 nan 0.000 0.426 417 N N 1.005 119.616 118.700 -0.148 0.000 2.327 417 N HA 0.119 4.859 4.740 -0.000 0.000 0.257 417 N C -0.651 174.801 175.510 -0.097 0.000 1.281 417 N CA -0.234 52.779 53.050 -0.062 0.000 0.942 417 N CB 0.569 39.055 38.487 -0.001 0.000 1.199 417 N HN 0.460 nan 8.380 nan 0.000 0.532 418 T N 1.097 115.576 114.554 -0.125 0.000 2.817 418 T HA 0.067 4.417 4.350 -0.000 0.000 0.295 418 T C -0.253 174.343 174.700 -0.173 0.000 0.958 418 T CA 0.248 62.202 62.100 -0.244 0.000 1.157 418 T CB 0.059 68.648 68.868 -0.464 0.000 0.898 418 T HN 0.273 nan 8.240 nan 0.000 0.536 419 T N 3.023 117.532 114.554 -0.074 0.000 2.795 419 T HA 0.460 4.810 4.350 -0.000 0.000 0.282 419 T C 1.115 175.973 174.700 0.263 0.000 0.980 419 T CA -0.663 61.473 62.100 0.060 0.000 1.012 419 T CB 1.259 70.080 68.868 -0.078 0.000 0.936 419 T HN 0.628 nan 8.240 nan 0.000 0.457 420 G N 1.766 110.778 108.800 0.354 0.000 3.943 420 G HA2 0.507 4.467 3.960 -0.000 0.000 0.275 420 G HA3 0.507 4.467 3.960 -0.000 0.000 0.275 420 G C 0.657 175.589 174.900 0.054 0.000 1.234 420 G CA -0.078 45.192 45.100 0.282 0.000 1.522 420 G HN 1.157 nan 8.290 nan 0.000 0.636 421 G N -0.287 108.515 108.800 0.004 0.000 2.764 421 G HA2 0.133 4.093 3.960 -0.000 0.000 0.686 421 G HA3 0.133 4.093 3.960 -0.000 0.000 0.686 421 G C 0.453 175.244 174.900 -0.181 0.000 1.258 421 G CA 0.344 45.314 45.100 -0.217 0.000 0.846 421 G HN 1.389 nan 8.290 nan 0.000 0.596 422 T N -1.228 113.100 114.554 -0.376 0.000 3.098 422 T HA 0.365 4.715 4.350 -0.000 0.000 0.256 422 T C 1.488 176.193 174.700 0.007 0.000 0.921 422 T CA 1.170 63.247 62.100 -0.038 0.000 0.916 422 T CB -0.001 68.710 68.868 -0.262 0.000 1.246 422 T HN 1.892 nan 8.240 nan 0.000 0.511 423 F N 1.746 121.743 119.950 0.077 0.000 3.048 423 F HA -0.116 4.411 4.527 -0.000 0.000 0.287 423 F C 1.620 177.358 175.800 -0.103 0.000 0.796 423 F CA 1.179 59.126 58.000 -0.089 0.000 1.111 423 F CB -1.859 37.013 39.000 -0.213 0.000 1.320 423 F HN 0.812 nan 8.300 nan 0.000 0.430 424 G N -1.091 107.738 108.800 0.048 0.000 2.699 424 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.198 424 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.198 424 G C 0.613 175.477 174.900 -0.060 0.000 1.033 424 G CA 0.003 45.132 45.100 0.049 0.000 0.728 424 G HN 0.816 nan 8.290 nan 0.000 0.484 425 Y N 2.045 122.002 120.300 -0.571 0.000 2.348 425 Y HA 0.128 4.678 4.550 -0.000 0.000 0.285 425 Y C 1.908 177.654 175.900 -0.257 0.000 1.173 425 Y CA 1.899 59.594 58.100 -0.674 0.000 1.263 425 Y CB -0.038 37.742 38.460 -1.134 0.000 0.974 425 Y HN 0.160 nan 8.280 nan 0.000 0.547 426 K N 0.071 120.082 120.400 -0.649 0.000 2.458 426 K HA 0.027 4.347 4.320 -0.000 0.000 0.194 426 K C 1.068 177.622 176.600 -0.076 0.000 1.024 426 K CA 0.049 56.028 56.287 -0.514 0.000 1.108 426 K CB -0.662 31.433 32.500 -0.675 0.000 0.846 426 K HN 0.464 nan 8.250 nan 0.000 0.518 427 F N 0.973 120.847 119.950 -0.127 0.000 2.502 427 F HA 0.035 4.561 4.527 -0.000 0.000 0.298 427 F C 0.560 176.495 175.800 0.224 0.000 1.111 427 F CA 0.372 58.338 58.000 -0.055 0.000 1.445 427 F CB 0.479 39.355 39.000 -0.207 0.000 1.081 427 F HN -0.270 nan 8.300 nan 0.000 0.558 428 S N 0.923 116.773 115.700 0.250 0.000 2.509 428 S HA 0.387 4.857 4.470 -0.000 0.000 0.297 428 S C -2.505 171.971 174.600 -0.206 0.000 1.118 428 S CA -1.438 56.874 58.200 0.187 0.000 1.074 428 S CB 1.314 64.725 63.200 0.352 0.000 1.038 428 S HN -0.199 nan 8.310 nan 0.000 0.498 429 P HA 0.193 nan 4.420 nan 0.000 0.276 429 P C 0.400 177.595 177.300 -0.174 0.000 1.243 429 P CA -0.175 62.601 63.100 -0.540 0.000 0.768 429 P CB 0.787 32.190 31.700 -0.496 0.000 0.856 430 T N 0.001 114.467 114.554 -0.147 0.000 3.234 430 T HA 0.068 4.417 4.350 -0.000 0.000 0.235 430 T C 1.188 175.855 174.700 -0.056 0.000 0.971 430 T CA 0.373 62.451 62.100 -0.037 0.000 1.292 430 T CB -0.218 68.641 68.868 -0.015 0.000 0.994 430 T HN 0.357 nan 8.240 nan 0.000 0.412 431 M N 0.584 120.129 119.600 -0.092 0.000 2.502 431 M HA 0.520 5.000 4.480 -0.000 0.000 0.351 431 M C 0.442 176.716 176.300 -0.042 0.000 1.118 431 M CA 0.320 55.612 55.300 -0.012 0.000 0.952 431 M CB 0.167 32.776 32.600 0.016 0.000 1.424 431 M HN 0.045 nan 8.290 nan 0.000 0.529 432 E N 2.001 122.144 120.200 -0.094 0.000 2.110 432 E HA 0.033 4.383 4.350 -0.000 0.000 0.193 432 E C 2.168 178.732 176.600 -0.060 0.000 0.988 432 E CA 2.181 58.525 56.400 -0.093 0.000 0.804 432 E CB -0.183 29.441 29.700 -0.127 0.000 0.745 432 E HN 0.711 nan 8.360 nan 0.000 0.458 433 A N 0.250 123.036 122.820 -0.055 0.000 1.930 433 A HA -0.024 4.296 4.320 -0.000 0.000 0.215 433 A C 2.116 179.704 177.584 0.007 0.000 1.176 433 A CA 0.615 52.634 52.037 -0.030 0.000 0.632 433 A CB -0.456 18.518 19.000 -0.043 0.000 0.819 433 A HN 0.157 nan 8.150 nan 0.000 0.445 434 L N -0.444 120.798 121.223 0.030 0.000 2.012 434 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 434 L C 2.515 179.422 176.870 0.062 0.000 1.073 434 L CA 1.254 56.135 54.840 0.069 0.000 0.748 434 L CB -0.662 41.472 42.059 0.125 0.000 0.891 434 L HN 0.238 nan 8.230 nan 0.000 0.431 435 V N 0.135 120.076 119.914 0.045 0.000 2.358 435 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 435 V C 2.621 178.734 176.094 0.032 0.000 1.047 435 V CA 1.978 64.303 62.300 0.041 0.000 1.035 435 V CB -1.183 30.651 31.823 0.018 0.000 0.658 435 V HN 0.570 nan 8.190 nan 0.000 0.452 436 G N -0.408 108.400 108.800 0.014 0.000 2.418 436 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.217 436 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.217 436 G C 1.700 176.614 174.900 0.024 0.000 1.158 436 G CA 1.156 46.262 45.100 0.009 0.000 0.771 436 G HN 0.359 nan 8.290 nan 0.000 0.545 437 V N 1.474 121.407 119.914 0.032 0.000 2.287 437 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 437 V C 3.332 179.455 176.094 0.049 0.000 1.053 437 V CA 2.175 64.499 62.300 0.040 0.000 1.027 437 V CB -0.781 31.070 31.823 0.046 0.000 0.646 437 V HN 0.482 nan 8.190 nan 0.000 0.447 438 A N -0.624 122.230 122.820 0.057 0.000 1.902 438 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 438 A C 2.387 180.008 177.584 0.062 0.000 1.181 438 A CA 1.983 54.061 52.037 0.067 0.000 0.623 438 A CB -0.664 18.381 19.000 0.074 0.000 0.818 438 A HN 0.326 nan 8.150 nan 0.000 0.443 439 V N 0.092 120.037 119.914 0.052 0.000 2.295 439 V HA -0.327 3.793 4.120 -0.000 0.000 0.246 439 V C 2.677 178.798 176.094 0.046 0.000 1.049 439 V CA 2.304 64.633 62.300 0.048 0.000 1.024 439 V CB -0.653 31.195 31.823 0.041 0.000 0.648 439 V HN 0.577 nan 8.190 nan 0.000 0.447 440 M N -0.461 119.164 119.600 0.041 0.000 2.117 440 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 440 M C 2.380 178.709 176.300 0.050 0.000 1.065 440 M CA 2.067 57.391 55.300 0.040 0.000 1.114 440 M CB -0.600 32.020 32.600 0.033 0.000 1.361 440 M HN 0.408 nan 8.290 nan 0.000 0.408 441 A N 0.324 123.179 122.820 0.058 0.000 1.930 441 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 441 A C 2.268 179.912 177.584 0.100 0.000 1.175 441 A CA 2.242 54.322 52.037 0.071 0.000 0.627 441 A CB -0.966 18.078 19.000 0.073 0.000 0.815 441 A HN 0.597 nan 8.150 nan 0.000 0.443 442 T N -5.458 109.159 114.554 0.106 0.000 3.039 442 T HA 0.397 4.747 4.350 -0.000 0.000 0.250 442 T C 1.533 176.275 174.700 0.069 0.000 1.052 442 T CA 1.205 63.383 62.100 0.130 0.000 1.125 442 T CB 0.051 68.973 68.868 0.090 0.000 0.908 442 T HN 1.727 nan 8.240 nan 0.000 0.473 443 G N 1.587 110.417 108.800 0.050 0.000 2.159 443 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.256 443 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.256 443 G C 0.112 175.027 174.900 0.026 0.000 0.977 443 G CA 0.140 45.265 45.100 0.042 0.000 0.652 443 G HN 0.752 nan 8.290 nan 0.000 0.531 444 R N 0.068 120.568 120.500 -0.001 0.000 2.873 444 R HA 0.577 4.917 4.340 -0.000 0.000 0.264 444 R C -2.748 173.561 176.300 0.015 0.000 1.026 444 R CA -2.207 53.878 56.100 -0.024 0.000 1.002 444 R CB 1.362 31.587 30.300 -0.125 0.000 1.174 444 R HN -0.006 nan 8.270 nan 0.000 0.488 445 P HA 0.070 nan 4.420 nan 0.000 0.267 445 P C -0.864 176.440 177.300 0.008 0.000 1.205 445 P CA -0.168 62.967 63.100 0.058 0.000 0.765 445 P CB 0.507 32.198 31.700 -0.014 0.000 0.828 446 C N 3.167 122.502 119.300 0.059 0.000 2.563 446 C HA 0.489 4.949 4.460 -0.000 0.000 0.314 446 C C -0.285 174.760 174.990 0.092 0.000 1.199 446 C CA -0.394 58.641 59.018 0.028 0.000 1.564 446 C CB 0.967 28.735 27.740 0.046 0.000 2.173 446 C HN 0.606 nan 8.230 nan 0.000 0.485 447 H N 2.698 121.710 119.070 -0.097 0.000 2.589 447 H HA 0.617 5.172 4.556 -0.000 0.000 0.335 447 H C -1.711 173.659 175.328 0.070 0.000 1.019 447 H CA -0.436 55.609 56.048 -0.004 0.000 1.213 447 H CB 1.612 31.288 29.762 -0.144 0.000 1.472 447 H HN 0.608 nan 8.280 nan 0.000 0.508 448 L N 6.138 127.298 121.223 -0.104 0.000 2.313 448 L HA 0.482 4.822 4.340 -0.000 0.000 0.283 448 L C -0.855 176.032 176.870 0.029 0.000 1.013 448 L CA -0.457 54.422 54.840 0.065 0.000 0.816 448 L CB 1.128 43.251 42.059 0.106 0.000 1.236 448 L HN 0.657 nan 8.230 nan 0.000 0.419 449 R N 3.973 124.619 120.500 0.243 0.000 2.561 449 R HA 0.423 4.763 4.340 -0.000 0.000 0.297 449 R C -1.682 174.868 176.300 0.417 0.000 0.969 449 R CA -0.631 55.641 56.100 0.286 0.000 0.879 449 R CB 1.267 31.787 30.300 0.366 0.000 1.178 449 R HN 0.520 nan 8.270 nan 0.000 0.445 450 Y N 2.405 122.771 120.300 0.110 0.000 2.310 450 Y HA 0.179 4.729 4.550 -0.000 0.000 0.326 450 Y C 0.662 176.619 175.900 0.095 0.000 1.151 450 Y CA -1.355 56.803 58.100 0.096 0.000 1.195 450 Y CB 1.079 39.577 38.460 0.063 0.000 1.210 450 Y HN 0.665 nan 8.280 nan 0.000 0.483 451 N N 0.180 119.004 118.700 0.207 0.000 2.413 451 N HA 0.029 4.769 4.740 -0.000 0.000 0.266 451 N C 0.455 176.068 175.510 0.172 0.000 1.238 451 N CA -0.466 52.697 53.050 0.187 0.000 0.972 451 N CB 0.133 38.709 38.487 0.149 0.000 1.210 451 N HN 0.610 nan 8.380 nan 0.000 0.547 452 Y N -1.081 119.289 120.300 0.116 0.000 2.403 452 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 452 Y C 2.170 178.135 175.900 0.108 0.000 1.143 452 Y CA 1.489 59.650 58.100 0.101 0.000 1.257 452 Y CB 0.106 38.617 38.460 0.085 0.000 0.984 452 Y HN 0.784 nan 8.280 nan 0.000 0.550 453 E N -0.405 119.905 120.200 0.183 0.000 2.208 453 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 453 E C 1.725 178.387 176.600 0.104 0.000 0.988 453 E CA 1.083 57.583 56.400 0.166 0.000 0.828 453 E CB 0.070 29.870 29.700 0.165 0.000 0.763 453 E HN 0.625 nan 8.360 nan 0.000 0.478 454 Q N -0.319 119.507 119.800 0.043 0.000 2.212 454 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 454 Q C 2.008 178.055 176.000 0.080 0.000 0.950 454 Q CA 0.903 56.709 55.803 0.004 0.000 0.863 454 Q CB 0.063 28.669 28.738 -0.219 0.000 0.944 454 Q HN 0.092 nan 8.270 nan 0.000 0.465 455 Q N 0.781 120.561 119.800 -0.035 0.000 2.124 455 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 455 Q C 1.902 177.726 176.000 -0.294 0.000 0.977 455 Q CA 1.604 57.272 55.803 -0.226 0.000 0.850 455 Q CB 0.107 28.440 28.738 -0.674 0.000 0.901 455 Q HN 0.227 nan 8.270 nan 0.000 0.429 456 Q N 0.096 119.755 119.800 -0.235 0.000 2.033 456 Q HA -0.047 4.293 4.340 -0.000 0.000 0.196 456 Q C 1.539 177.439 176.000 -0.166 0.000 0.970 456 Q CA 1.642 57.335 55.803 -0.182 0.000 0.828 456 Q CB -0.282 28.489 28.738 0.056 0.000 0.895 456 Q HN 0.719 nan 8.270 nan 0.000 0.440 457 N N -1.478 117.300 118.700 0.129 0.000 2.398 457 N HA -0.118 4.621 4.740 -0.000 0.000 0.188 457 N C 0.164 175.928 175.510 0.423 0.000 1.122 457 N CA 0.369 53.624 53.050 0.342 0.000 0.866 457 N CB -0.211 38.607 38.487 0.552 0.000 0.970 457 N HN 0.223 nan 8.380 nan 0.000 0.462 458 Y N 0.558 120.944 120.300 0.144 0.000 2.658 458 Y HA 0.256 4.806 4.550 -0.000 0.000 0.273 458 Y C -0.773 175.365 175.900 0.396 0.000 0.992 458 Y CA -0.771 57.510 58.100 0.301 0.000 1.105 458 Y CB 0.460 39.022 38.460 0.169 0.000 1.188 458 Y HN 0.150 nan 8.280 nan 0.000 0.616 459 T N -2.475 112.098 114.554 0.031 0.000 2.923 459 T HA 0.617 4.967 4.350 -0.000 0.000 0.311 459 T C 0.369 174.588 174.700 -0.803 0.000 1.183 459 T CA -0.538 61.368 62.100 -0.322 0.000 1.020 459 T CB 1.359 70.047 68.868 -0.300 0.000 1.165 459 T HN 0.331 nan 8.240 nan 0.000 0.482 460 G N 1.716 109.718 108.800 -1.330 0.000 2.690 460 G HA2 0.486 4.446 3.960 -0.000 0.000 0.239 460 G HA3 0.486 4.446 3.960 -0.000 0.000 0.239 460 G C -0.505 174.195 174.900 -0.333 0.000 1.233 460 G CA -0.332 44.050 45.100 -1.196 0.000 0.847 460 G HN 0.746 nan 8.290 nan 0.000 0.588 461 K N -0.511 119.797 120.400 -0.153 0.000 2.433 461 K HA 0.352 4.671 4.320 -0.000 0.000 0.252 461 K C -0.016 176.657 176.600 0.122 0.000 1.015 461 K CA -1.060 55.257 56.287 0.050 0.000 0.860 461 K CB 1.979 34.492 32.500 0.021 0.000 1.359 461 K HN 0.608 nan 8.250 nan 0.000 0.452 462 R N 0.646 121.217 120.500 0.117 0.000 2.537 462 R HA 0.135 4.475 4.340 -0.000 0.000 0.280 462 R C -0.571 175.775 176.300 0.077 0.000 1.058 462 R CA 0.239 56.398 56.100 0.098 0.000 1.057 462 R CB 0.417 30.622 30.300 -0.157 0.000 0.973 462 R HN 0.441 nan 8.270 nan 0.000 0.438 463 S N 6.557 122.364 115.700 0.178 0.000 2.489 463 S HA 0.267 4.737 4.470 -0.000 0.000 0.277 463 S C -2.240 172.493 174.600 0.222 0.000 1.230 463 S CA -1.151 57.184 58.200 0.225 0.000 1.053 463 S CB 1.407 64.831 63.200 0.374 0.000 0.955 463 S HN 0.564 nan 8.310 nan 0.000 0.488 464 P HA 0.199 nan 4.420 nan 0.000 0.268 464 P C -0.978 176.398 177.300 0.128 0.000 1.205 464 P CA -0.169 62.877 63.100 -0.090 0.000 0.771 464 P CB 0.258 31.819 31.700 -0.232 0.000 0.858 465 F N 1.872 121.632 119.950 -0.317 0.000 2.444 465 F HA 0.350 4.877 4.527 -0.000 0.000 0.342 465 F C -0.273 175.493 175.800 -0.056 0.000 1.121 465 F CA -0.211 57.775 58.000 -0.023 0.000 0.997 465 F CB 0.963 39.965 39.000 0.004 0.000 1.130 465 F HN 0.268 nan 8.300 nan 0.000 0.454 466 W N 2.852 124.320 121.300 0.279 0.000 2.314 466 W HA 0.588 5.247 4.660 -0.000 0.000 0.310 466 W C -0.522 176.190 176.519 0.322 0.000 1.075 466 W CA -0.563 56.974 57.345 0.319 0.000 1.253 466 W CB 1.594 31.211 29.460 0.262 0.000 1.238 466 W HN 0.263 nan 8.180 nan 0.000 0.440 467 T N 2.331 117.201 114.554 0.527 0.000 2.848 467 T HA 0.567 4.917 4.350 -0.000 0.000 0.285 467 T C -0.555 174.381 174.700 0.394 0.000 0.995 467 T CA -0.720 61.655 62.100 0.458 0.000 0.970 467 T CB 1.626 70.735 68.868 0.402 0.000 0.976 467 T HN 0.100 nan 8.240 nan 0.000 0.441 468 T N 4.562 119.297 114.554 0.302 0.000 2.847 468 T HA 0.676 5.026 4.350 -0.000 0.000 0.291 468 T C -0.230 174.560 174.700 0.150 0.000 0.998 468 T CA -0.743 61.479 62.100 0.202 0.000 0.967 468 T CB 0.488 69.436 68.868 0.134 0.000 0.954 468 T HN 0.732 nan 8.240 nan 0.000 0.441 469 M N 2.002 121.669 119.600 0.112 0.000 2.716 469 M HA 0.842 5.322 4.480 -0.000 0.000 0.278 469 M C -1.536 174.714 176.300 -0.085 0.000 1.281 469 M CA -1.262 54.034 55.300 -0.007 0.000 0.814 469 M CB 2.657 35.222 32.600 -0.058 0.000 1.719 469 M HN 0.512 nan 8.290 nan 0.000 0.457 470 R N 0.032 120.425 120.500 -0.178 0.000 2.634 470 R HA 0.603 4.943 4.340 -0.000 0.000 0.263 470 R C -2.406 173.920 176.300 0.043 0.000 1.060 470 R CA -0.880 55.159 56.100 -0.103 0.000 0.898 470 R CB 0.945 31.232 30.300 -0.022 0.000 1.253 470 R HN 0.733 nan 8.270 nan 0.000 0.461 471 Y N 0.517 120.976 120.300 0.265 0.000 2.420 471 Y HA 0.731 5.281 4.550 -0.000 0.000 0.334 471 Y C 0.017 176.015 175.900 0.162 0.000 1.094 471 Y CA -0.812 57.410 58.100 0.203 0.000 1.126 471 Y CB 2.520 40.999 38.460 0.031 0.000 1.217 471 Y HN 0.858 nan 8.280 nan 0.000 0.462 472 A N 1.715 124.566 122.820 0.051 0.000 2.340 472 A HA 0.875 5.194 4.320 -0.000 0.000 0.297 472 A C -0.867 176.633 177.584 -0.141 0.000 1.195 472 A CA -0.360 51.514 52.037 -0.270 0.000 0.769 472 A CB 0.121 18.552 19.000 -0.949 0.000 1.163 472 A HN 0.816 nan 8.150 nan 0.000 0.472 473 A N 2.473 125.247 122.820 -0.076 0.000 2.386 473 A HA 0.833 5.152 4.320 -0.000 0.000 0.308 473 A C -0.386 177.169 177.584 -0.049 0.000 1.128 473 A CA -0.453 51.537 52.037 -0.078 0.000 0.789 473 A CB 0.847 19.789 19.000 -0.097 0.000 1.325 473 A HN 0.898 nan 8.150 nan 0.000 0.437 474 D N -0.436 119.937 120.400 -0.044 0.000 2.451 474 D HA 0.225 4.865 4.640 -0.000 0.000 0.259 474 D C 0.883 177.164 176.300 -0.031 0.000 1.201 474 D CA -0.666 53.318 54.000 -0.026 0.000 1.028 474 D CB 0.495 41.286 40.800 -0.016 0.000 1.095 474 D HN 0.294 nan 8.370 nan 0.000 0.539 475 R N -0.670 119.817 120.500 -0.022 0.000 2.193 475 R HA -0.095 4.244 4.340 -0.000 0.000 0.229 475 R C 1.594 177.878 176.300 -0.027 0.000 1.110 475 R CA 1.132 57.220 56.100 -0.020 0.000 0.988 475 R CB -0.193 30.099 30.300 -0.013 0.000 0.871 475 R HN 0.610 nan 8.270 nan 0.000 0.458 476 Q N -1.460 118.320 119.800 -0.032 0.000 2.432 476 Q HA 0.037 4.377 4.340 -0.000 0.000 0.205 476 Q C 0.707 176.673 176.000 -0.056 0.000 0.945 476 Q CA 0.808 56.588 55.803 -0.038 0.000 0.924 476 Q CB 0.574 29.292 28.738 -0.035 0.000 1.016 476 Q HN 0.587 nan 8.270 nan 0.000 0.503 477 G N 1.680 110.439 108.800 -0.068 0.000 2.184 477 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.206 477 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.206 477 G C 0.069 174.891 174.900 -0.130 0.000 0.995 477 G CA -0.129 44.911 45.100 -0.100 0.000 0.651 477 G HN 0.196 nan 8.290 nan 0.000 0.511 478 K N 1.270 121.607 120.400 -0.106 0.000 2.349 478 K HA 0.514 4.833 4.320 -0.000 0.000 0.288 478 K C 0.578 177.100 176.600 -0.130 0.000 1.058 478 K CA -0.650 55.568 56.287 -0.116 0.000 0.953 478 K CB 0.095 32.548 32.500 -0.079 0.000 0.997 478 K HN 0.260 nan 8.250 nan 0.000 0.477 479 I N 6.900 127.364 120.570 -0.177 0.000 2.517 479 I HA -0.075 4.095 4.170 -0.000 0.000 0.285 479 I C 1.007 177.035 176.117 -0.149 0.000 1.106 479 I CA 0.036 61.225 61.300 -0.185 0.000 1.402 479 I CB 0.648 38.479 38.000 -0.281 0.000 1.399 479 I HN 0.672 nan 8.210 nan 0.000 0.535 480 L N 6.295 127.412 121.223 -0.178 0.000 2.537 480 L HA 0.470 4.809 4.340 -0.000 0.000 0.224 480 L C 0.739 177.302 176.870 -0.512 0.000 1.065 480 L CA 0.096 54.758 54.840 -0.297 0.000 0.860 480 L CB -0.077 41.845 42.059 -0.229 0.000 1.086 480 L HN 0.692 nan 8.230 nan 0.000 0.482 481 A N 0.261 122.862 122.820 -0.365 0.000 2.609 481 A HA 0.780 5.099 4.320 -0.000 0.000 0.291 481 A C -1.382 176.291 177.584 0.149 0.000 1.096 481 A CA -0.375 51.520 52.037 -0.238 0.000 0.684 481 A CB 2.261 21.015 19.000 -0.410 0.000 1.282 481 A HN 0.004 nan 8.150 nan 0.000 0.412 482 M N 1.040 120.826 119.600 0.309 0.000 2.284 482 M HA 0.433 4.913 4.480 -0.000 0.000 0.281 482 M C -1.955 174.477 176.300 0.221 0.000 1.083 482 M CA 0.006 55.517 55.300 0.351 0.000 0.965 482 M CB 1.920 34.672 32.600 0.252 0.000 1.717 482 M HN 0.804 nan 8.290 nan 0.000 0.479 483 E N 2.664 122.896 120.200 0.054 0.000 2.187 483 E HA 0.600 4.950 4.350 -0.000 0.000 0.268 483 E C -1.000 175.577 176.600 -0.038 0.000 0.896 483 E CA -0.610 55.748 56.400 -0.069 0.000 0.766 483 E CB 2.457 31.950 29.700 -0.344 0.000 1.142 483 E HN 0.690 nan 8.360 nan 0.000 0.408 484 T N -0.357 114.239 114.554 0.070 0.000 2.900 484 T HA 0.476 4.826 4.350 -0.000 0.000 0.295 484 T C -1.012 173.870 174.700 0.304 0.000 1.044 484 T CA -0.959 61.239 62.100 0.163 0.000 0.995 484 T CB 2.147 71.116 68.868 0.168 0.000 1.072 484 T HN 0.360 nan 8.240 nan 0.000 0.473 485 D N 1.438 122.052 120.400 0.357 0.000 2.964 485 D HA 0.462 5.102 4.640 -0.000 0.000 0.234 485 D C -1.635 174.955 176.300 0.483 0.000 1.223 485 D CA -0.517 53.669 54.000 0.310 0.000 0.889 485 D CB 2.117 42.983 40.800 0.109 0.000 1.609 485 D HN 0.837 nan 8.370 nan 0.000 0.523 486 W N 1.750 123.092 121.300 0.070 0.000 3.127 486 W HA 0.669 5.329 4.660 -0.000 0.000 0.330 486 W C -1.835 174.686 176.519 0.002 0.000 1.187 486 W CA -0.850 56.552 57.345 0.094 0.000 1.198 486 W CB 1.160 30.711 29.460 0.151 0.000 1.408 486 W HN 0.078 nan 8.180 nan 0.000 0.529 487 S N 1.981 117.766 115.700 0.142 0.000 2.605 487 S HA 0.521 4.990 4.470 -0.000 0.000 0.308 487 S C -1.108 173.497 174.600 0.009 0.000 1.113 487 S CA -0.737 57.454 58.200 -0.015 0.000 1.049 487 S CB 1.572 64.769 63.200 -0.005 0.000 1.001 487 S HN 0.410 nan 8.310 nan 0.000 0.480 488 V N 3.561 123.375 119.914 -0.167 0.000 2.348 488 V HA 0.232 4.352 4.120 -0.000 0.000 0.270 488 V C 0.041 176.182 176.094 0.079 0.000 1.037 488 V CA -0.764 61.414 62.300 -0.202 0.000 0.872 488 V CB 1.080 32.718 31.823 -0.309 0.000 1.002 488 V HN 0.807 nan 8.190 nan 0.000 0.464 489 D N 3.587 124.121 120.400 0.222 0.000 2.344 489 D HA 0.020 4.660 4.640 -0.000 0.000 0.253 489 D C 0.667 177.155 176.300 0.314 0.000 1.255 489 D CA 0.233 54.406 54.000 0.288 0.000 0.894 489 D CB 0.374 41.403 40.800 0.380 0.000 1.067 489 D HN 0.654 nan 8.370 nan 0.000 0.492 490 H N 3.196 122.402 119.070 0.225 0.000 2.542 490 H HA 0.260 4.815 4.556 -0.000 0.000 0.283 490 H C 0.977 176.490 175.328 0.310 0.000 1.059 490 H CA 0.518 56.732 56.048 0.277 0.000 1.162 490 H CB 0.367 30.314 29.762 0.307 0.000 1.539 490 H HN 0.714 nan 8.280 nan 0.000 0.543 491 G N 1.667 110.623 108.800 0.259 0.000 2.698 491 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.233 491 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.233 491 G C -1.709 173.287 174.900 0.160 0.000 1.352 491 G CA -0.037 45.195 45.100 0.221 0.000 0.879 491 G HN 0.261 nan 8.290 nan 0.000 0.567 492 P HA 0.125 nan 4.420 nan 0.000 0.235 492 P C -0.157 177.017 177.300 -0.210 0.000 1.177 492 P CA 1.016 63.985 63.100 -0.218 0.000 0.785 492 P CB 0.230 31.641 31.700 -0.482 0.000 0.885 493 Y N 0.884 121.253 120.300 0.116 0.000 2.342 493 Y HA 0.230 4.779 4.550 -0.000 0.000 0.338 493 Y C 1.877 177.900 175.900 0.204 0.000 0.965 493 Y CA -1.266 56.815 58.100 -0.031 0.000 1.159 493 Y CB 0.793 39.052 38.460 -0.334 0.000 1.157 493 Y HN -0.085 nan 8.280 nan 0.000 0.486 494 S N 0.558 116.343 115.700 0.143 0.000 2.515 494 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 494 S C 0.296 174.913 174.600 0.028 0.000 0.987 494 S CA -0.045 58.194 58.200 0.065 0.000 0.936 494 S CB -0.739 62.248 63.200 -0.355 0.000 0.766 494 S HN 0.745 nan 8.310 nan 0.000 0.528 495 E N 1.441 121.633 120.200 -0.014 0.000 2.868 495 E HA -0.146 4.204 4.350 -0.000 0.000 0.246 495 E C -0.516 175.974 176.600 -0.183 0.000 0.962 495 E CA 0.204 56.388 56.400 -0.360 0.000 0.955 495 E CB -0.700 28.750 29.700 -0.417 0.000 0.903 495 E HN 0.443 nan 8.360 nan 0.000 0.524 496 F N 1.501 121.515 119.950 0.107 0.000 2.825 496 F HA -0.251 4.276 4.527 -0.000 0.000 0.358 496 F C 1.771 177.593 175.800 0.037 0.000 0.639 496 F CA 0.968 59.047 58.000 0.133 0.000 1.153 496 F CB -1.952 37.235 39.000 0.312 0.000 1.610 496 F HN 0.665 nan 8.300 nan 0.000 0.305 497 G N 0.871 109.595 108.800 -0.127 0.000 2.440 497 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.218 497 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.218 497 G C 1.263 175.992 174.900 -0.284 0.000 1.154 497 G CA 1.386 46.185 45.100 -0.501 0.000 0.767 497 G HN 0.540 nan 8.290 nan 0.000 0.552 498 D N 0.562 120.696 120.400 -0.444 0.000 2.144 498 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 498 D C 2.213 178.124 176.300 -0.649 0.000 0.978 498 D CA 0.544 54.033 54.000 -0.851 0.000 0.833 498 D CB -0.669 39.172 40.800 -1.598 0.000 0.961 498 D HN 0.270 nan 8.370 nan 0.000 0.470 499 L N -0.135 120.774 121.223 -0.523 0.000 2.046 499 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 499 L C 2.065 179.028 176.870 0.156 0.000 1.077 499 L CA 1.251 56.084 54.840 -0.011 0.000 0.747 499 L CB -0.878 41.331 42.059 0.251 0.000 0.896 499 L HN 0.168 nan 8.230 nan 0.000 0.432 500 L N -0.981 120.303 121.223 0.101 0.000 2.046 500 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 500 L C 2.270 179.269 176.870 0.214 0.000 1.077 500 L CA 2.370 57.202 54.840 -0.015 0.000 0.747 500 L CB -1.152 40.976 42.059 0.116 0.000 0.896 500 L HN 0.320 nan 8.230 nan 0.000 0.432 501 T N -0.088 114.610 114.554 0.240 0.000 2.788 501 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 501 T C 1.791 176.866 174.700 0.625 0.000 1.044 501 T CA 1.567 63.934 62.100 0.446 0.000 1.139 501 T CB -0.400 68.684 68.868 0.360 0.000 0.867 501 T HN 0.334 nan 8.240 nan 0.000 0.454 502 L N 1.445 122.974 121.223 0.509 0.000 2.083 502 L HA 0.022 4.362 4.340 -0.000 0.000 0.209 502 L C 2.292 179.400 176.870 0.398 0.000 1.083 502 L CA 1.613 56.762 54.840 0.514 0.000 0.752 502 L CB -0.498 41.875 42.059 0.524 0.000 0.899 502 L HN -0.056 nan 8.230 nan 0.000 0.433 503 R N 0.173 120.882 120.500 0.348 0.000 2.211 503 R HA -0.104 4.236 4.340 -0.000 0.000 0.240 503 R C 2.094 178.549 176.300 0.259 0.000 1.144 503 R CA 1.098 57.400 56.100 0.337 0.000 0.992 503 R CB -1.333 29.084 30.300 0.195 0.000 0.869 503 R HN 0.613 nan 8.270 nan 0.000 0.462 504 G N 0.025 108.911 108.800 0.144 0.000 2.408 504 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.215 504 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.215 504 G C 1.518 176.059 174.900 -0.597 0.000 1.156 504 G CA 0.574 45.420 45.100 -0.424 0.000 0.793 504 G HN 0.394 nan 8.290 nan 0.000 0.535 505 A N 0.413 123.145 122.820 -0.146 0.000 2.015 505 A HA 0.016 4.336 4.320 -0.000 0.000 0.219 505 A C 2.283 179.843 177.584 -0.040 0.000 1.163 505 A CA 1.628 53.672 52.037 0.012 0.000 0.646 505 A CB -0.208 18.984 19.000 0.321 0.000 0.806 505 A HN 0.465 nan 8.150 nan 0.000 0.448 506 Q N -2.260 117.502 119.800 -0.064 0.000 2.250 506 Q HA -0.010 4.330 4.340 -0.000 0.000 0.200 506 Q C 1.101 176.805 176.000 -0.492 0.000 0.941 506 Q CA 1.261 56.902 55.803 -0.269 0.000 0.872 506 Q CB -0.062 28.476 28.738 -0.333 0.000 0.965 506 Q HN 0.867 nan 8.270 nan 0.000 0.480 507 Y N -0.174 120.132 120.300 0.010 0.000 2.442 507 Y HA 0.260 4.810 4.550 -0.000 0.000 0.250 507 Y C 0.570 176.440 175.900 -0.051 0.000 1.113 507 Y CA -0.528 57.573 58.100 0.002 0.000 1.273 507 Y CB 0.859 39.341 38.460 0.037 0.000 1.138 507 Y HN -0.068 nan 8.280 nan 0.000 0.522 508 I N 1.220 121.772 120.570 -0.029 0.000 2.578 508 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 508 I C 1.233 177.375 176.117 0.042 0.000 1.126 508 I CA 1.012 62.283 61.300 -0.048 0.000 1.380 508 I CB -0.053 37.854 38.000 -0.155 0.000 1.408 508 I HN 0.528 nan 8.210 nan 0.000 0.532 509 G N 4.336 113.207 108.800 0.120 0.000 2.175 509 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 509 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 509 G C 0.457 175.482 174.900 0.208 0.000 0.982 509 G CA -0.118 45.140 45.100 0.263 0.000 0.641 509 G HN 0.946 nan 8.290 nan 0.000 0.527 510 A N -0.349 122.534 122.820 0.104 0.000 2.531 510 A HA 0.629 4.949 4.320 -0.000 0.000 0.236 510 A C 2.005 179.435 177.584 -0.255 0.000 1.062 510 A CA 2.208 54.271 52.037 0.043 0.000 0.760 510 A CB 0.064 19.167 19.000 0.171 0.000 0.995 510 A HN 2.395 nan 8.150 nan 0.000 0.501 511 G N 0.083 108.586 108.800 -0.495 0.000 2.218 511 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 511 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 511 G C -0.076 173.838 174.900 -1.644 0.000 0.994 511 G CA 0.332 44.746 45.100 -1.143 0.000 0.637 511 G HN 0.926 nan 8.290 nan 0.000 0.505 512 Y N 0.214 120.143 120.300 -0.619 0.000 2.468 512 Y HA 0.583 5.133 4.550 -0.000 0.000 0.342 512 Y C 0.946 176.790 175.900 -0.095 0.000 1.021 512 Y CA -0.570 57.298 58.100 -0.387 0.000 1.079 512 Y CB 1.989 40.309 38.460 -0.233 0.000 1.226 512 Y HN 0.230 nan 8.280 nan 0.000 0.460 513 G N 3.447 112.336 108.800 0.148 0.000 2.621 513 G HA2 0.434 4.394 3.960 -0.000 0.000 0.306 513 G HA3 0.434 4.394 3.960 -0.000 0.000 0.306 513 G C -0.597 174.361 174.900 0.096 0.000 0.893 513 G CA -0.267 44.952 45.100 0.198 0.000 1.486 513 G HN 0.556 nan 8.290 nan 0.000 0.477 514 I N 2.722 123.356 120.570 0.107 0.000 2.371 514 I HA 0.172 4.342 4.170 -0.000 0.000 0.282 514 I C 1.458 177.585 176.117 0.016 0.000 1.031 514 I CA -0.775 60.550 61.300 0.043 0.000 1.180 514 I CB 1.748 39.798 38.000 0.084 0.000 1.336 514 I HN 0.474 nan 8.210 nan 0.000 0.467 515 A N 5.990 128.790 122.820 -0.033 0.000 1.940 515 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 515 A C 0.811 178.365 177.584 -0.050 0.000 1.176 515 A CA 1.402 53.415 52.037 -0.040 0.000 0.631 515 A CB -0.243 18.724 19.000 -0.055 0.000 0.814 515 A HN 0.733 nan 8.150 nan 0.000 0.446 516 N N -0.597 118.041 118.700 -0.104 0.000 2.346 516 N HA 0.603 5.343 4.740 -0.000 0.000 0.289 516 N C -1.402 174.099 175.510 -0.015 0.000 1.027 516 N CA -0.143 52.860 53.050 -0.079 0.000 0.864 516 N CB 1.977 40.353 38.487 -0.186 0.000 1.370 516 N HN 0.230 nan 8.380 nan 0.000 0.481 517 I N 1.433 122.029 120.570 0.044 0.000 2.619 517 I HA 0.422 4.592 4.170 -0.000 0.000 0.292 517 I C -0.570 175.605 176.117 0.097 0.000 1.100 517 I CA -0.758 60.593 61.300 0.085 0.000 1.043 517 I CB 2.184 40.235 38.000 0.085 0.000 1.239 517 I HN 0.094 nan 8.210 nan 0.000 0.420 518 R N 3.681 124.248 120.500 0.111 0.000 2.502 518 R HA 0.734 5.073 4.340 -0.000 0.000 0.298 518 R C -0.643 175.722 176.300 0.110 0.000 1.018 518 R CA -0.777 55.383 56.100 0.100 0.000 0.899 518 R CB 2.057 32.410 30.300 0.088 0.000 1.181 518 R HN 0.927 nan 8.270 nan 0.000 0.444 519 G N 0.191 109.081 108.800 0.149 0.000 2.672 519 G HA2 0.596 4.556 3.960 -0.000 0.000 0.292 519 G HA3 0.596 4.556 3.960 -0.000 0.000 0.292 519 G C -1.206 173.775 174.900 0.134 0.000 1.375 519 G CA -0.508 44.730 45.100 0.229 0.000 0.890 519 G HN 0.369 nan 8.290 nan 0.000 0.476 520 T N -1.620 112.930 114.554 -0.007 0.000 2.881 520 T HA 0.726 5.076 4.350 -0.000 0.000 0.291 520 T C 0.233 174.386 174.700 -0.911 0.000 0.990 520 T CA -0.243 61.667 62.100 -0.316 0.000 0.976 520 T CB 1.659 70.400 68.868 -0.212 0.000 0.970 520 T HN 1.065 nan 8.240 nan 0.000 0.438 521 G N 1.505 109.501 108.800 -1.340 0.000 2.491 521 G HA2 0.779 4.738 3.960 -0.000 0.000 0.327 521 G HA3 0.779 4.738 3.960 -0.000 0.000 0.327 521 G C -1.040 173.270 174.900 -0.984 0.000 1.189 521 G CA -1.160 42.700 45.100 -2.066 0.000 0.956 521 G HN 0.866 nan 8.290 nan 0.000 0.491 522 R N -0.743 119.273 120.500 -0.807 0.000 2.563 522 R HA 0.403 4.743 4.340 -0.000 0.000 0.262 522 R C -1.391 174.724 176.300 -0.309 0.000 1.128 522 R CA -0.477 55.354 56.100 -0.449 0.000 0.969 522 R CB 1.806 31.876 30.300 -0.383 0.000 1.251 522 R HN 0.608 nan 8.270 nan 0.000 0.442 523 T N 2.381 116.756 114.554 -0.300 0.000 2.756 523 T HA 0.354 4.704 4.350 -0.000 0.000 0.290 523 T C -0.733 173.700 174.700 -0.445 0.000 0.985 523 T CA -0.645 61.228 62.100 -0.378 0.000 0.955 523 T CB 1.463 69.969 68.868 -0.605 0.000 0.930 523 T HN 0.270 nan 8.240 nan 0.000 0.451 524 V N 2.609 122.431 119.914 -0.155 0.000 2.495 524 V HA 0.841 4.960 4.120 -0.000 0.000 0.298 524 V C -0.184 176.029 176.094 0.199 0.000 1.031 524 V CA -0.966 61.327 62.300 -0.012 0.000 0.871 524 V CB 1.042 32.850 31.823 -0.025 0.000 0.988 524 V HN 1.103 nan 8.190 nan 0.000 0.432 525 A N 5.107 128.108 122.820 0.302 0.000 2.362 525 A HA 0.759 5.078 4.320 -0.000 0.000 0.276 525 A C 0.466 178.165 177.584 0.192 0.000 1.153 525 A CA 0.399 52.627 52.037 0.320 0.000 0.813 525 A CB 0.272 19.459 19.000 0.311 0.000 1.081 525 A HN 1.480 nan 8.150 nan 0.000 0.507 526 T N -0.745 113.927 114.554 0.197 0.000 2.831 526 T HA 0.404 4.754 4.350 -0.000 0.000 0.287 526 T C 0.244 175.037 174.700 0.156 0.000 1.070 526 T CA -0.612 61.605 62.100 0.195 0.000 1.010 526 T CB 1.073 70.090 68.868 0.248 0.000 1.264 526 T HN 0.443 nan 8.240 nan 0.000 0.532 527 N N -1.162 117.638 118.700 0.166 0.000 2.270 527 N HA 0.170 4.910 4.740 -0.000 0.000 0.198 527 N C 0.112 175.712 175.510 0.149 0.000 1.117 527 N CA -0.161 52.944 53.050 0.092 0.000 0.845 527 N CB 0.015 38.520 38.487 0.030 0.000 0.980 527 N HN 0.577 nan 8.380 nan 0.000 0.486 528 H N -0.597 118.575 119.070 0.170 0.000 2.505 528 H HA 0.269 4.824 4.556 -0.000 0.000 0.358 528 H C 0.044 175.530 175.328 0.263 0.000 1.304 528 H CA -0.760 55.416 56.048 0.213 0.000 1.393 528 H CB 0.784 30.673 29.762 0.213 0.000 1.591 528 H HN 0.021 nan 8.280 nan 0.000 0.595 529 C N 4.056 123.762 119.300 0.676 0.000 2.465 529 C HA -0.051 4.409 4.460 -0.000 0.000 0.402 529 C C 0.328 175.560 174.990 0.405 0.000 1.448 529 C CA -0.045 59.302 59.018 0.548 0.000 1.589 529 C CB -1.817 26.252 27.740 0.548 0.000 2.535 529 C HN 0.741 nan 8.230 nan 0.000 0.600 530 W N 5.578 126.966 121.300 0.147 0.000 2.123 530 W HA 0.482 5.142 4.660 -0.000 0.000 0.351 530 W C 0.367 176.877 176.519 -0.014 0.000 1.292 530 W CA -0.241 57.122 57.345 0.030 0.000 1.263 530 W CB 0.235 29.768 29.460 0.121 0.000 1.165 530 W HN 0.963 nan 8.180 nan 0.000 0.590 531 G N 1.906 110.530 108.800 -0.293 0.000 2.339 531 G HA2 0.578 4.538 3.960 -0.000 0.000 0.287 531 G HA3 0.578 4.538 3.960 -0.000 0.000 0.287 531 G C -1.273 173.580 174.900 -0.079 0.000 1.163 531 G CA -0.473 44.453 45.100 -0.290 0.000 0.872 531 G HN 0.939 nan 8.290 nan 0.000 0.464 532 A N 1.879 124.676 122.820 -0.037 0.000 2.355 532 A HA 0.876 5.196 4.320 -0.000 0.000 0.324 532 A C 0.572 178.318 177.584 0.270 0.000 1.117 532 A CA -0.104 52.000 52.037 0.112 0.000 0.785 532 A CB 1.239 20.182 19.000 -0.095 0.000 1.254 532 A HN 1.941 nan 8.150 nan 0.000 0.453 533 A N 0.769 123.716 122.820 0.212 0.000 2.587 533 A HA 0.408 4.728 4.320 -0.000 0.000 0.233 533 A C -0.567 177.195 177.584 0.298 0.000 1.049 533 A CA 0.706 52.789 52.037 0.076 0.000 0.754 533 A CB -0.326 18.324 19.000 -0.583 0.000 0.977 533 A HN 1.439 nan 8.150 nan 0.000 0.509 534 F N 2.069 122.114 119.950 0.158 0.000 2.557 534 F HA 0.426 4.952 4.527 -0.000 0.000 0.316 534 F C 0.517 176.311 175.800 -0.010 0.000 1.141 534 F CA -1.304 56.763 58.000 0.111 0.000 0.922 534 F CB 1.420 40.364 39.000 -0.092 0.000 1.194 534 F HN 0.759 nan 8.300 nan 0.000 0.443 535 R N 3.677 124.494 120.500 0.529 0.000 4.082 535 R HA 0.136 4.476 4.340 -0.000 0.000 0.210 535 R C 0.841 177.150 176.300 0.015 0.000 0.488 535 R CA 1.882 58.126 56.100 0.239 0.000 0.946 535 R CB -0.805 29.682 30.300 0.312 0.000 0.976 535 R HN 1.159 nan 8.270 nan 0.000 0.301 536 G N 3.283 111.964 108.800 -0.199 0.000 2.797 536 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.195 536 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.195 536 G C 0.015 174.531 174.900 -0.639 0.000 1.026 536 G CA -0.114 44.669 45.100 -0.527 0.000 0.759 536 G HN 0.764 nan 8.290 nan 0.000 0.475 537 Y N 1.314 121.392 120.300 -0.369 0.000 3.015 537 Y HA -0.051 4.499 4.550 -0.000 0.000 0.216 537 Y C 1.770 177.578 175.900 -0.153 0.000 1.134 537 Y CA 2.158 60.148 58.100 -0.184 0.000 0.783 537 Y CB -0.849 37.554 38.460 -0.095 0.000 1.133 537 Y HN 1.968 nan 8.280 nan 0.000 0.422 538 G N 0.028 108.581 108.800 -0.413 0.000 2.284 538 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.216 538 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.216 538 G C 0.942 175.581 174.900 -0.435 0.000 1.009 538 G CA 0.457 45.316 45.100 -0.402 0.000 0.625 538 G HN 1.358 nan 8.290 nan 0.000 0.501 539 A N 1.465 123.929 122.820 -0.594 0.000 1.854 539 A HA 0.397 4.717 4.320 -0.000 0.000 0.214 539 A C 0.494 177.865 177.584 -0.354 0.000 1.192 539 A CA 2.471 54.189 52.037 -0.531 0.000 0.611 539 A CB -1.056 17.473 19.000 -0.785 0.000 0.832 539 A HN 0.414 nan 8.150 nan 0.000 0.442 540 P HA -0.194 nan 4.420 nan 0.000 0.216 540 P C 1.146 178.365 177.300 -0.134 0.000 1.150 540 P CA 1.555 64.545 63.100 -0.184 0.000 0.837 540 P CB -0.088 31.327 31.700 -0.476 0.000 0.786 541 E N -1.100 118.828 120.200 -0.453 0.000 2.299 541 E HA 0.010 4.360 4.350 -0.000 0.000 0.193 541 E C 1.535 177.862 176.600 -0.456 0.000 0.998 541 E CA 0.995 57.028 56.400 -0.612 0.000 0.851 541 E CB -0.830 28.072 29.700 -1.330 0.000 0.795 541 E HN 0.182 nan 8.360 nan 0.000 0.492 542 S N 1.203 116.673 115.700 -0.383 0.000 2.427 542 S HA 0.023 4.493 4.470 -0.000 0.000 0.224 542 S C 1.687 176.217 174.600 -0.117 0.000 1.047 542 S CA 0.431 58.508 58.200 -0.206 0.000 0.953 542 S CB 0.108 63.218 63.200 -0.150 0.000 0.824 542 S HN 0.280 nan 8.310 nan 0.000 0.502 543 E N 0.400 120.540 120.200 -0.099 0.000 2.435 543 E HA 0.052 4.402 4.350 -0.000 0.000 0.195 543 E C 1.374 177.881 176.600 -0.155 0.000 1.029 543 E CA 0.138 56.488 56.400 -0.082 0.000 0.865 543 E CB -0.066 29.605 29.700 -0.047 0.000 0.833 543 E HN 0.472 nan 8.360 nan 0.000 0.510 544 F N 3.142 122.916 119.950 -0.293 0.000 2.060 544 F HA -0.069 4.457 4.527 -0.000 0.000 0.295 544 F C -0.972 174.589 175.800 -0.399 0.000 1.120 544 F CA 0.962 58.731 58.000 -0.385 0.000 1.205 544 F CB -0.968 37.861 39.000 -0.285 0.000 0.986 544 F HN -0.051 nan 8.300 nan 0.000 0.470 545 P HA -0.196 nan 4.420 nan 0.000 0.215 545 P C 1.865 178.628 177.300 -0.895 0.000 1.157 545 P CA 2.676 65.123 63.100 -1.088 0.000 0.868 545 P CB -0.470 30.965 31.700 -0.442 0.000 0.788 546 S N -0.581 114.871 115.700 -0.414 0.000 2.402 546 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 546 S C 1.911 176.478 174.600 -0.055 0.000 1.021 546 S CA 0.882 58.986 58.200 -0.159 0.000 0.974 546 S CB -0.896 62.322 63.200 0.030 0.000 0.800 546 S HN 0.044 nan 8.310 nan 0.000 0.484 547 E N 0.978 121.067 120.200 -0.186 0.000 2.216 547 E HA 0.091 4.441 4.350 -0.000 0.000 0.192 547 E C 2.233 178.693 176.600 -0.234 0.000 0.988 547 E CA 0.614 56.933 56.400 -0.135 0.000 0.834 547 E CB -0.283 29.338 29.700 -0.130 0.000 0.772 547 E HN 0.490 nan 8.360 nan 0.000 0.479 548 V N 1.180 120.806 119.914 -0.480 0.000 2.407 548 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 548 V C 2.374 178.346 176.094 -0.204 0.000 1.041 548 V CA 0.892 62.944 62.300 -0.414 0.000 1.040 548 V CB -0.377 31.053 31.823 -0.655 0.000 0.671 548 V HN 0.156 nan 8.190 nan 0.000 0.455 549 L N -0.227 120.861 121.223 -0.225 0.000 2.131 549 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 549 L C 2.271 179.225 176.870 0.141 0.000 1.092 549 L CA 2.102 56.967 54.840 0.043 0.000 0.759 549 L CB -0.627 41.423 42.059 -0.015 0.000 0.903 549 L HN 0.346 nan 8.230 nan 0.000 0.435 550 M N -0.457 119.214 119.600 0.118 0.000 2.108 550 M HA -0.227 4.252 4.480 -0.000 0.000 0.261 550 M C 1.668 177.920 176.300 -0.081 0.000 1.066 550 M CA 1.889 57.160 55.300 -0.049 0.000 1.107 550 M CB -0.646 31.859 32.600 -0.158 0.000 1.356 550 M HN 0.250 nan 8.290 nan 0.000 0.406 551 D N -0.305 120.057 120.400 -0.062 0.000 2.183 551 D HA -0.106 4.534 4.640 -0.000 0.000 0.203 551 D C 1.864 178.122 176.300 -0.071 0.000 0.969 551 D CA 1.138 55.104 54.000 -0.056 0.000 0.842 551 D CB -0.045 40.725 40.800 -0.049 0.000 0.957 551 D HN 0.557 nan 8.370 nan 0.000 0.484 552 E N -0.347 119.815 120.200 -0.064 0.000 2.106 552 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 552 E C 1.860 178.453 176.600 -0.012 0.000 0.984 552 E CA 0.304 56.667 56.400 -0.062 0.000 0.806 552 E CB 0.035 29.727 29.700 -0.014 0.000 0.750 552 E HN 0.170 nan 8.360 nan 0.000 0.458 553 L N 0.938 122.171 121.223 0.015 0.000 2.072 553 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 553 L C 2.196 179.048 176.870 -0.031 0.000 1.079 553 L CA 1.821 56.668 54.840 0.012 0.000 0.752 553 L CB -0.595 41.467 42.059 0.004 0.000 0.906 553 L HN 0.004 nan 8.230 nan 0.000 0.436 554 A N -0.630 122.159 122.820 -0.052 0.000 1.908 554 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 554 A C 2.338 179.919 177.584 -0.005 0.000 1.181 554 A CA 1.945 53.956 52.037 -0.042 0.000 0.627 554 A CB -0.749 18.230 19.000 -0.036 0.000 0.818 554 A HN 0.647 nan 8.150 nan 0.000 0.445 555 E N -0.476 119.726 120.200 0.003 0.000 2.150 555 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 555 E C 2.022 178.638 176.600 0.026 0.000 0.985 555 E CA 1.274 57.691 56.400 0.029 0.000 0.814 555 E CB -0.099 29.615 29.700 0.023 0.000 0.752 555 E HN 0.606 nan 8.360 nan 0.000 0.466 556 K N -0.269 120.140 120.400 0.014 0.000 2.155 556 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 556 K C 1.652 178.260 176.600 0.013 0.000 1.052 556 K CA 0.499 56.797 56.287 0.019 0.000 0.948 556 K CB 0.183 32.697 32.500 0.023 0.000 0.728 556 K HN 0.151 nan 8.250 nan 0.000 0.448 557 L N -0.347 120.876 121.223 0.001 0.000 2.418 557 L HA 0.118 4.458 4.340 -0.000 0.000 0.218 557 L C 1.275 178.146 176.870 0.002 0.000 1.125 557 L CA 1.528 56.364 54.840 -0.007 0.000 0.835 557 L CB -0.492 41.549 42.059 -0.029 0.000 0.953 557 L HN 0.485 nan 8.230 nan 0.000 0.454 558 G N -0.378 108.430 108.800 0.013 0.000 2.143 558 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.248 558 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.248 558 G C 0.386 175.301 174.900 0.024 0.000 0.991 558 G CA 0.495 45.609 45.100 0.024 0.000 0.689 558 G HN 0.315 nan 8.290 nan 0.000 0.522 559 M N -0.129 119.481 119.600 0.015 0.000 2.598 559 M HA 0.426 4.906 4.480 -0.000 0.000 0.317 559 M C 0.238 176.562 176.300 0.041 0.000 1.201 559 M CA -0.737 54.574 55.300 0.017 0.000 0.971 559 M CB 1.154 33.744 32.600 -0.016 0.000 1.657 559 M HN 0.200 nan 8.290 nan 0.000 0.470 560 D N 1.488 121.928 120.400 0.066 0.000 2.425 560 D HA 0.102 4.741 4.640 -0.000 0.000 0.247 560 D C -1.855 174.494 176.300 0.083 0.000 1.147 560 D CA -1.200 52.873 54.000 0.123 0.000 0.879 560 D CB 1.120 42.032 40.800 0.187 0.000 1.179 560 D HN 0.176 nan 8.370 nan 0.000 0.456 561 P HA -0.123 nan 4.420 nan 0.000 0.215 561 P C 0.959 178.262 177.300 0.004 0.000 1.153 561 P CA 0.777 63.904 63.100 0.046 0.000 0.853 561 P CB 0.004 31.765 31.700 0.101 0.000 0.788 562 F N 0.976 120.811 119.950 -0.192 0.000 2.113 562 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 562 F C 2.055 177.763 175.800 -0.154 0.000 1.103 562 F CA 1.477 59.298 58.000 -0.299 0.000 1.248 562 F CB -0.365 38.040 39.000 -0.991 0.000 0.999 562 F HN -0.224 nan 8.300 nan 0.000 0.475 563 E N 0.534 120.756 120.200 0.038 0.000 2.110 563 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 563 E C 2.186 178.663 176.600 -0.204 0.000 0.988 563 E CA 1.063 57.431 56.400 -0.054 0.000 0.804 563 E CB -0.923 28.819 29.700 0.070 0.000 0.745 563 E HN 0.439 nan 8.360 nan 0.000 0.458 564 L N 1.374 122.494 121.223 -0.170 0.000 2.012 564 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 564 L C 2.295 178.970 176.870 -0.325 0.000 1.073 564 L CA 1.777 56.486 54.840 -0.218 0.000 0.748 564 L CB -0.279 41.668 42.059 -0.187 0.000 0.891 564 L HN -0.065 nan 8.230 nan 0.000 0.431 565 R N -0.593 119.701 120.500 -0.343 0.000 2.083 565 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 565 R C 2.244 178.132 176.300 -0.686 0.000 1.137 565 R CA 1.386 57.286 56.100 -0.334 0.000 0.951 565 R CB -0.743 29.520 30.300 -0.062 0.000 0.851 565 R HN 0.547 nan 8.270 nan 0.000 0.434 566 A N 0.931 123.107 122.820 -1.074 0.000 2.024 566 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 566 A C 2.047 179.240 177.584 -0.651 0.000 1.164 566 A CA 1.178 52.440 52.037 -1.293 0.000 0.643 566 A CB -0.356 18.110 19.000 -0.890 0.000 0.806 566 A HN 0.274 nan 8.150 nan 0.000 0.451 567 L N -0.285 120.675 121.223 -0.438 0.000 2.131 567 L HA -0.003 4.337 4.340 -0.000 0.000 0.206 567 L C 1.722 178.453 176.870 -0.231 0.000 1.087 567 L CA 1.765 56.439 54.840 -0.276 0.000 0.767 567 L CB -0.299 41.630 42.059 -0.217 0.000 0.917 567 L HN 0.391 nan 8.230 nan 0.000 0.441 568 N N -0.739 117.817 118.700 -0.241 0.000 2.373 568 N HA 0.024 4.764 4.740 -0.000 0.000 0.181 568 N C 0.781 176.274 175.510 -0.028 0.000 1.082 568 N CA 0.586 53.551 53.050 -0.141 0.000 0.885 568 N CB 0.028 38.375 38.487 -0.233 0.000 0.977 568 N HN 0.480 nan 8.380 nan 0.000 0.462 569 C N 0.946 120.186 119.300 -0.100 0.000 2.746 569 C HA 0.071 4.531 4.460 -0.000 0.000 0.403 569 C C 0.909 175.820 174.990 -0.131 0.000 1.270 569 C CA -1.341 57.558 59.018 -0.198 0.000 1.978 569 C CB -1.388 26.208 27.740 -0.239 0.000 2.724 569 C HN 0.270 nan 8.230 nan 0.000 0.678 570 Y N 1.775 122.029 120.300 -0.077 0.000 2.811 570 Y HA 0.245 4.795 4.550 -0.000 0.000 0.334 570 Y C 1.407 177.260 175.900 -0.077 0.000 1.247 570 Y CA 0.346 58.400 58.100 -0.076 0.000 1.526 570 Y CB 0.324 38.727 38.460 -0.094 0.000 1.284 570 Y HN 0.649 nan 8.280 nan 0.000 0.586 571 R N 1.276 121.849 120.500 0.121 0.000 2.739 571 R HA 0.144 4.484 4.340 -0.000 0.000 0.271 571 R C -1.213 175.098 176.300 0.018 0.000 1.010 571 R CA -1.445 54.678 56.100 0.037 0.000 0.897 571 R CB 1.739 32.043 30.300 0.007 0.000 1.236 571 R HN 0.607 nan 8.270 nan 0.000 0.466 572 E N 0.313 120.512 120.200 -0.001 0.000 2.966 572 E HA -0.031 4.319 4.350 -0.000 0.000 0.254 572 E C 0.930 177.524 176.600 -0.010 0.000 0.923 572 E CA 2.378 58.772 56.400 -0.011 0.000 0.960 572 E CB -0.028 29.667 29.700 -0.009 0.000 0.901 572 E HN 0.751 nan 8.360 nan 0.000 0.525 573 G N 4.184 112.972 108.800 -0.020 0.000 2.424 573 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.207 573 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.207 573 G C -0.205 174.682 174.900 -0.022 0.000 1.061 573 G CA -0.098 44.992 45.100 -0.017 0.000 0.657 573 G HN 0.609 nan 8.290 nan 0.000 0.508 574 D N 2.145 122.538 120.400 -0.012 0.000 2.362 574 D HA 0.512 5.152 4.640 -0.000 0.000 0.242 574 D C 0.997 177.224 176.300 -0.121 0.000 1.132 574 D CA 1.346 55.342 54.000 -0.006 0.000 0.907 574 D CB 1.398 42.271 40.800 0.121 0.000 1.195 574 D HN 0.659 nan 8.370 nan 0.000 0.429 575 T N -2.906 111.571 114.554 -0.127 0.000 2.888 575 T HA 0.577 4.927 4.350 -0.000 0.000 0.288 575 T C 0.593 175.130 174.700 -0.271 0.000 1.063 575 T CA -0.811 61.154 62.100 -0.225 0.000 1.010 575 T CB 1.364 70.165 68.868 -0.112 0.000 1.214 575 T HN 0.383 nan 8.240 nan 0.000 0.533 576 T N -0.644 113.732 114.554 -0.295 0.000 2.889 576 T HA 0.294 4.643 4.350 -0.000 0.000 0.340 576 T C 1.273 175.966 174.700 -0.011 0.000 1.145 576 T CA 0.027 62.033 62.100 -0.157 0.000 0.986 576 T CB -0.418 68.327 68.868 -0.205 0.000 1.461 576 T HN 0.619 nan 8.240 nan 0.000 0.541 577 S N -0.328 115.375 115.700 0.005 0.000 2.593 577 S HA 0.152 4.621 4.470 -0.000 0.000 0.217 577 S C 1.590 176.187 174.600 -0.005 0.000 0.966 577 S CA -0.257 57.952 58.200 0.014 0.000 0.914 577 S CB -0.099 63.105 63.200 0.006 0.000 0.776 577 S HN 0.615 nan 8.310 nan 0.000 0.523 578 S N 0.441 116.126 115.700 -0.025 0.000 2.523 578 S HA 0.431 4.901 4.470 -0.000 0.000 0.217 578 S C 1.390 175.981 174.600 -0.016 0.000 0.996 578 S CA 0.314 58.506 58.200 -0.014 0.000 0.921 578 S CB 0.608 63.800 63.200 -0.014 0.000 0.829 578 S HN 0.718 nan 8.310 nan 0.000 0.495 579 G N 1.986 110.769 108.800 -0.028 0.000 2.132 579 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.234 579 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.234 579 G C -0.154 174.717 174.900 -0.049 0.000 0.989 579 G CA -0.009 45.072 45.100 -0.032 0.000 0.676 579 G HN 0.513 nan 8.290 nan 0.000 0.522 580 Q N 0.035 119.795 119.800 -0.065 0.000 2.243 580 Q HA 0.614 4.953 4.340 -0.000 0.000 0.252 580 Q C 0.593 176.517 176.000 -0.126 0.000 0.909 580 Q CA -0.904 54.862 55.803 -0.062 0.000 0.922 580 Q CB 0.593 29.326 28.738 -0.007 0.000 1.215 580 Q HN 0.421 nan 8.270 nan 0.000 0.427 581 I N 6.181 126.695 120.570 -0.093 0.000 2.533 581 I HA 0.110 4.280 4.170 -0.000 0.000 0.284 581 I C -1.944 174.093 176.117 -0.133 0.000 1.109 581 I CA -1.841 59.382 61.300 -0.127 0.000 1.412 581 I CB 0.632 38.591 38.000 -0.068 0.000 1.396 581 I HN 0.481 nan 8.210 nan 0.000 0.543 582 P HA 0.002 nan 4.420 nan 0.000 0.267 582 P C 0.070 177.369 177.300 -0.002 0.000 1.205 582 P CA -0.134 62.855 63.100 -0.184 0.000 0.765 582 P CB 0.501 32.010 31.700 -0.318 0.000 0.828 583 E N 1.928 122.213 120.200 0.142 0.000 2.401 583 E HA -0.043 4.307 4.350 -0.000 0.000 0.199 583 E C 0.641 177.313 176.600 0.119 0.000 1.023 583 E CA 0.589 57.083 56.400 0.157 0.000 0.859 583 E CB -0.679 29.160 29.700 0.233 0.000 0.780 583 E HN 0.259 nan 8.360 nan 0.000 0.523 584 V N -3.543 116.427 119.914 0.094 0.000 3.147 584 V HA 0.529 4.649 4.120 -0.000 0.000 0.306 584 V C -0.504 175.551 176.094 -0.064 0.000 1.209 584 V CA -1.105 61.211 62.300 0.027 0.000 1.023 584 V CB 2.128 33.982 31.823 0.052 0.000 1.059 584 V HN -0.039 nan 8.190 nan 0.000 0.435 585 M N 2.415 121.977 119.600 -0.065 0.000 3.101 585 M HA 0.280 4.760 4.480 -0.000 0.000 0.307 585 M C 0.743 176.997 176.300 -0.077 0.000 1.315 585 M CA 0.050 55.308 55.300 -0.070 0.000 0.734 585 M CB 0.189 32.772 32.600 -0.029 0.000 1.392 585 M HN 0.982 nan 8.290 nan 0.000 0.496 586 S N -1.556 114.060 115.700 -0.140 0.000 2.577 586 S HA 0.215 4.685 4.470 -0.000 0.000 0.219 586 S C 1.482 176.026 174.600 -0.092 0.000 0.962 586 S CA -0.263 57.880 58.200 -0.095 0.000 0.921 586 S CB 0.009 63.160 63.200 -0.081 0.000 0.789 586 S HN 0.529 nan 8.310 nan 0.000 0.497 587 L N 1.234 122.391 121.223 -0.109 0.000 2.017 587 L HA 0.001 4.340 4.340 -0.000 0.000 0.208 587 L C -0.684 176.285 176.870 0.165 0.000 1.073 587 L CA 1.367 56.205 54.840 -0.003 0.000 0.745 587 L CB -1.515 40.542 42.059 -0.003 0.000 0.894 587 L HN 0.242 nan 8.230 nan 0.000 0.432 588 P HA -0.221 nan 4.420 nan 0.000 0.216 588 P C 1.324 178.697 177.300 0.123 0.000 1.150 588 P CA 1.371 64.523 63.100 0.086 0.000 0.837 588 P CB 0.060 31.770 31.700 0.015 0.000 0.786 589 E N -0.975 119.269 120.200 0.073 0.000 2.150 589 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 589 E C 1.840 178.481 176.600 0.068 0.000 0.985 589 E CA 0.989 57.428 56.400 0.064 0.000 0.814 589 E CB -0.352 29.368 29.700 0.034 0.000 0.752 589 E HN 0.159 nan 8.360 nan 0.000 0.466 590 M N -0.561 119.062 119.600 0.039 0.000 2.156 590 M HA -0.071 4.409 4.480 -0.000 0.000 0.264 590 M C 1.744 178.019 176.300 -0.042 0.000 1.067 590 M CA 1.148 56.420 55.300 -0.047 0.000 1.131 590 M CB -0.134 32.372 32.600 -0.156 0.000 1.368 590 M HN 0.121 nan 8.290 nan 0.000 0.416 591 F N 0.945 120.892 119.950 -0.005 0.000 2.216 591 F HA -0.217 4.309 4.527 -0.000 0.000 0.300 591 F C 2.129 178.055 175.800 0.210 0.000 1.085 591 F CA 1.182 59.213 58.000 0.051 0.000 1.326 591 F CB -0.409 38.502 39.000 -0.148 0.000 1.027 591 F HN 0.172 nan 8.300 nan 0.000 0.497 592 D N 0.049 120.621 120.400 0.287 0.000 2.144 592 D HA -0.116 4.524 4.640 -0.000 0.000 0.200 592 D C 2.100 178.514 176.300 0.190 0.000 0.978 592 D CA 0.975 55.108 54.000 0.221 0.000 0.833 592 D CB -0.201 40.684 40.800 0.142 0.000 0.961 592 D HN 0.266 nan 8.370 nan 0.000 0.470 593 K N -0.002 120.492 120.400 0.157 0.000 2.155 593 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 593 K C 1.982 178.725 176.600 0.239 0.000 1.052 593 K CA 0.372 56.753 56.287 0.157 0.000 0.948 593 K CB -0.054 32.507 32.500 0.102 0.000 0.728 593 K HN 0.094 nan 8.250 nan 0.000 0.448 594 M N 1.245 120.973 119.600 0.213 0.000 2.236 594 M HA -0.062 4.418 4.480 -0.000 0.000 0.266 594 M C 2.075 178.518 176.300 0.237 0.000 1.070 594 M CA 1.275 56.718 55.300 0.239 0.000 1.137 594 M CB -0.159 32.550 32.600 0.181 0.000 1.378 594 M HN -0.058 nan 8.290 nan 0.000 0.426 595 R N -0.082 120.556 120.500 0.230 0.000 2.134 595 R HA -0.195 4.145 4.340 -0.000 0.000 0.248 595 R C -0.995 175.296 176.300 -0.014 0.000 1.143 595 R CA 2.417 58.514 56.100 -0.005 0.000 0.957 595 R CB -1.708 28.705 30.300 0.188 0.000 0.867 595 R HN 0.287 nan 8.270 nan 0.000 0.441 596 P HA -0.143 nan 4.420 nan 0.000 0.215 596 P C 0.528 177.743 177.300 -0.141 0.000 1.153 596 P CA 1.424 64.463 63.100 -0.101 0.000 0.853 596 P CB -0.124 31.464 31.700 -0.186 0.000 0.788 597 Y N -2.622 117.660 120.300 -0.030 0.000 2.242 597 Y HA -0.195 4.355 4.550 -0.000 0.000 0.291 597 Y C 2.580 178.456 175.900 -0.040 0.000 1.137 597 Y CA 1.249 59.333 58.100 -0.027 0.000 1.181 597 Y CB -1.293 37.163 38.460 -0.007 0.000 0.989 597 Y HN -0.022 nan 8.280 nan 0.000 0.527 598 Y N 1.168 121.428 120.300 -0.066 0.000 2.097 598 Y HA -0.294 4.256 4.550 -0.000 0.000 0.282 598 Y C 2.174 177.979 175.900 -0.158 0.000 1.152 598 Y CA 2.018 59.994 58.100 -0.207 0.000 1.136 598 Y CB -0.248 37.825 38.460 -0.645 0.000 0.975 598 Y HN 0.113 nan 8.280 nan 0.000 0.498 599 E N -0.191 119.829 120.200 -0.301 0.000 2.204 599 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 599 E C 2.079 178.537 176.600 -0.237 0.000 0.990 599 E CA 1.078 57.286 56.400 -0.319 0.000 0.821 599 E CB -0.023 29.592 29.700 -0.142 0.000 0.750 599 E HN 0.562 nan 8.360 nan 0.000 0.477 600 E N 0.140 120.240 120.200 -0.166 0.000 2.072 600 E HA -0.077 4.272 4.350 -0.000 0.000 0.190 600 E C 2.167 178.698 176.600 -0.114 0.000 0.982 600 E CA 0.655 56.984 56.400 -0.119 0.000 0.803 600 E CB 0.041 29.685 29.700 -0.095 0.000 0.755 600 E HN 0.080 nan 8.360 nan 0.000 0.453 601 S N 0.946 116.574 115.700 -0.121 0.000 2.402 601 S HA -0.095 4.374 4.470 -0.000 0.000 0.229 601 S C 1.830 176.336 174.600 -0.156 0.000 1.021 601 S CA 0.802 58.944 58.200 -0.097 0.000 0.974 601 S CB 0.011 63.183 63.200 -0.047 0.000 0.800 601 S HN 0.178 nan 8.310 nan 0.000 0.484 602 K N 1.189 121.417 120.400 -0.288 0.000 2.002 602 K HA -0.084 4.235 4.320 -0.000 0.000 0.209 602 K C 2.196 178.703 176.600 -0.155 0.000 1.048 602 K CA 1.255 57.371 56.287 -0.284 0.000 0.930 602 K CB -0.085 32.161 32.500 -0.424 0.000 0.714 602 K HN 0.232 nan 8.250 nan 0.000 0.438 603 K N 0.175 120.493 120.400 -0.137 0.000 2.001 603 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 603 K C 2.253 178.814 176.600 -0.065 0.000 1.048 603 K CA 1.208 57.442 56.287 -0.087 0.000 0.932 603 K CB -0.201 32.252 32.500 -0.078 0.000 0.715 603 K HN 0.078 nan 8.250 nan 0.000 0.437 604 R N 1.081 121.543 120.500 -0.063 0.000 2.117 604 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 604 R C 2.131 178.410 176.300 -0.034 0.000 1.143 604 R CA 1.273 57.348 56.100 -0.042 0.000 0.968 604 R CB -0.270 30.009 30.300 -0.035 0.000 0.863 604 R HN 0.038 nan 8.270 nan 0.000 0.444 605 V N 0.851 120.740 119.914 -0.041 0.000 2.379 605 V HA -0.192 3.928 4.120 -0.000 0.000 0.245 605 V C 2.384 178.462 176.094 -0.027 0.000 1.044 605 V CA 2.017 64.301 62.300 -0.028 0.000 1.036 605 V CB -0.266 31.541 31.823 -0.027 0.000 0.664 605 V HN 0.403 nan 8.190 nan 0.000 0.453 606 K N 0.087 120.466 120.400 -0.035 0.000 2.025 606 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 606 K C 2.067 178.652 176.600 -0.025 0.000 1.049 606 K CA 1.951 58.220 56.287 -0.029 0.000 0.933 606 K CB -0.258 32.222 32.500 -0.034 0.000 0.714 606 K HN 0.505 nan 8.250 nan 0.000 0.438 607 E N -0.001 120.182 120.200 -0.027 0.000 2.515 607 E HA -0.115 4.235 4.350 -0.000 0.000 0.201 607 E C 1.040 177.629 176.600 -0.018 0.000 1.071 607 E CA 0.501 56.888 56.400 -0.023 0.000 0.880 607 E CB 0.275 29.960 29.700 -0.025 0.000 0.828 607 E HN 0.230 nan 8.360 nan 0.000 0.540 608 R N -0.625 119.865 120.500 -0.017 0.000 2.509 608 R HA 0.202 4.542 4.340 -0.000 0.000 0.297 608 R C -0.133 176.161 176.300 -0.011 0.000 0.951 608 R CA -0.162 55.931 56.100 -0.012 0.000 1.103 608 R CB 1.052 31.346 30.300 -0.010 0.000 1.283 608 R HN -0.112 nan 8.270 nan 0.000 0.534 609 S N 1.173 116.866 115.700 -0.012 0.000 2.531 609 S HA 0.145 4.614 4.470 -0.000 0.000 0.279 609 S C 0.245 174.839 174.600 -0.011 0.000 1.305 609 S CA 0.301 58.495 58.200 -0.011 0.000 1.058 609 S CB 1.480 64.671 63.200 -0.015 0.000 0.899 609 S HN 0.032 nan 8.310 nan 0.000 0.493 610 T N 2.183 116.731 114.554 -0.009 0.000 2.936 610 T HA 0.482 4.832 4.350 -0.000 0.000 0.282 610 T C 1.472 176.167 174.700 -0.009 0.000 1.003 610 T CA -0.263 61.832 62.100 -0.008 0.000 1.005 610 T CB 1.283 70.147 68.868 -0.006 0.000 1.097 610 T HN 0.615 nan 8.240 nan 0.000 0.532 611 A N 0.465 123.280 122.820 -0.008 0.000 2.014 611 A HA -0.043 4.276 4.320 -0.000 0.000 0.218 611 A C 1.966 179.545 177.584 -0.007 0.000 1.163 611 A CA 1.533 53.565 52.037 -0.008 0.000 0.652 611 A CB -0.486 18.510 19.000 -0.007 0.000 0.808 611 A HN 0.928 nan 8.150 nan 0.000 0.449 612 E N -1.068 119.129 120.200 -0.006 0.000 2.364 612 E HA 0.213 4.563 4.350 -0.000 0.000 0.196 612 E C 0.018 176.616 176.600 -0.004 0.000 0.990 612 E CA 0.107 56.505 56.400 -0.005 0.000 0.886 612 E CB 0.023 29.721 29.700 -0.004 0.000 0.866 612 E HN 0.499 nan 8.360 nan 0.000 0.493 613 I N 2.671 123.238 120.570 -0.005 0.000 2.495 613 I HA 0.255 4.424 4.170 -0.000 0.000 0.277 613 I C -0.656 175.457 176.117 -0.006 0.000 1.045 613 I CA -0.979 60.319 61.300 -0.004 0.000 1.135 613 I CB 1.335 39.334 38.000 -0.002 0.000 1.241 613 I HN -0.109 nan 8.210 nan 0.000 0.469 614 K N 6.491 126.886 120.400 -0.008 0.000 2.218 614 K HA 0.525 4.845 4.320 -0.000 0.000 0.276 614 K C -0.217 176.379 176.600 -0.006 0.000 1.022 614 K CA -0.466 55.814 56.287 -0.012 0.000 0.946 614 K CB 1.435 33.923 32.500 -0.020 0.000 1.000 614 K HN 0.517 nan 8.250 nan 0.000 0.468 615 R N 0.370 120.866 120.500 -0.006 0.000 2.637 615 R HA 0.608 4.948 4.340 -0.000 0.000 0.291 615 R C 0.087 176.388 176.300 0.002 0.000 0.963 615 R CA -0.835 55.266 56.100 0.001 0.000 0.901 615 R CB 2.061 32.361 30.300 0.001 0.000 1.160 615 R HN 0.790 nan 8.270 nan 0.000 0.457 616 G N 0.289 109.099 108.800 0.017 0.000 2.733 616 G HA2 0.546 4.506 3.960 -0.000 0.000 0.288 616 G HA3 0.546 4.506 3.960 -0.000 0.000 0.288 616 G C -1.725 173.205 174.900 0.049 0.000 1.373 616 G CA -0.457 44.660 45.100 0.029 0.000 0.895 616 G HN 0.363 nan 8.290 nan 0.000 0.479 617 V N -0.402 119.554 119.914 0.071 0.000 2.656 617 V HA 0.928 5.048 4.120 -0.000 0.000 0.307 617 V C 0.034 176.228 176.094 0.166 0.000 1.051 617 V CA 0.211 62.572 62.300 0.102 0.000 0.893 617 V CB 1.681 33.543 31.823 0.065 0.000 0.999 617 V HN 1.395 nan 8.190 nan 0.000 0.426 618 G N 4.632 113.537 108.800 0.175 0.000 2.591 618 G HA2 0.704 4.663 3.960 -0.000 0.000 0.306 618 G HA3 0.704 4.663 3.960 -0.000 0.000 0.306 618 G C -1.048 173.974 174.900 0.202 0.000 1.334 618 G CA -0.096 45.118 45.100 0.190 0.000 0.981 618 G HN 1.484 nan 8.290 nan 0.000 0.491 619 V N -1.329 118.706 119.914 0.201 0.000 3.046 619 V HA 1.032 5.152 4.120 -0.000 0.000 0.316 619 V C 0.024 176.208 176.094 0.150 0.000 1.104 619 V CA -0.789 61.627 62.300 0.193 0.000 1.006 619 V CB 1.436 33.391 31.823 0.219 0.000 1.058 619 V HN 2.092 nan 8.190 nan 0.000 0.440 620 A N 2.148 125.068 122.820 0.166 0.000 2.594 620 A HA 0.724 5.044 4.320 -0.000 0.000 0.296 620 A C -1.804 175.896 177.584 0.193 0.000 1.056 620 A CA -0.442 51.688 52.037 0.155 0.000 0.693 620 A CB 1.533 20.598 19.000 0.107 0.000 1.278 620 A HN 1.754 nan 8.150 nan 0.000 0.408 621 L N 1.633 122.941 121.223 0.142 0.000 2.296 621 L HA 0.827 5.167 4.340 -0.000 0.000 0.286 621 L C 0.372 177.309 176.870 0.111 0.000 1.023 621 L CA 0.354 55.235 54.840 0.069 0.000 0.812 621 L CB 1.543 43.604 42.059 0.003 0.000 1.223 621 L HN 1.100 nan 8.230 nan 0.000 0.421 622 G N 4.154 113.062 108.800 0.181 0.000 2.495 622 G HA2 0.678 4.637 3.960 -0.000 0.000 0.318 622 G HA3 0.678 4.637 3.960 -0.000 0.000 0.318 622 G C -1.827 173.139 174.900 0.111 0.000 1.257 622 G CA -0.493 44.720 45.100 0.188 0.000 0.962 622 G HN 0.541 nan 8.290 nan 0.000 0.483 623 V N 1.270 121.236 119.914 0.086 0.000 2.888 623 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 623 V C -1.309 174.866 176.094 0.136 0.000 1.114 623 V CA -0.760 61.586 62.300 0.076 0.000 0.940 623 V CB 1.752 33.658 31.823 0.139 0.000 1.021 623 V HN 0.856 nan 8.190 nan 0.000 0.426 624 Y N 0.757 120.995 120.300 -0.103 0.000 2.609 624 Y HA 0.679 5.229 4.550 -0.000 0.000 0.336 624 Y C 0.362 176.183 175.900 -0.132 0.000 1.129 624 Y CA -0.559 57.378 58.100 -0.272 0.000 1.040 624 Y CB 2.261 40.472 38.460 -0.415 0.000 1.310 624 Y HN 0.818 nan 8.280 nan 0.000 0.460 625 G N 1.034 109.258 108.800 -0.960 0.000 2.451 625 G HA2 0.570 4.529 3.960 -0.000 0.000 0.303 625 G HA3 0.570 4.529 3.960 -0.000 0.000 0.303 625 G C -1.403 172.992 174.900 -0.841 0.000 1.166 625 G CA -0.388 44.009 45.100 -1.171 0.000 0.884 625 G HN 0.785 nan 8.290 nan 0.000 0.514 626 A N 0.358 122.863 122.820 -0.525 0.000 2.256 626 A HA 0.877 5.196 4.320 -0.000 0.000 0.317 626 A C 0.609 178.119 177.584 -0.125 0.000 1.318 626 A CA 0.304 52.195 52.037 -0.244 0.000 0.894 626 A CB 0.126 19.047 19.000 -0.132 0.000 1.165 626 A HN 2.484 nan 8.150 nan 0.000 0.525 627 G N 0.742 109.503 108.800 -0.066 0.000 2.515 627 G HA2 0.123 4.083 3.960 -0.000 0.000 0.686 627 G HA3 0.123 4.083 3.960 -0.000 0.000 0.686 627 G C -0.831 174.202 174.900 0.221 0.000 1.274 627 G CA -0.863 44.286 45.100 0.081 0.000 0.874 627 G HN 0.895 nan 8.290 nan 0.000 0.631 628 L N 0.659 122.001 121.223 0.198 0.000 2.418 628 L HA 0.339 4.679 4.340 -0.000 0.000 0.265 628 L C 0.630 177.612 176.870 0.186 0.000 1.143 628 L CA -0.696 54.291 54.840 0.244 0.000 0.809 628 L CB 0.558 42.716 42.059 0.164 0.000 1.124 628 L HN 0.651 nan 8.230 nan 0.000 0.456 629 D N 1.604 122.082 120.400 0.130 0.000 2.548 629 D HA 0.313 4.953 4.640 -0.000 0.000 0.231 629 D C 0.752 176.949 176.300 -0.171 0.000 1.142 629 D CA 1.519 55.378 54.000 -0.234 0.000 0.866 629 D CB 0.371 41.097 40.800 -0.123 0.000 1.190 629 D HN 0.792 nan 8.370 nan 0.000 0.469 630 G N 2.640 111.278 108.800 -0.269 0.000 2.569 630 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.259 630 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.259 630 G C -2.118 172.701 174.900 -0.135 0.000 1.263 630 G CA -0.430 44.565 45.100 -0.176 0.000 0.928 630 G HN 0.569 nan 8.290 nan 0.000 0.572 631 P HA 0.205 nan 4.420 nan 0.000 0.235 631 P C -0.471 176.761 177.300 -0.114 0.000 1.720 631 P CA 0.198 63.214 63.100 -0.140 0.000 1.003 631 P CB -0.218 31.404 31.700 -0.130 0.000 1.968 632 D N 1.277 121.626 120.400 -0.085 0.000 2.417 632 D HA 0.113 4.753 4.640 -0.000 0.000 0.250 632 D C -0.134 176.139 176.300 -0.045 0.000 1.166 632 D CA 0.705 54.685 54.000 -0.032 0.000 0.881 632 D CB 0.493 41.308 40.800 0.024 0.000 1.164 632 D HN 0.073 nan 8.370 nan 0.000 0.467 633 T N 1.945 116.479 114.554 -0.033 0.000 2.912 633 T HA 0.580 4.930 4.350 -0.000 0.000 0.288 633 T C -0.595 174.109 174.700 0.005 0.000 1.030 633 T CA -0.706 61.380 62.100 -0.024 0.000 1.020 633 T CB 1.601 70.436 68.868 -0.055 0.000 1.056 633 T HN 0.234 nan 8.240 nan 0.000 0.480 634 S N 0.516 116.239 115.700 0.039 0.000 2.564 634 S HA 0.639 5.109 4.470 -0.000 0.000 0.274 634 S C -1.612 173.001 174.600 0.021 0.000 1.124 634 S CA -0.678 57.526 58.200 0.007 0.000 0.869 634 S CB 1.832 65.028 63.200 -0.006 0.000 1.105 634 S HN 0.698 nan 8.310 nan 0.000 0.472 635 E N 0.477 120.671 120.200 -0.010 0.000 2.336 635 E HA 0.863 5.213 4.350 -0.000 0.000 0.267 635 E C -1.297 175.308 176.600 0.009 0.000 0.906 635 E CA -0.606 55.804 56.400 0.017 0.000 0.781 635 E CB 2.065 31.771 29.700 0.009 0.000 1.261 635 E HN 0.877 nan 8.360 nan 0.000 0.436 636 A N 2.157 125.003 122.820 0.044 0.000 2.594 636 A HA 0.534 4.854 4.320 -0.000 0.000 0.296 636 A C -1.992 175.646 177.584 0.090 0.000 1.056 636 A CA -0.939 51.087 52.037 -0.019 0.000 0.693 636 A CB 0.838 19.816 19.000 -0.038 0.000 1.278 636 A HN 0.570 nan 8.150 nan 0.000 0.408 637 W N 1.033 122.372 121.300 0.064 0.000 2.781 637 W HA 0.796 5.456 4.660 -0.000 0.000 0.345 637 W C -1.840 174.729 176.519 0.084 0.000 1.085 637 W CA -1.171 56.217 57.345 0.071 0.000 1.198 637 W CB 1.226 30.716 29.460 0.051 0.000 1.423 637 W HN 0.564 nan 8.180 nan 0.000 0.532 638 V N 1.493 121.695 119.914 0.481 0.000 2.638 638 V HA 0.331 4.451 4.120 -0.000 0.000 0.306 638 V C -0.784 175.589 176.094 0.465 0.000 1.052 638 V CA -0.687 61.829 62.300 0.360 0.000 0.885 638 V CB 1.822 33.764 31.823 0.199 0.000 0.999 638 V HN 0.648 nan 8.190 nan 0.000 0.424 639 E N 3.212 123.672 120.200 0.433 0.000 2.224 639 E HA 0.532 4.882 4.350 -0.000 0.000 0.265 639 E C -1.466 175.269 176.600 0.225 0.000 0.878 639 E CA -0.864 55.725 56.400 0.316 0.000 0.759 639 E CB 2.073 31.942 29.700 0.281 0.000 1.164 639 E HN 0.584 nan 8.360 nan 0.000 0.414 640 L N 4.516 125.854 121.223 0.193 0.000 2.380 640 L HA 0.316 4.656 4.340 -0.000 0.000 0.273 640 L C -0.741 176.199 176.870 0.116 0.000 1.138 640 L CA 0.085 55.006 54.840 0.134 0.000 0.832 640 L CB 0.581 42.715 42.059 0.126 0.000 1.124 640 L HN 0.521 nan 8.230 nan 0.000 0.454 641 N N 2.609 121.373 118.700 0.106 0.000 2.459 641 N HA 0.218 4.958 4.740 -0.000 0.000 0.288 641 N C 0.247 175.804 175.510 0.080 0.000 1.186 641 N CA -0.586 52.525 53.050 0.102 0.000 0.917 641 N CB 1.115 39.684 38.487 0.136 0.000 1.219 641 N HN 0.578 nan 8.380 nan 0.000 0.525 642 D N 0.182 120.623 120.400 0.068 0.000 2.149 642 D HA -0.165 4.475 4.640 -0.000 0.000 0.198 642 D C 0.613 176.947 176.300 0.057 0.000 0.990 642 D CA 1.361 55.395 54.000 0.056 0.000 0.839 642 D CB -0.044 40.783 40.800 0.044 0.000 0.948 642 D HN 0.631 nan 8.370 nan 0.000 0.460 643 D N -0.579 119.861 120.400 0.065 0.000 2.338 643 D HA 0.077 4.717 4.640 -0.000 0.000 0.239 643 D C 1.436 177.772 176.300 0.061 0.000 1.095 643 D CA 0.713 54.751 54.000 0.063 0.000 0.888 643 D CB -0.316 40.528 40.800 0.072 0.000 0.899 643 D HN 0.245 nan 8.370 nan 0.000 0.525 644 G N 0.040 108.875 108.800 0.058 0.000 2.159 644 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.256 644 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.256 644 G C 0.444 175.362 174.900 0.030 0.000 0.977 644 G CA 0.603 45.727 45.100 0.041 0.000 0.652 644 G HN 0.829 nan 8.290 nan 0.000 0.531 645 S N -1.456 114.277 115.700 0.054 0.000 2.686 645 S HA 0.821 5.290 4.470 -0.000 0.000 0.270 645 S C -0.028 174.581 174.600 0.015 0.000 1.194 645 S CA -0.187 58.023 58.200 0.016 0.000 0.990 645 S CB 2.694 65.944 63.200 0.084 0.000 1.029 645 S HN 1.066 nan 8.310 nan 0.000 0.560 646 V N 0.560 120.434 119.914 -0.066 0.000 2.789 646 V HA 0.564 4.684 4.120 -0.000 0.000 0.311 646 V C -0.635 175.466 176.094 0.011 0.000 1.073 646 V CA -0.554 61.747 62.300 0.002 0.000 0.921 646 V CB 2.428 34.239 31.823 -0.019 0.000 1.009 646 V HN 1.095 nan 8.190 nan 0.000 0.426 647 T N 5.758 120.400 114.554 0.147 0.000 2.791 647 T HA 0.495 4.844 4.350 -0.000 0.000 0.288 647 T C -0.537 174.228 174.700 0.108 0.000 0.999 647 T CA -0.216 62.000 62.100 0.194 0.000 0.952 647 T CB 0.963 70.029 68.868 0.330 0.000 0.938 647 T HN 0.408 nan 8.240 nan 0.000 0.444 648 L N 3.337 124.528 121.223 -0.053 0.000 2.275 648 L HA 0.687 5.027 4.340 -0.000 0.000 0.288 648 L C 0.426 176.956 176.870 -0.566 0.000 1.046 648 L CA -0.414 54.288 54.840 -0.229 0.000 0.805 648 L CB 0.736 42.721 42.059 -0.123 0.000 1.193 648 L HN 0.779 nan 8.230 nan 0.000 0.426 649 G N 3.244 111.303 108.800 -1.235 0.000 2.437 649 G HA2 0.480 4.440 3.960 -0.000 0.000 0.315 649 G HA3 0.480 4.440 3.960 -0.000 0.000 0.315 649 G C -0.985 173.364 174.900 -0.918 0.000 1.210 649 G CA -0.461 43.654 45.100 -1.642 0.000 0.943 649 G HN 0.766 nan 8.290 nan 0.000 0.471 650 N N -0.536 117.924 118.700 -0.400 0.000 3.204 650 N HA 0.575 5.315 4.740 -0.000 0.000 0.285 650 N C -0.515 174.983 175.510 -0.019 0.000 1.536 650 N CA -0.908 52.049 53.050 -0.156 0.000 0.832 650 N CB 1.512 39.982 38.487 -0.028 0.000 1.645 650 N HN 0.013 nan 8.380 nan 0.000 0.586 651 S N -0.953 114.777 115.700 0.051 0.000 2.617 651 S HA 0.141 4.611 4.470 -0.000 0.000 0.237 651 S C -1.548 173.129 174.600 0.128 0.000 1.142 651 S CA -0.523 57.730 58.200 0.089 0.000 1.167 651 S CB -0.460 62.822 63.200 0.137 0.000 1.068 651 S HN 0.536 nan 8.310 nan 0.000 0.470 652 W N 3.994 125.257 121.300 -0.061 0.000 2.290 652 W HA 0.376 5.036 4.660 -0.000 0.000 0.408 652 W C -0.426 176.054 176.519 -0.066 0.000 0.966 652 W CA -1.383 55.931 57.345 -0.052 0.000 1.579 652 W CB -0.956 28.475 29.460 -0.048 0.000 1.662 652 W HN 0.241 nan 8.180 nan 0.000 0.341 653 E N 2.351 122.686 120.200 0.226 0.000 2.442 653 E HA -0.092 4.258 4.350 -0.000 0.000 0.262 653 E C -0.482 176.151 176.600 0.056 0.000 1.004 653 E CA 0.912 57.335 56.400 0.038 0.000 0.928 653 E CB 0.524 30.157 29.700 -0.113 0.000 0.937 653 E HN 0.126 nan 8.360 nan 0.000 0.446 654 D N 0.890 121.248 120.400 -0.071 0.000 2.381 654 D HA 0.139 4.778 4.640 -0.000 0.000 0.235 654 D C -0.026 176.218 176.300 -0.093 0.000 1.068 654 D CA -0.316 53.651 54.000 -0.056 0.000 0.832 654 D CB 0.486 41.224 40.800 -0.104 0.000 1.101 654 D HN 0.490 nan 8.370 nan 0.000 0.515 655 H N 2.535 121.541 119.070 -0.107 0.000 2.548 655 H HA 0.184 4.740 4.556 -0.000 0.000 0.268 655 H C 1.074 176.309 175.328 -0.156 0.000 0.975 655 H CA 0.692 56.635 56.048 -0.176 0.000 1.195 655 H CB 1.010 30.620 29.762 -0.253 0.000 1.397 655 H HN 0.652 nan 8.280 nan 0.000 0.572 656 G N 1.413 110.230 108.800 0.027 0.000 2.198 656 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.156 656 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.156 656 G C 1.244 176.142 174.900 -0.003 0.000 1.012 656 G CA 0.352 45.460 45.100 0.013 0.000 0.692 656 G HN 0.401 nan 8.290 nan 0.000 0.492 657 Q N 1.186 120.981 119.800 -0.008 0.000 2.297 657 Q HA 0.288 4.628 4.340 -0.000 0.000 0.204 657 Q C 1.449 177.412 176.000 -0.061 0.000 0.962 657 Q CA 1.926 57.715 55.803 -0.023 0.000 0.879 657 Q CB -0.229 28.502 28.738 -0.012 0.000 0.947 657 Q HN 1.921 nan 8.270 nan 0.000 0.462 658 G N 0.340 109.075 108.800 -0.108 0.000 2.337 658 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.134 658 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.134 658 G C 0.625 175.312 174.900 -0.356 0.000 1.052 658 G CA 0.257 45.245 45.100 -0.186 0.000 0.737 658 G HN 0.605 nan 8.290 nan 0.000 0.485 659 A N 0.479 123.027 122.820 -0.454 0.000 2.019 659 A HA 0.079 4.398 4.320 -0.000 0.000 0.219 659 A C 2.223 179.265 177.584 -0.902 0.000 1.164 659 A CA 2.353 53.784 52.037 -1.009 0.000 0.644 659 A CB -0.251 18.281 19.000 -0.780 0.000 0.805 659 A HN 0.820 nan 8.150 nan 0.000 0.449 660 D N 0.428 120.539 120.400 -0.482 0.000 2.123 660 D HA 0.001 4.641 4.640 -0.000 0.000 0.200 660 D C 1.812 177.921 176.300 -0.319 0.000 0.976 660 D CA 1.437 55.235 54.000 -0.337 0.000 0.831 660 D CB -0.823 39.854 40.800 -0.206 0.000 0.974 660 D HN 0.345 nan 8.370 nan 0.000 0.469 661 A N 0.821 123.452 122.820 -0.316 0.000 1.930 661 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 661 A C 2.419 179.829 177.584 -0.289 0.000 1.175 661 A CA 1.790 53.668 52.037 -0.265 0.000 0.627 661 A CB -1.223 17.632 19.000 -0.242 0.000 0.815 661 A HN 0.385 nan 8.150 nan 0.000 0.443 662 G N -0.746 107.780 108.800 -0.457 0.000 2.403 662 G HA2 -0.076 3.883 3.960 -0.000 0.000 0.216 662 G HA3 -0.076 3.883 3.960 -0.000 0.000 0.216 662 G C 1.777 176.513 174.900 -0.272 0.000 1.154 662 G CA 1.224 46.058 45.100 -0.442 0.000 0.784 662 G HN 0.492 nan 8.290 nan 0.000 0.538 663 S N 0.348 115.783 115.700 -0.442 0.000 2.368 663 S HA -0.069 4.400 4.470 -0.000 0.000 0.224 663 S C 2.137 176.745 174.600 0.012 0.000 1.029 663 S CA 0.976 59.137 58.200 -0.065 0.000 0.988 663 S CB -0.259 62.874 63.200 -0.110 0.000 0.838 663 S HN 0.227 nan 8.310 nan 0.000 0.462 664 L N 2.188 123.374 121.223 -0.061 0.000 2.027 664 L HA 0.081 4.421 4.340 -0.000 0.000 0.206 664 L C 2.302 179.213 176.870 0.069 0.000 1.074 664 L CA 1.972 56.806 54.840 -0.010 0.000 0.745 664 L CB -1.337 40.680 42.059 -0.069 0.000 0.898 664 L HN 0.312 nan 8.230 nan 0.000 0.433 665 G N -2.057 106.773 108.800 0.050 0.000 2.422 665 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 665 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 665 G C 1.415 176.563 174.900 0.413 0.000 1.146 665 G CA 1.184 46.376 45.100 0.152 0.000 0.769 665 G HN 0.440 nan 8.290 nan 0.000 0.547 666 T N 1.506 116.321 114.554 0.434 0.000 2.812 666 T HA 0.121 4.471 4.350 -0.000 0.000 0.264 666 T C 2.837 177.725 174.700 0.314 0.000 1.042 666 T CA 1.334 63.747 62.100 0.521 0.000 1.140 666 T CB -0.321 68.843 68.868 0.494 0.000 0.870 666 T HN 0.351 nan 8.240 nan 0.000 0.445 667 A N 1.654 124.601 122.820 0.212 0.000 1.858 667 A HA -0.199 4.120 4.320 -0.000 0.000 0.216 667 A C 2.173 179.809 177.584 0.086 0.000 1.190 667 A CA 1.708 53.818 52.037 0.122 0.000 0.617 667 A CB -1.142 17.903 19.000 0.075 0.000 0.827 667 A HN 0.614 nan 8.150 nan 0.000 0.443 668 H N -0.289 118.802 119.070 0.035 0.000 2.319 668 H HA -0.207 4.349 4.556 -0.000 0.000 0.297 668 H C 2.138 177.443 175.328 -0.039 0.000 1.097 668 H CA 2.388 58.436 56.048 0.000 0.000 1.285 668 H CB -0.063 29.706 29.762 0.012 0.000 1.368 668 H HN 0.538 nan 8.280 nan 0.000 0.495 669 E N 0.609 120.826 120.200 0.028 0.000 2.077 669 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 669 E C 2.212 178.614 176.600 -0.330 0.000 0.989 669 E CA 1.501 57.736 56.400 -0.275 0.000 0.800 669 E CB -0.460 28.835 29.700 -0.676 0.000 0.746 669 E HN 0.486 nan 8.360 nan 0.000 0.452 670 A N -0.195 122.582 122.820 -0.072 0.000 2.066 670 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 670 A C 1.599 179.159 177.584 -0.041 0.000 1.157 670 A CA 0.695 52.785 52.037 0.087 0.000 0.670 670 A CB -0.134 18.985 19.000 0.197 0.000 0.804 670 A HN 0.297 nan 8.150 nan 0.000 0.453 671 L N -0.128 121.024 121.223 -0.119 0.000 2.611 671 L HA 0.156 4.496 4.340 -0.000 0.000 0.229 671 L C 1.960 178.696 176.870 -0.222 0.000 1.137 671 L CA 0.500 55.239 54.840 -0.169 0.000 0.901 671 L CB -0.995 40.955 42.059 -0.182 0.000 1.098 671 L HN 0.313 nan 8.230 nan 0.000 0.456 672 R N 1.123 121.490 120.500 -0.221 0.000 2.113 672 R HA -0.170 4.170 4.340 -0.000 0.000 0.244 672 R C -0.395 175.829 176.300 -0.126 0.000 1.142 672 R CA 1.777 57.759 56.100 -0.197 0.000 0.953 672 R CB -1.895 28.311 30.300 -0.157 0.000 0.860 672 R HN 0.377 nan 8.270 nan 0.000 0.438 673 P HA -0.107 nan 4.420 nan 0.000 0.223 673 P C 1.159 178.417 177.300 -0.072 0.000 1.144 673 P CA 1.176 64.267 63.100 -0.016 0.000 0.783 673 P CB -0.067 31.670 31.700 0.061 0.000 0.771 674 L N -1.880 119.219 121.223 -0.206 0.000 2.607 674 L HA 0.287 4.627 4.340 -0.000 0.000 0.228 674 L C 1.562 178.341 176.870 -0.153 0.000 1.123 674 L CA 0.549 55.220 54.840 -0.281 0.000 0.890 674 L CB -0.721 41.124 42.059 -0.357 0.000 1.103 674 L HN 0.051 nan 8.230 nan 0.000 0.468 675 G N 1.014 109.739 108.800 -0.125 0.000 2.168 675 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 675 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 675 G C 0.359 175.205 174.900 -0.090 0.000 0.997 675 G CA -0.191 44.856 45.100 -0.088 0.000 0.708 675 G HN 0.174 nan 8.290 nan 0.000 0.520 676 I N 2.114 122.598 120.570 -0.144 0.000 2.752 676 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 676 I C 1.540 177.645 176.117 -0.021 0.000 1.197 676 I CA 0.704 61.944 61.300 -0.099 0.000 1.432 676 I CB -0.513 37.412 38.000 -0.125 0.000 1.359 676 I HN 0.386 nan 8.210 nan 0.000 0.571 677 T N 4.170 118.776 114.554 0.087 0.000 2.918 677 T HA 0.353 4.703 4.350 -0.000 0.000 0.283 677 T C -1.807 173.013 174.700 0.200 0.000 1.001 677 T CA -1.760 60.464 62.100 0.208 0.000 1.041 677 T CB 1.515 70.446 68.868 0.105 0.000 1.028 677 T HN 0.301 nan 8.240 nan 0.000 0.511 678 P HA -0.144 nan 4.420 nan 0.000 0.216 678 P C 1.508 178.817 177.300 0.016 0.000 1.150 678 P CA 0.970 64.083 63.100 0.023 0.000 0.843 678 P CB 0.033 31.669 31.700 -0.107 0.000 0.787 679 E N -0.644 119.572 120.200 0.027 0.000 2.511 679 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 679 E C 0.261 176.865 176.600 0.007 0.000 1.066 679 E CA 0.786 57.206 56.400 0.033 0.000 0.871 679 E CB -1.156 28.576 29.700 0.053 0.000 0.863 679 E HN 0.375 nan 8.360 nan 0.000 0.520 680 N N 0.513 119.183 118.700 -0.049 0.000 2.389 680 N HA 0.290 5.029 4.740 -0.000 0.000 0.260 680 N C -0.826 174.485 175.510 -0.333 0.000 1.191 680 N CA -0.116 52.832 53.050 -0.170 0.000 0.885 680 N CB 0.608 39.059 38.487 -0.060 0.000 1.162 680 N HN 0.056 nan 8.380 nan 0.000 0.512 681 I N 1.466 121.836 120.570 -0.333 0.000 2.521 681 I HA 0.200 4.370 4.170 -0.000 0.000 0.277 681 I C -0.603 175.358 176.117 -0.260 0.000 1.054 681 I CA -0.730 60.414 61.300 -0.259 0.000 1.117 681 I CB 0.513 38.472 38.000 -0.068 0.000 1.217 681 I HN 0.150 nan 8.210 nan 0.000 0.469 682 H N 6.288 125.377 119.070 0.031 0.000 2.505 682 H HA 0.561 5.117 4.556 -0.000 0.000 0.351 682 H C -0.424 174.905 175.328 0.001 0.000 1.151 682 H CA -0.450 55.612 56.048 0.023 0.000 1.339 682 H CB 1.682 31.471 29.762 0.045 0.000 1.483 682 H HN 0.387 nan 8.280 nan 0.000 0.558 683 L N 2.092 123.380 121.223 0.109 0.000 2.376 683 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 683 L C -0.525 176.351 176.870 0.010 0.000 0.987 683 L CA -0.860 53.986 54.840 0.011 0.000 0.828 683 L CB 2.018 44.061 42.059 -0.027 0.000 1.249 683 L HN 0.189 nan 8.230 nan 0.000 0.409 684 V N 4.728 124.621 119.914 -0.035 0.000 2.334 684 V HA 0.534 4.654 4.120 -0.000 0.000 0.281 684 V C 0.027 176.088 176.094 -0.054 0.000 1.016 684 V CA -0.136 62.170 62.300 0.010 0.000 0.832 684 V CB 1.454 33.355 31.823 0.130 0.000 0.999 684 V HN 0.742 nan 8.190 nan 0.000 0.439 685 M N 3.155 122.743 119.600 -0.021 0.000 2.619 685 M HA 0.577 5.057 4.480 -0.000 0.000 0.297 685 M C -0.209 176.084 176.300 -0.011 0.000 1.229 685 M CA -0.811 54.473 55.300 -0.027 0.000 0.860 685 M CB 2.078 34.654 32.600 -0.040 0.000 1.741 685 M HN 0.531 nan 8.290 nan 0.000 0.462 686 N N 3.001 121.700 118.700 -0.002 0.000 2.614 686 N HA -0.170 4.570 4.740 -0.000 0.000 0.276 686 N C -1.407 174.069 175.510 -0.056 0.000 1.119 686 N CA 1.014 54.048 53.050 -0.027 0.000 0.742 686 N CB -0.902 37.547 38.487 -0.064 0.000 0.900 686 N HN 0.725 nan 8.380 nan 0.000 0.549 687 D N -0.357 120.033 120.400 -0.016 0.000 2.419 687 D HA 0.071 4.711 4.640 -0.000 0.000 0.219 687 D C 1.105 177.416 176.300 0.018 0.000 1.349 687 D CA -0.050 53.931 54.000 -0.033 0.000 0.964 687 D CB 0.496 41.299 40.800 0.006 0.000 1.463 687 D HN 0.195 nan 8.370 nan 0.000 0.573 688 T N -0.369 114.152 114.554 -0.055 0.000 2.996 688 T HA -0.141 4.209 4.350 -0.000 0.000 0.271 688 T C 1.418 176.152 174.700 0.057 0.000 1.126 688 T CA 1.544 63.632 62.100 -0.020 0.000 1.103 688 T CB -0.116 68.714 68.868 -0.063 0.000 0.870 688 T HN 0.224 nan 8.240 nan 0.000 0.528 689 S N -0.086 115.635 115.700 0.036 0.000 2.535 689 S HA 0.312 4.782 4.470 -0.000 0.000 0.214 689 S C 1.542 176.183 174.600 0.067 0.000 0.980 689 S CA -0.445 57.771 58.200 0.027 0.000 0.907 689 S CB 0.071 63.279 63.200 0.013 0.000 0.790 689 S HN 0.605 nan 8.310 nan 0.000 0.510 690 K N 0.935 121.411 120.400 0.126 0.000 2.493 690 K HA 0.151 4.471 4.320 -0.000 0.000 0.201 690 K C 0.143 176.976 176.600 0.387 0.000 1.355 690 K CA 0.764 57.172 56.287 0.202 0.000 0.953 690 K CB 0.860 33.481 32.500 0.202 0.000 1.316 690 K HN 0.452 nan 8.250 nan 0.000 0.522 691 T N 1.191 115.943 114.554 0.331 0.000 2.859 691 T HA 0.408 4.758 4.350 -0.000 0.000 0.281 691 T C -2.663 172.243 174.700 0.343 0.000 1.005 691 T CA -2.344 59.974 62.100 0.363 0.000 1.025 691 T CB 1.898 70.863 68.868 0.161 0.000 0.977 691 T HN -0.188 nan 8.240 nan 0.000 0.458 692 P HA 0.074 nan 4.420 nan 0.000 0.272 692 P C -0.409 176.842 177.300 -0.082 0.000 1.254 692 P CA -0.527 62.666 63.100 0.155 0.000 0.795 692 P CB 0.505 32.311 31.700 0.178 0.000 1.022 693 N N 0.453 118.937 118.700 -0.360 0.000 2.508 693 N HA 0.043 4.783 4.740 -0.000 0.000 0.253 693 N C 0.503 175.847 175.510 -0.277 0.000 1.145 693 N CA 0.244 52.861 53.050 -0.723 0.000 0.973 693 N CB -0.503 37.593 38.487 -0.652 0.000 1.305 693 N HN 0.143 nan 8.380 nan 0.000 0.506 694 S N 1.222 116.825 115.700 -0.162 0.000 2.527 694 S HA 0.229 4.699 4.470 -0.000 0.000 0.222 694 S C 0.840 175.376 174.600 -0.107 0.000 0.985 694 S CA 0.307 58.447 58.200 -0.101 0.000 0.921 694 S CB -0.275 62.887 63.200 -0.063 0.000 0.772 694 S HN 0.917 nan 8.310 nan 0.000 0.529 695 G N 2.393 111.132 108.800 -0.102 0.000 2.707 695 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.686 695 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.686 695 G C -3.338 171.504 174.900 -0.098 0.000 1.315 695 G CA -1.073 43.972 45.100 -0.092 0.000 0.832 695 G HN 0.104 nan 8.290 nan 0.000 0.573 696 P HA 0.444 nan 4.420 nan 0.000 0.272 696 P C 0.135 177.444 177.300 0.015 0.000 1.223 696 P CA 0.587 63.613 63.100 -0.123 0.000 0.784 696 P CB 1.065 32.601 31.700 -0.272 0.000 0.923 697 A N 2.254 125.114 122.820 0.066 0.000 3.091 697 A HA 0.556 4.876 4.320 -0.000 0.000 0.264 697 A C 0.699 178.481 177.584 0.330 0.000 1.673 697 A CA -0.017 52.142 52.037 0.203 0.000 1.362 697 A CB -1.259 17.924 19.000 0.305 0.000 1.137 697 A HN 0.666 nan 8.150 nan 0.000 0.617 698 G N -1.870 107.071 108.800 0.235 0.000 2.690 698 G HA2 0.580 4.540 3.960 -0.000 0.000 0.291 698 G HA3 0.580 4.540 3.960 -0.000 0.000 0.291 698 G C 0.625 175.539 174.900 0.023 0.000 1.403 698 G CA -0.162 45.022 45.100 0.140 0.000 0.864 698 G HN 1.576 nan 8.290 nan 0.000 0.480 699 G N -0.408 108.353 108.800 -0.066 0.000 2.168 699 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.263 699 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.263 699 G C 0.908 175.809 174.900 0.002 0.000 0.977 699 G CA 0.980 46.084 45.100 0.007 0.000 0.659 699 G HN 2.032 nan 8.290 nan 0.000 0.533 700 S N -1.682 114.025 115.700 0.012 0.000 3.581 700 S HA -0.300 4.170 4.470 -0.000 0.000 0.354 700 S C 1.787 176.368 174.600 -0.032 0.000 1.059 700 S CA 2.094 60.296 58.200 0.003 0.000 1.060 700 S CB -1.010 62.203 63.200 0.021 0.000 0.908 700 S HN 1.397 nan 8.310 nan 0.000 0.475 701 R N -0.101 120.374 120.500 -0.042 0.000 2.175 701 R HA 0.217 4.557 4.340 -0.000 0.000 0.202 701 R C 1.978 178.166 176.300 -0.188 0.000 1.018 701 R CA 0.836 56.891 56.100 -0.076 0.000 1.029 701 R CB -0.547 29.732 30.300 -0.034 0.000 0.959 701 R HN 0.245 nan 8.270 nan 0.000 0.480 702 S N 1.881 117.408 115.700 -0.288 0.000 2.378 702 S HA -0.299 4.171 4.470 -0.000 0.000 0.229 702 S C 1.850 175.898 174.600 -0.919 0.000 1.052 702 S CA 2.102 59.849 58.200 -0.756 0.000 1.084 702 S CB -0.412 62.193 63.200 -0.993 0.000 0.950 702 S HN 0.366 nan 8.310 nan 0.000 0.440 703 Q N 0.803 120.361 119.800 -0.404 0.000 2.170 703 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 703 Q C 1.914 177.816 176.000 -0.163 0.000 0.976 703 Q CA 1.525 57.249 55.803 -0.131 0.000 0.858 703 Q CB -0.346 28.469 28.738 0.130 0.000 0.907 703 Q HN 0.420 nan 8.270 nan 0.000 0.433 704 V N -1.362 118.439 119.914 -0.188 0.000 2.341 704 V HA -0.110 4.010 4.120 -0.000 0.000 0.240 704 V C 2.102 177.993 176.094 -0.337 0.000 1.035 704 V CA 1.292 63.464 62.300 -0.213 0.000 1.033 704 V CB -0.283 31.474 31.823 -0.110 0.000 0.678 704 V HN 0.210 nan 8.190 nan 0.000 0.464 705 V N -0.255 119.543 119.914 -0.193 0.000 2.255 705 V HA -0.204 3.916 4.120 -0.000 0.000 0.243 705 V C 2.564 178.565 176.094 -0.156 0.000 1.038 705 V CA 2.571 64.850 62.300 -0.034 0.000 1.008 705 V CB -1.171 30.701 31.823 0.081 0.000 0.645 705 V HN 0.551 nan 8.190 nan 0.000 0.449 706 T N 0.600 114.969 114.554 -0.308 0.000 2.788 706 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 706 T C 1.930 176.444 174.700 -0.309 0.000 1.044 706 T CA 1.497 63.383 62.100 -0.358 0.000 1.139 706 T CB -0.691 67.785 68.868 -0.653 0.000 0.867 706 T HN 0.624 nan 8.240 nan 0.000 0.454 707 G N 2.118 110.696 108.800 -0.369 0.000 2.446 707 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 707 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 707 G C 1.684 176.443 174.900 -0.235 0.000 1.168 707 G CA 0.689 45.694 45.100 -0.158 0.000 0.771 707 G HN 0.388 nan 8.290 nan 0.000 0.551 708 N N 1.106 119.541 118.700 -0.443 0.000 2.166 708 N HA -0.062 4.677 4.740 -0.000 0.000 0.186 708 N C 2.511 177.841 175.510 -0.300 0.000 1.019 708 N CA 1.214 53.881 53.050 -0.639 0.000 0.856 708 N CB -0.398 37.178 38.487 -1.517 0.000 0.993 708 N HN 0.315 nan 8.380 nan 0.000 0.426 709 A N 1.019 123.768 122.820 -0.119 0.000 1.898 709 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 709 A C 2.339 179.919 177.584 -0.007 0.000 1.181 709 A CA 0.797 52.843 52.037 0.015 0.000 0.620 709 A CB -0.544 18.476 19.000 0.033 0.000 0.819 709 A HN 0.197 nan 8.150 nan 0.000 0.442 710 I N -1.104 119.449 120.570 -0.028 0.000 2.202 710 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 710 I C 2.713 178.832 176.117 0.003 0.000 1.091 710 I CA 1.527 62.835 61.300 0.013 0.000 1.368 710 I CB -0.318 37.727 38.000 0.074 0.000 1.058 710 I HN 0.360 nan 8.210 nan 0.000 0.410 711 R N 0.813 121.278 120.500 -0.057 0.000 2.094 711 R HA -0.189 4.150 4.340 -0.000 0.000 0.239 711 R C 2.310 178.573 176.300 -0.062 0.000 1.137 711 R CA 2.031 58.074 56.100 -0.095 0.000 0.943 711 R CB -0.330 29.778 30.300 -0.319 0.000 0.850 711 R HN 0.175 nan 8.270 nan 0.000 0.433 712 V N 1.011 120.891 119.914 -0.056 0.000 2.295 712 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 712 V C 2.515 178.635 176.094 0.043 0.000 1.049 712 V CA 1.965 64.270 62.300 0.008 0.000 1.024 712 V CB -0.812 31.051 31.823 0.065 0.000 0.648 712 V HN 0.565 nan 8.190 nan 0.000 0.447 713 A N -1.312 121.544 122.820 0.060 0.000 1.972 713 A HA -0.252 4.067 4.320 -0.000 0.000 0.219 713 A C 2.309 179.938 177.584 0.075 0.000 1.169 713 A CA 2.173 54.272 52.037 0.103 0.000 0.635 713 A CB -0.964 18.108 19.000 0.120 0.000 0.810 713 A HN 0.612 nan 8.150 nan 0.000 0.446 714 C N -0.641 118.678 119.300 0.033 0.000 2.466 714 C HA -0.027 4.433 4.460 -0.000 0.000 0.278 714 C C 2.554 177.520 174.990 -0.039 0.000 1.288 714 C CA 0.922 59.938 59.018 -0.003 0.000 1.722 714 C CB -1.128 26.613 27.740 0.002 0.000 2.017 714 C HN 0.686 nan 8.230 nan 0.000 0.488 715 E N 0.480 120.670 120.200 -0.018 0.000 2.153 715 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 715 E C 2.043 178.620 176.600 -0.038 0.000 0.988 715 E CA 1.137 57.525 56.400 -0.021 0.000 0.811 715 E CB -0.204 29.494 29.700 -0.004 0.000 0.746 715 E HN 0.671 nan 8.360 nan 0.000 0.466 716 M N 0.242 119.825 119.600 -0.028 0.000 2.156 716 M HA -0.104 4.376 4.480 -0.000 0.000 0.264 716 M C 2.339 178.430 176.300 -0.349 0.000 1.067 716 M CA 0.758 56.032 55.300 -0.045 0.000 1.131 716 M CB -0.085 32.586 32.600 0.118 0.000 1.368 716 M HN 0.125 nan 8.290 nan 0.000 0.416 717 L N 0.863 121.836 121.223 -0.418 0.000 2.046 717 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 717 L C 2.045 178.638 176.870 -0.462 0.000 1.077 717 L CA 1.836 56.232 54.840 -0.740 0.000 0.747 717 L CB -0.523 41.360 42.059 -0.294 0.000 0.896 717 L HN 0.229 nan 8.230 nan 0.000 0.432 718 I N -0.452 119.965 120.570 -0.254 0.000 2.163 718 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 718 I C 2.370 178.472 176.117 -0.025 0.000 1.085 718 I CA 1.197 62.398 61.300 -0.166 0.000 1.347 718 I CB -0.405 37.535 38.000 -0.098 0.000 1.044 718 I HN 0.312 nan 8.210 nan 0.000 0.408 719 E N 0.686 120.861 120.200 -0.043 0.000 2.208 719 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 719 E C 2.197 178.813 176.600 0.027 0.000 0.988 719 E CA 1.094 57.511 56.400 0.029 0.000 0.828 719 E CB -0.373 29.342 29.700 0.025 0.000 0.763 719 E HN 0.540 nan 8.360 nan 0.000 0.478 720 G N 0.145 108.861 108.800 -0.139 0.000 2.484 720 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.218 720 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.218 720 G C 1.466 176.426 174.900 0.100 0.000 1.130 720 G CA 0.146 45.207 45.100 -0.066 0.000 0.784 720 G HN 0.179 nan 8.290 nan 0.000 0.543 721 M N 0.451 120.114 119.600 0.105 0.000 2.495 721 M HA 0.218 4.698 4.480 -0.000 0.000 0.237 721 M C 0.362 176.975 176.300 0.522 0.000 1.131 721 M CA -0.043 55.449 55.300 0.320 0.000 1.032 721 M CB 0.353 33.029 32.600 0.127 0.000 1.513 721 M HN -0.110 nan 8.290 nan 0.000 0.488 722 R N 2.521 123.250 120.500 0.382 0.000 2.458 722 R HA 0.123 4.463 4.340 -0.000 0.000 0.303 722 R C -0.101 176.254 176.300 0.091 0.000 1.013 722 R CA 0.329 56.547 56.100 0.197 0.000 1.026 722 R CB 0.106 30.476 30.300 0.115 0.000 0.948 722 R HN 0.223 nan 8.270 nan 0.000 0.417 723 K N 4.440 124.639 120.400 -0.335 0.000 2.276 723 K HA 0.169 4.489 4.320 -0.000 0.000 0.283 723 K C -2.141 174.325 176.600 -0.224 0.000 1.044 723 K CA -1.756 54.124 56.287 -0.678 0.000 0.944 723 K CB 0.686 32.686 32.500 -0.834 0.000 1.012 723 K HN 0.149 nan 8.250 nan 0.000 0.472 724 P HA -0.122 nan 4.420 nan 0.000 0.251 724 P C 0.464 177.722 177.300 -0.070 0.000 1.154 724 P CA 1.165 64.257 63.100 -0.013 0.000 0.805 724 P CB 0.175 31.900 31.700 0.041 0.000 0.759 725 G N 3.286 112.040 108.800 -0.077 0.000 2.451 725 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 725 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 725 G C 0.666 175.483 174.900 -0.138 0.000 1.033 725 G CA 0.126 45.171 45.100 -0.091 0.000 0.633 725 G HN 0.862 nan 8.290 nan 0.000 0.537 726 G N -0.490 108.202 108.800 -0.179 0.000 3.565 726 G HA2 0.672 4.632 3.960 -0.000 0.000 0.346 726 G HA3 0.672 4.632 3.960 -0.000 0.000 0.346 726 G C 1.051 175.760 174.900 -0.317 0.000 1.363 726 G CA 1.296 46.267 45.100 -0.215 0.000 1.134 726 G HN 1.823 nan 8.290 nan 0.000 0.471 727 G N 1.382 109.929 108.800 -0.422 0.000 2.556 727 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.283 727 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.283 727 G C -0.146 174.233 174.900 -0.868 0.000 1.177 727 G CA 0.224 44.925 45.100 -0.666 0.000 0.978 727 G HN 0.823 nan 8.290 nan 0.000 0.554 728 F N -0.684 119.151 119.950 -0.192 0.000 2.593 728 F HA 0.753 5.280 4.527 -0.000 0.000 0.320 728 F C 0.464 176.107 175.800 -0.262 0.000 1.060 728 F CA -0.968 56.914 58.000 -0.197 0.000 0.940 728 F CB 1.534 40.493 39.000 -0.068 0.000 1.268 728 F HN 0.386 nan 8.300 nan 0.000 0.475 729 F N 0.043 120.130 119.950 0.228 0.000 2.284 729 F HA 0.511 5.037 4.527 -0.000 0.000 0.297 729 F C 0.810 176.676 175.800 0.109 0.000 1.215 729 F CA -0.166 57.909 58.000 0.126 0.000 1.120 729 F CB 1.091 40.151 39.000 0.100 0.000 1.426 729 F HN 0.429 nan 8.300 nan 0.000 0.514 730 T N -2.897 111.844 114.554 0.312 0.000 2.916 730 T HA 0.360 4.709 4.350 -0.000 0.000 0.292 730 T C -2.382 172.404 174.700 0.144 0.000 1.055 730 T CA -2.107 60.098 62.100 0.174 0.000 1.009 730 T CB 1.819 70.764 68.868 0.128 0.000 1.118 730 T HN 0.119 nan 8.240 nan 0.000 0.497 731 P HA -0.084 nan 4.420 nan 0.000 0.218 731 P C 1.420 178.760 177.300 0.066 0.000 1.146 731 P CA 1.501 64.647 63.100 0.077 0.000 0.813 731 P CB -0.153 31.586 31.700 0.064 0.000 0.778 732 A N 0.100 122.963 122.820 0.071 0.000 1.832 732 A HA -0.185 4.135 4.320 -0.000 0.000 0.214 732 A C 2.135 179.754 177.584 0.058 0.000 1.204 732 A CA 1.376 53.448 52.037 0.058 0.000 0.606 732 A CB -1.212 17.823 19.000 0.060 0.000 0.849 732 A HN 0.124 nan 8.150 nan 0.000 0.445 733 E N -1.109 119.149 120.200 0.096 0.000 2.171 733 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 733 E C 1.901 178.496 176.600 -0.008 0.000 0.997 733 E CA 1.505 57.967 56.400 0.102 0.000 0.810 733 E CB -0.279 29.588 29.700 0.279 0.000 0.738 733 E HN 0.549 nan 8.360 nan 0.000 0.467 734 M N 1.032 120.637 119.600 0.009 0.000 2.086 734 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 734 M C 1.859 178.125 176.300 -0.056 0.000 1.067 734 M CA 1.575 56.840 55.300 -0.058 0.000 1.116 734 M CB 0.094 32.714 32.600 0.033 0.000 1.348 734 M HN -0.176 nan 8.290 nan 0.000 0.407 735 K N -0.361 120.031 120.400 -0.015 0.000 2.057 735 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 735 K C 2.028 178.610 176.600 -0.029 0.000 1.049 735 K CA 1.565 57.843 56.287 -0.016 0.000 0.931 735 K CB -0.778 31.723 32.500 0.002 0.000 0.714 735 K HN 0.442 nan 8.250 nan 0.000 0.440 736 A N 2.025 124.829 122.820 -0.026 0.000 1.883 736 A HA -0.179 4.140 4.320 -0.000 0.000 0.217 736 A C 1.790 179.344 177.584 -0.050 0.000 1.186 736 A CA 1.549 53.570 52.037 -0.026 0.000 0.624 736 A CB -0.311 18.684 19.000 -0.009 0.000 0.822 736 A HN 0.236 nan 8.150 nan 0.000 0.444 737 E N -0.786 119.357 120.200 -0.095 0.000 2.515 737 E HA 0.073 4.423 4.350 -0.000 0.000 0.201 737 E C 1.319 177.862 176.600 -0.096 0.000 1.071 737 E CA 0.670 56.994 56.400 -0.126 0.000 0.880 737 E CB -0.804 28.739 29.700 -0.261 0.000 0.828 737 E HN 0.855 nan 8.360 nan 0.000 0.540 738 G N 2.074 110.830 108.800 -0.073 0.000 2.225 738 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.267 738 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.267 738 G C 0.252 175.113 174.900 -0.064 0.000 1.024 738 G CA 0.187 45.253 45.100 -0.057 0.000 0.784 738 G HN 0.073 nan 8.290 nan 0.000 0.507 739 R N 0.651 121.104 120.500 -0.078 0.000 2.543 739 R HA 0.281 4.621 4.340 -0.000 0.000 0.277 739 R C -1.731 174.550 176.300 -0.032 0.000 1.074 739 R CA -1.316 54.748 56.100 -0.059 0.000 1.076 739 R CB 0.417 30.661 30.300 -0.093 0.000 0.993 739 R HN 0.262 nan 8.270 nan 0.000 0.459 740 P HA 0.011 nan 4.420 nan 0.000 0.268 740 P C 0.333 177.583 177.300 -0.083 0.000 1.204 740 P CA -0.120 62.893 63.100 -0.144 0.000 0.768 740 P CB 0.708 32.226 31.700 -0.303 0.000 0.842 741 M N 1.053 120.610 119.600 -0.072 0.000 2.357 741 M HA 0.083 4.562 4.480 -0.000 0.000 0.266 741 M C 1.297 177.653 176.300 0.093 0.000 1.095 741 M CA 0.936 56.276 55.300 0.067 0.000 1.156 741 M CB -0.711 31.911 32.600 0.036 0.000 1.365 741 M HN 0.390 nan 8.290 nan 0.000 0.447 742 R N 0.229 120.658 120.500 -0.119 0.000 2.404 742 R HA 0.319 4.659 4.340 -0.000 0.000 0.291 742 R C -1.799 174.310 176.300 -0.318 0.000 1.025 742 R CA -0.137 55.925 56.100 -0.064 0.000 0.991 742 R CB 0.811 31.014 30.300 -0.161 0.000 1.053 742 R HN -0.031 nan 8.270 nan 0.000 0.479 743 Y N 1.877 122.244 120.300 0.112 0.000 2.338 743 Y HA 0.257 4.807 4.550 -0.000 0.000 0.333 743 Y C -0.495 175.497 175.900 0.154 0.000 0.968 743 Y CA -0.918 57.244 58.100 0.103 0.000 1.123 743 Y CB 1.978 40.489 38.460 0.086 0.000 1.165 743 Y HN 0.533 nan 8.280 nan 0.000 0.452 744 D N 2.119 122.636 120.400 0.195 0.000 2.210 744 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 744 D C 0.063 176.467 176.300 0.174 0.000 1.078 744 D CA -0.006 54.114 54.000 0.200 0.000 0.875 744 D CB 2.152 43.028 40.800 0.127 0.000 1.175 744 D HN 0.789 nan 8.370 nan 0.000 0.440 745 G N 0.873 109.769 108.800 0.160 0.000 2.482 745 G HA2 0.546 4.506 3.960 -0.000 0.000 0.317 745 G HA3 0.546 4.506 3.960 -0.000 0.000 0.317 745 G C -0.905 174.057 174.900 0.104 0.000 1.241 745 G CA -0.534 44.640 45.100 0.123 0.000 0.967 745 G HN 0.324 nan 8.290 nan 0.000 0.482 746 K N 0.208 120.674 120.400 0.109 0.000 2.527 746 K HA 0.519 4.839 4.320 -0.000 0.000 0.260 746 K C -2.410 174.299 176.600 0.182 0.000 0.937 746 K CA -0.962 55.389 56.287 0.107 0.000 0.826 746 K CB 2.864 35.400 32.500 0.059 0.000 1.359 746 K HN 0.520 nan 8.250 nan 0.000 0.434 747 W N 2.106 123.380 121.300 -0.044 0.000 3.425 747 W HA 0.396 5.056 4.660 -0.000 0.000 0.318 747 W C -1.625 174.861 176.519 -0.055 0.000 1.201 747 W CA -0.142 57.171 57.345 -0.052 0.000 1.212 747 W CB 2.077 31.495 29.460 -0.069 0.000 1.355 747 W HN 0.416 nan 8.180 nan 0.000 0.515 748 T N 4.335 118.374 114.554 -0.859 0.000 2.807 748 T HA 0.654 5.004 4.350 -0.000 0.000 0.279 748 T C -0.051 173.832 174.700 -1.360 0.000 0.993 748 T CA -0.425 61.210 62.100 -0.774 0.000 0.970 748 T CB 1.338 69.941 68.868 -0.443 0.000 0.950 748 T HN 0.597 nan 8.240 nan 0.000 0.441 749 A N 4.920 127.173 122.820 -0.945 0.000 2.488 749 A HA 0.451 4.771 4.320 -0.000 0.000 0.249 749 A C -1.776 175.575 177.584 -0.389 0.000 1.083 749 A CA -1.243 50.380 52.037 -0.689 0.000 0.768 749 A CB -0.160 18.772 19.000 -0.112 0.000 1.017 749 A HN 0.572 nan 8.150 nan 0.000 0.496 750 P HA 0.328 nan 4.420 nan 0.000 0.230 750 P C -0.403 176.843 177.300 -0.090 0.000 1.791 750 P CA 0.560 63.570 63.100 -0.150 0.000 1.020 750 P CB -0.062 31.593 31.700 -0.076 0.000 1.977 751 A N 2.289 125.039 122.820 -0.118 0.000 2.485 751 A HA 0.789 5.109 4.320 -0.000 0.000 0.292 751 A C -0.660 176.846 177.584 -0.130 0.000 1.147 751 A CA -0.707 51.262 52.037 -0.113 0.000 0.750 751 A CB 1.976 20.892 19.000 -0.140 0.000 1.331 751 A HN 0.156 nan 8.150 nan 0.000 0.419 752 K N 0.887 121.206 120.400 -0.136 0.000 2.427 752 K HA 0.409 4.728 4.320 -0.000 0.000 0.252 752 K C -1.538 174.969 176.600 -0.154 0.000 0.931 752 K CA -0.916 55.295 56.287 -0.126 0.000 0.793 752 K CB 1.835 34.280 32.500 -0.092 0.000 1.211 752 K HN 0.695 nan 8.250 nan 0.000 0.426 753 D N 1.028 121.343 120.400 -0.142 0.000 2.378 753 D HA 0.007 4.647 4.640 -0.000 0.000 0.238 753 D C 0.024 176.252 176.300 -0.120 0.000 1.180 753 D CA -0.056 53.855 54.000 -0.148 0.000 0.895 753 D CB 0.548 41.269 40.800 -0.131 0.000 1.192 753 D HN 0.365 nan 8.370 nan 0.000 0.438 754 C N 1.592 120.828 119.300 -0.107 0.000 2.539 754 C HA 0.238 4.698 4.460 -0.000 0.000 0.392 754 C C 0.701 175.658 174.990 -0.056 0.000 1.269 754 C CA -0.625 58.356 59.018 -0.061 0.000 2.250 754 C CB 0.199 27.930 27.740 -0.016 0.000 2.584 754 C HN 0.633 nan 8.230 nan 0.000 0.589 755 D N 1.393 121.774 120.400 -0.031 0.000 2.478 755 D HA 0.375 5.015 4.640 -0.000 0.000 0.269 755 D C 0.954 177.255 176.300 0.002 0.000 1.232 755 D CA -0.263 53.721 54.000 -0.026 0.000 1.059 755 D CB 0.249 41.038 40.800 -0.018 0.000 1.104 755 D HN 0.479 nan 8.370 nan 0.000 0.566 756 A N -0.633 122.190 122.820 0.005 0.000 2.139 756 A HA -0.195 4.125 4.320 -0.000 0.000 0.221 756 A C 1.438 179.044 177.584 0.036 0.000 1.159 756 A CA 1.681 53.733 52.037 0.024 0.000 0.662 756 A CB -0.842 18.166 19.000 0.013 0.000 0.796 756 A HN 0.640 nan 8.150 nan 0.000 0.463 757 K N -2.026 118.395 120.400 0.035 0.000 2.514 757 K HA 0.422 4.742 4.320 -0.000 0.000 0.207 757 K C 0.725 177.366 176.600 0.069 0.000 1.035 757 K CA 0.306 56.622 56.287 0.049 0.000 1.113 757 K CB -0.306 32.216 32.500 0.036 0.000 0.846 757 K HN 0.710 nan 8.250 nan 0.000 0.491 758 G N 1.531 110.377 108.800 0.076 0.000 2.160 758 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 758 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 758 G C -0.451 174.475 174.900 0.043 0.000 1.008 758 G CA 0.135 45.285 45.100 0.083 0.000 0.724 758 G HN 0.402 nan 8.290 nan 0.000 0.514 759 Q N -0.378 119.435 119.800 0.021 0.000 2.235 759 Q HA 0.767 5.107 4.340 -0.000 0.000 0.256 759 Q C 0.614 176.603 176.000 -0.018 0.000 0.951 759 Q CA 0.354 56.158 55.803 0.003 0.000 0.890 759 Q CB 1.931 30.671 28.738 0.005 0.000 1.279 759 Q HN 1.424 nan 8.270 nan 0.000 0.444 760 G N -0.073 108.711 108.800 -0.027 0.000 2.350 760 G HA2 0.118 4.078 3.960 -0.000 0.000 0.276 760 G HA3 0.118 4.078 3.960 -0.000 0.000 0.276 760 G C -1.377 173.495 174.900 -0.047 0.000 1.313 760 G CA -0.700 44.373 45.100 -0.045 0.000 0.903 760 G HN 0.334 nan 8.290 nan 0.000 0.490 761 S N 2.395 118.054 115.700 -0.068 0.000 2.130 761 S HA 0.465 4.935 4.470 -0.000 0.000 0.165 761 S C -1.337 173.173 174.600 -0.150 0.000 1.677 761 S CA -0.612 57.557 58.200 -0.052 0.000 1.227 761 S CB 1.948 65.132 63.200 -0.027 0.000 1.115 761 S HN 0.534 nan 8.310 nan 0.000 0.452 762 P HA -0.023 nan 4.420 nan 0.000 0.220 762 P C -0.221 176.405 177.300 -1.124 0.000 1.148 762 P CA 0.949 63.614 63.100 -0.726 0.000 0.803 762 P CB 0.007 31.169 31.700 -0.897 0.000 0.782 763 F N -1.692 118.204 119.950 -0.091 0.000 2.556 763 F HA 0.585 5.112 4.527 -0.000 0.000 0.314 763 F C 1.338 177.034 175.800 -0.174 0.000 1.106 763 F CA -1.062 56.798 58.000 -0.234 0.000 0.911 763 F CB 0.869 39.526 39.000 -0.573 0.000 1.190 763 F HN -0.270 nan 8.300 nan 0.000 0.448 764 A N 0.296 123.143 122.820 0.045 0.000 2.016 764 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 764 A C 0.371 178.008 177.584 0.089 0.000 1.162 764 A CA 0.743 52.830 52.037 0.084 0.000 0.662 764 A CB -0.308 18.772 19.000 0.132 0.000 0.812 764 A HN 0.665 nan 8.150 nan 0.000 0.450 765 C N -2.446 116.843 119.300 -0.017 0.000 2.707 765 C HA 0.776 5.236 4.460 -0.000 0.000 0.313 765 C C -0.793 174.044 174.990 -0.255 0.000 1.209 765 C CA -0.980 58.034 59.018 -0.006 0.000 1.635 765 C CB 0.722 28.473 27.740 0.018 0.000 2.206 765 C HN 0.504 nan 8.230 nan 0.000 0.485 766 Y N 0.305 120.611 120.300 0.008 0.000 2.662 766 Y HA 0.784 5.334 4.550 -0.000 0.000 0.335 766 Y C 0.109 175.831 175.900 -0.296 0.000 1.066 766 Y CA -1.090 56.890 58.100 -0.201 0.000 1.116 766 Y CB 1.176 39.450 38.460 -0.310 0.000 1.308 766 Y HN 0.400 nan 8.280 nan 0.000 0.502 767 M N 1.522 120.940 119.600 -0.304 0.000 2.327 767 M HA 0.447 4.926 4.480 -0.000 0.000 0.298 767 M C -2.017 174.033 176.300 -0.417 0.000 1.065 767 M CA -0.533 54.642 55.300 -0.209 0.000 0.916 767 M CB 2.038 34.605 32.600 -0.053 0.000 1.630 767 M HN 0.482 nan 8.290 nan 0.000 0.442 768 Y N 0.189 120.535 120.300 0.076 0.000 2.446 768 Y HA 0.857 5.407 4.550 -0.000 0.000 0.345 768 Y C 0.435 176.282 175.900 -0.089 0.000 0.984 768 Y CA -0.985 57.122 58.100 0.012 0.000 1.058 768 Y CB 2.433 40.893 38.460 0.001 0.000 1.220 768 Y HN 0.756 nan 8.280 nan 0.000 0.455 769 G N 2.357 111.130 108.800 -0.045 0.000 2.682 769 G HA2 0.635 4.594 3.960 -0.000 0.000 0.300 769 G HA3 0.635 4.594 3.960 -0.000 0.000 0.300 769 G C -2.171 172.358 174.900 -0.619 0.000 1.391 769 G CA -0.764 44.096 45.100 -0.399 0.000 0.990 769 G HN 0.566 nan 8.290 nan 0.000 0.501 770 L N 1.586 122.364 121.223 -0.742 0.000 2.319 770 L HA 0.544 4.884 4.340 -0.000 0.000 0.281 770 L C -1.014 175.449 176.870 -0.679 0.000 1.005 770 L CA -0.727 53.747 54.840 -0.609 0.000 0.828 770 L CB 1.237 42.981 42.059 -0.526 0.000 1.227 770 L HN 0.400 nan 8.230 nan 0.000 0.415 771 F N 4.529 124.431 119.950 -0.081 0.000 2.421 771 F HA 0.580 5.106 4.527 -0.000 0.000 0.337 771 F C -0.076 175.726 175.800 0.003 0.000 1.105 771 F CA -0.637 57.339 58.000 -0.041 0.000 1.049 771 F CB 1.673 40.660 39.000 -0.022 0.000 1.139 771 F HN 0.238 nan 8.300 nan 0.000 0.479 772 L N 3.077 124.402 121.223 0.169 0.000 2.410 772 L HA 0.831 5.171 4.340 -0.000 0.000 0.270 772 L C -0.755 176.198 176.870 0.138 0.000 0.983 772 L CA -0.078 54.855 54.840 0.155 0.000 0.822 772 L CB 2.165 44.300 42.059 0.126 0.000 1.285 772 L HN 0.762 nan 8.230 nan 0.000 0.409 773 T N -0.006 114.630 114.554 0.138 0.000 2.909 773 T HA 0.568 4.918 4.350 -0.000 0.000 0.299 773 T C -0.866 173.890 174.700 0.093 0.000 1.073 773 T CA -0.816 61.348 62.100 0.106 0.000 0.999 773 T CB 1.754 70.680 68.868 0.098 0.000 1.098 773 T HN 0.631 nan 8.240 nan 0.000 0.477 774 E N 1.347 121.590 120.200 0.071 0.000 2.129 774 E HA 0.542 4.892 4.350 -0.000 0.000 0.268 774 E C -0.398 176.230 176.600 0.048 0.000 0.900 774 E CA -1.006 55.427 56.400 0.055 0.000 0.755 774 E CB 2.037 31.762 29.700 0.041 0.000 1.117 774 E HN 0.694 nan 8.360 nan 0.000 0.410 775 V N -0.047 119.896 119.914 0.047 0.000 2.628 775 V HA 0.901 5.021 4.120 -0.000 0.000 0.306 775 V C -0.508 175.603 176.094 0.030 0.000 1.045 775 V CA -0.797 61.528 62.300 0.041 0.000 0.905 775 V CB 1.637 33.491 31.823 0.051 0.000 0.997 775 V HN 0.634 nan 8.190 nan 0.000 0.436 776 A N 4.336 127.170 122.820 0.023 0.000 2.303 776 A HA 0.833 5.153 4.320 -0.000 0.000 0.320 776 A C -0.589 177.004 177.584 0.015 0.000 1.192 776 A CA -0.625 51.421 52.037 0.015 0.000 0.821 776 A CB 1.381 20.387 19.000 0.010 0.000 1.188 776 A HN 1.339 nan 8.150 nan 0.000 0.492 777 V N 2.672 122.593 119.914 0.011 0.000 2.384 777 V HA 0.275 4.395 4.120 -0.000 0.000 0.287 777 V C 0.356 176.453 176.094 0.006 0.000 1.020 777 V CA -0.517 61.790 62.300 0.012 0.000 0.850 777 V CB 1.469 33.300 31.823 0.013 0.000 0.987 777 V HN 0.996 nan 8.190 nan 0.000 0.436 778 E N 3.956 124.161 120.200 0.007 0.000 1.865 778 E HA 0.160 4.509 4.350 -0.000 0.000 0.269 778 E C 0.880 177.483 176.600 0.004 0.000 1.177 778 E CA -0.285 56.118 56.400 0.004 0.000 0.932 778 E CB 0.857 30.560 29.700 0.005 0.000 1.066 778 E HN 0.567 nan 8.360 nan 0.000 0.405 779 V N 4.415 124.330 119.914 0.001 0.000 2.357 779 V HA -0.404 3.716 4.120 -0.000 0.000 0.257 779 V C 2.241 178.336 176.094 0.002 0.000 1.082 779 V CA 2.369 64.669 62.300 0.000 0.000 1.078 779 V CB -0.898 30.922 31.823 -0.004 0.000 0.663 779 V HN 0.801 nan 8.190 nan 0.000 0.455 780 A N 0.280 123.101 122.820 0.002 0.000 1.898 780 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 780 A C 2.441 180.029 177.584 0.005 0.000 1.181 780 A CA 2.678 54.716 52.037 0.003 0.000 0.620 780 A CB -0.666 18.335 19.000 0.001 0.000 0.819 780 A HN 0.679 nan 8.150 nan 0.000 0.442 781 T N -5.975 108.583 114.554 0.006 0.000 3.038 781 T HA 0.441 4.791 4.350 -0.000 0.000 0.244 781 T C 1.450 176.158 174.700 0.013 0.000 1.016 781 T CA 1.196 63.302 62.100 0.009 0.000 1.098 781 T CB 0.313 69.186 68.868 0.008 0.000 0.954 781 T HN 1.703 nan 8.240 nan 0.000 0.469 782 G N 1.557 110.365 108.800 0.014 0.000 2.163 782 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.213 782 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.213 782 G C -0.145 174.768 174.900 0.021 0.000 0.991 782 G CA -0.275 44.837 45.100 0.019 0.000 0.653 782 G HN 0.634 nan 8.290 nan 0.000 0.518 783 K N 1.172 121.582 120.400 0.017 0.000 2.349 783 K HA 0.579 4.899 4.320 -0.000 0.000 0.289 783 K C 0.609 177.219 176.600 0.017 0.000 1.064 783 K CA 0.484 56.781 56.287 0.016 0.000 0.947 783 K CB 1.210 33.716 32.500 0.011 0.000 1.007 783 K HN 0.491 nan 8.250 nan 0.000 0.478 784 A N 2.892 125.725 122.820 0.022 0.000 2.303 784 A HA 0.496 4.816 4.320 -0.000 0.000 0.317 784 A C -0.331 177.265 177.584 0.020 0.000 1.149 784 A CA -0.406 51.645 52.037 0.024 0.000 0.822 784 A CB 1.000 20.021 19.000 0.035 0.000 1.131 784 A HN 0.570 nan 8.150 nan 0.000 0.493 785 T N 1.640 116.206 114.554 0.020 0.000 3.050 785 T HA 0.343 4.692 4.350 -0.000 0.000 0.310 785 T C -0.667 174.046 174.700 0.022 0.000 0.978 785 T CA -0.329 61.781 62.100 0.017 0.000 1.013 785 T CB 1.027 69.902 68.868 0.010 0.000 1.000 785 T HN 0.470 nan 8.240 nan 0.000 0.447 786 V N 4.660 124.589 119.914 0.025 0.000 2.425 786 V HA 0.080 4.200 4.120 -0.000 0.000 0.276 786 V C 1.325 177.435 176.094 0.027 0.000 1.017 786 V CA 0.475 62.794 62.300 0.032 0.000 1.062 786 V CB 0.227 32.071 31.823 0.035 0.000 0.997 786 V HN 0.900 nan 8.190 nan 0.000 0.476 787 E N 3.647 123.864 120.200 0.028 0.000 2.400 787 E HA 0.131 4.481 4.350 -0.000 0.000 0.195 787 E C 0.593 177.210 176.600 0.028 0.000 1.012 787 E CA 0.161 56.574 56.400 0.023 0.000 0.875 787 E CB 0.777 30.489 29.700 0.019 0.000 0.859 787 E HN 0.635 nan 8.360 nan 0.000 0.498 788 K N 0.614 121.037 120.400 0.037 0.000 2.562 788 K HA 0.385 4.705 4.320 -0.000 0.000 0.267 788 K C -1.845 174.788 176.600 0.055 0.000 0.938 788 K CA -0.358 55.955 56.287 0.043 0.000 0.840 788 K CB 1.703 34.230 32.500 0.045 0.000 1.390 788 K HN -0.132 nan 8.250 nan 0.000 0.428 789 M N 3.465 123.098 119.600 0.055 0.000 2.271 789 M HA 0.378 4.857 4.480 -0.000 0.000 0.285 789 M C -1.395 174.925 176.300 0.033 0.000 1.059 789 M CA -1.072 54.267 55.300 0.066 0.000 0.940 789 M CB 2.271 34.923 32.600 0.087 0.000 1.636 789 M HN 0.208 nan 8.290 nan 0.000 0.460 790 V N 1.758 121.670 119.914 -0.004 0.000 2.540 790 V HA 0.544 4.663 4.120 -0.000 0.000 0.302 790 V C -1.154 174.850 176.094 -0.150 0.000 1.035 790 V CA -0.711 61.503 62.300 -0.143 0.000 0.873 790 V CB 2.055 33.706 31.823 -0.288 0.000 0.992 790 V HN 1.024 nan 8.190 nan 0.000 0.428 791 C N 6.186 125.352 119.300 -0.223 0.000 2.383 791 C HA 0.725 5.184 4.460 -0.000 0.000 0.330 791 C C -0.417 174.343 174.990 -0.384 0.000 1.168 791 C CA -0.302 58.543 59.018 -0.288 0.000 1.374 791 C CB 0.333 27.975 27.740 -0.164 0.000 2.014 791 C HN 0.701 nan 8.230 nan 0.000 0.439 792 V N 6.017 125.689 119.914 -0.403 0.000 2.461 792 V HA 0.729 4.849 4.120 -0.000 0.000 0.275 792 V C 0.740 176.638 176.094 -0.327 0.000 1.047 792 V CA 0.357 62.455 62.300 -0.337 0.000 0.955 792 V CB 1.045 32.709 31.823 -0.265 0.000 0.988 792 V HN 1.122 nan 8.190 nan 0.000 0.471 793 A N 3.723 126.398 122.820 -0.241 0.000 2.454 793 A HA 0.754 5.073 4.320 -0.000 0.000 0.302 793 A C -1.126 176.479 177.584 0.036 0.000 1.079 793 A CA -0.551 51.413 52.037 -0.122 0.000 0.731 793 A CB 1.806 20.740 19.000 -0.110 0.000 1.299 793 A HN 0.681 nan 8.150 nan 0.000 0.413 794 D N 1.967 122.431 120.400 0.107 0.000 2.440 794 D HA 0.422 5.061 4.640 -0.000 0.000 0.252 794 D C -0.132 176.295 176.300 0.212 0.000 1.180 794 D CA -0.129 53.976 54.000 0.175 0.000 0.894 794 D CB 0.859 41.768 40.800 0.182 0.000 1.111 794 D HN 0.564 nan 8.370 nan 0.000 0.544 795 I N 0.946 121.616 120.570 0.168 0.000 3.817 795 I HA 0.546 4.716 4.170 -0.000 0.000 0.325 795 I C 0.777 176.957 176.117 0.104 0.000 1.550 795 I CA -0.398 60.978 61.300 0.126 0.000 1.100 795 I CB 0.476 38.532 38.000 0.095 0.000 1.216 795 I HN 0.428 nan 8.210 nan 0.000 0.481 796 G N 2.315 111.188 108.800 0.123 0.000 2.553 796 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.242 796 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.242 796 G C -0.512 174.442 174.900 0.089 0.000 1.277 796 G CA -0.471 44.698 45.100 0.115 0.000 0.910 796 G HN 0.320 nan 8.290 nan 0.000 0.576 797 K N 0.156 120.638 120.400 0.137 0.000 2.237 797 K HA 0.477 4.797 4.320 -0.000 0.000 0.270 797 K C 0.686 177.298 176.600 0.020 0.000 1.015 797 K CA -0.293 56.085 56.287 0.151 0.000 0.949 797 K CB 0.660 33.380 32.500 0.365 0.000 0.976 797 K HN 0.470 nan 8.250 nan 0.000 0.472 798 I N 1.743 122.215 120.570 -0.164 0.000 2.371 798 I HA -0.006 4.164 4.170 -0.000 0.000 0.290 798 I C 1.674 177.339 176.117 -0.753 0.000 1.028 798 I CA -0.329 60.739 61.300 -0.387 0.000 1.345 798 I CB 1.139 38.864 38.000 -0.457 0.000 1.407 798 I HN 0.699 nan 8.210 nan 0.000 0.501 799 C N 6.069 124.843 119.300 -0.877 0.000 2.505 799 C HA 0.116 4.576 4.460 -0.000 0.000 0.279 799 C C 0.924 175.421 174.990 -0.821 0.000 1.316 799 C CA 0.410 58.583 59.018 -1.408 0.000 1.720 799 C CB -0.525 26.660 27.740 -0.924 0.000 2.050 799 C HN 0.846 nan 8.230 nan 0.000 0.493 800 N N 0.011 118.398 118.700 -0.520 0.000 2.500 800 N HA 0.184 4.924 4.740 -0.000 0.000 0.291 800 N C 0.005 175.324 175.510 -0.319 0.000 1.092 800 N CA -0.097 52.721 53.050 -0.385 0.000 0.890 800 N CB 1.508 39.806 38.487 -0.316 0.000 1.466 800 N HN 0.183 nan 8.380 nan 0.000 0.507 801 K N 3.479 123.701 120.400 -0.297 0.000 2.026 801 K HA 0.114 4.434 4.320 -0.000 0.000 0.208 801 K C 1.642 178.136 176.600 -0.176 0.000 1.048 801 K CA 1.356 57.496 56.287 -0.246 0.000 0.929 801 K CB -0.136 32.246 32.500 -0.196 0.000 0.713 801 K HN 0.638 nan 8.250 nan 0.000 0.439 802 L N -0.195 120.927 121.223 -0.168 0.000 2.083 802 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 802 L C 2.220 179.025 176.870 -0.109 0.000 1.083 802 L CA 0.892 55.660 54.840 -0.120 0.000 0.752 802 L CB -0.478 41.504 42.059 -0.129 0.000 0.899 802 L HN 0.029 nan 8.230 nan 0.000 0.433 803 V N -0.056 119.774 119.914 -0.141 0.000 2.244 803 V HA -0.235 3.885 4.120 -0.000 0.000 0.244 803 V C 2.539 178.572 176.094 -0.101 0.000 1.042 803 V CA 1.842 64.070 62.300 -0.119 0.000 1.006 803 V CB -0.371 31.364 31.823 -0.147 0.000 0.641 803 V HN 0.416 nan 8.190 nan 0.000 0.446 804 V N -1.420 118.417 119.914 -0.128 0.000 2.343 804 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 804 V C 2.129 178.185 176.094 -0.064 0.000 1.051 804 V CA 2.370 64.615 62.300 -0.092 0.000 1.036 804 V CB -0.977 30.753 31.823 -0.156 0.000 0.654 804 V HN 0.437 nan 8.190 nan 0.000 0.451 805 D N 1.802 122.142 120.400 -0.099 0.000 2.084 805 D HA -0.072 4.568 4.640 -0.000 0.000 0.194 805 D C 2.274 178.358 176.300 -0.359 0.000 0.990 805 D CA 2.113 55.969 54.000 -0.239 0.000 0.826 805 D CB -0.878 39.814 40.800 -0.180 0.000 0.971 805 D HN 0.568 nan 8.370 nan 0.000 0.453 806 G N 0.229 108.956 108.800 -0.122 0.000 2.470 806 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 806 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 806 G C 1.553 176.459 174.900 0.009 0.000 1.121 806 G CA 0.411 45.514 45.100 0.005 0.000 0.766 806 G HN 0.177 nan 8.290 nan 0.000 0.553 807 Q N -0.128 119.655 119.800 -0.029 0.000 2.137 807 Q HA 0.117 4.457 4.340 -0.000 0.000 0.198 807 Q C 2.671 178.678 176.000 0.013 0.000 0.960 807 Q CA 0.541 56.348 55.803 0.007 0.000 0.847 807 Q CB -0.035 28.703 28.738 0.000 0.000 0.915 807 Q HN 0.569 nan 8.270 nan 0.000 0.448 808 I N -0.263 120.278 120.570 -0.048 0.000 2.286 808 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 808 I C 1.896 178.038 176.117 0.041 0.000 1.104 808 I CA 0.829 62.108 61.300 -0.035 0.000 1.397 808 I CB -0.269 37.659 38.000 -0.121 0.000 1.072 808 I HN 0.081 nan 8.210 nan 0.000 0.417 809 Y N 1.119 121.436 120.300 0.028 0.000 2.114 809 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 809 Y C 2.655 178.557 175.900 0.002 0.000 1.143 809 Y CA 1.092 59.201 58.100 0.015 0.000 1.135 809 Y CB -1.599 36.863 38.460 0.005 0.000 0.980 809 Y HN 0.117 nan 8.280 nan 0.000 0.499 810 G N -0.615 108.284 108.800 0.165 0.000 2.440 810 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 810 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 810 G C 2.083 177.008 174.900 0.041 0.000 1.154 810 G CA 1.055 46.199 45.100 0.073 0.000 0.767 810 G HN 0.555 nan 8.290 nan 0.000 0.552 811 G N 0.889 109.723 108.800 0.056 0.000 2.421 811 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 811 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 811 G C 1.823 176.715 174.900 -0.013 0.000 1.171 811 G CA 0.778 45.890 45.100 0.021 0.000 0.775 811 G HN 0.424 nan 8.290 nan 0.000 0.543 812 L N 0.764 122.010 121.223 0.038 0.000 2.083 812 L HA -0.077 4.262 4.340 -0.000 0.000 0.209 812 L C 3.409 180.278 176.870 -0.001 0.000 1.083 812 L CA 0.990 55.846 54.840 0.026 0.000 0.752 812 L CB -0.422 41.705 42.059 0.113 0.000 0.899 812 L HN 0.306 nan 8.230 nan 0.000 0.433 813 A N -0.297 122.535 122.820 0.020 0.000 1.877 813 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 813 A C 2.231 179.788 177.584 -0.045 0.000 1.186 813 A CA 1.637 53.681 52.037 0.012 0.000 0.620 813 A CB -0.496 18.517 19.000 0.022 0.000 0.822 813 A HN 0.488 nan 8.150 nan 0.000 0.443 814 Q N -0.793 118.951 119.800 -0.094 0.000 2.224 814 Q HA -0.078 4.262 4.340 -0.000 0.000 0.203 814 Q C 2.119 178.002 176.000 -0.195 0.000 0.970 814 Q CA 0.899 56.613 55.803 -0.149 0.000 0.865 814 Q CB -0.394 28.246 28.738 -0.162 0.000 0.922 814 Q HN 0.703 nan 8.270 nan 0.000 0.445 815 G N 0.328 109.019 108.800 -0.181 0.000 2.422 815 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 815 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 815 G C 1.483 176.291 174.900 -0.153 0.000 1.146 815 G CA 0.771 45.740 45.100 -0.218 0.000 0.769 815 G HN 0.205 nan 8.290 nan 0.000 0.547 816 V N 1.381 121.240 119.914 -0.092 0.000 2.307 816 V HA -0.028 4.092 4.120 -0.000 0.000 0.245 816 V C 3.129 179.179 176.094 -0.074 0.000 1.045 816 V CA 1.957 64.226 62.300 -0.053 0.000 1.024 816 V CB -0.971 30.846 31.823 -0.011 0.000 0.651 816 V HN 0.428 nan 8.190 nan 0.000 0.449 817 G N -0.119 108.627 108.800 -0.090 0.000 2.432 817 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.219 817 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.219 817 G C 1.576 176.379 174.900 -0.161 0.000 1.135 817 G CA 1.079 46.120 45.100 -0.099 0.000 0.767 817 G HN 0.444 nan 8.290 nan 0.000 0.550 818 L N 1.166 122.243 121.223 -0.242 0.000 2.093 818 L HA 0.236 4.576 4.340 -0.000 0.000 0.208 818 L C 2.877 179.575 176.870 -0.288 0.000 1.085 818 L CA 2.156 56.783 54.840 -0.354 0.000 0.755 818 L CB -0.639 41.083 42.059 -0.561 0.000 0.904 818 L HN 0.201 nan 8.230 nan 0.000 0.435 819 A N -0.865 121.844 122.820 -0.185 0.000 1.874 819 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 819 A C 2.120 179.659 177.584 -0.075 0.000 1.189 819 A CA 1.612 53.583 52.037 -0.110 0.000 0.615 819 A CB -0.532 18.461 19.000 -0.013 0.000 0.830 819 A HN 0.467 nan 8.150 nan 0.000 0.443 820 L N -0.718 120.471 121.223 -0.057 0.000 2.357 820 L HA 0.071 4.411 4.340 -0.000 0.000 0.211 820 L C 2.195 179.047 176.870 -0.030 0.000 1.075 820 L CA 1.209 56.033 54.840 -0.027 0.000 0.830 820 L CB 0.148 42.202 42.059 -0.008 0.000 0.996 820 L HN 0.536 nan 8.230 nan 0.000 0.467 821 S N -2.830 112.838 115.700 -0.052 0.000 2.692 821 S HA 0.174 4.644 4.470 -0.000 0.000 0.269 821 S C 0.487 175.047 174.600 -0.067 0.000 1.080 821 S CA -0.574 57.602 58.200 -0.040 0.000 1.058 821 S CB 0.290 63.480 63.200 -0.016 0.000 0.982 821 S HN 0.173 nan 8.310 nan 0.000 0.534 822 E N 1.599 121.736 120.200 -0.104 0.000 2.373 822 E HA 0.591 4.941 4.350 -0.000 0.000 0.263 822 E C -1.100 175.391 176.600 -0.181 0.000 1.073 822 E CA -0.190 56.131 56.400 -0.132 0.000 0.894 822 E CB 0.496 30.117 29.700 -0.131 0.000 1.008 822 E HN 0.259 nan 8.360 nan 0.000 0.420 823 D N 0.300 120.562 120.400 -0.231 0.000 2.884 823 D HA 0.070 4.709 4.640 -0.000 0.000 0.255 823 D C -2.117 174.003 176.300 -0.300 0.000 1.142 823 D CA -0.555 53.289 54.000 -0.260 0.000 0.726 823 D CB 0.581 41.226 40.800 -0.258 0.000 1.436 823 D HN 0.381 nan 8.370 nan 0.000 0.441 824 Y N 2.179 122.363 120.300 -0.193 0.000 2.705 824 Y HA 0.435 4.984 4.550 -0.000 0.000 0.355 824 Y C 0.143 176.123 175.900 0.134 0.000 1.039 824 Y CA -0.254 57.857 58.100 0.018 0.000 1.233 824 Y CB 0.971 39.472 38.460 0.067 0.000 1.103 824 Y HN 0.434 nan 8.280 nan 0.000 0.624 825 E N 1.309 121.587 120.200 0.131 0.000 2.419 825 E HA 0.084 4.434 4.350 -0.000 0.000 0.197 825 E C -0.445 176.209 176.600 0.090 0.000 0.920 825 E CA 0.406 56.871 56.400 0.108 0.000 1.085 825 E CB 0.222 30.029 29.700 0.180 0.000 1.084 825 E HN 0.438 nan 8.360 nan 0.000 0.490 826 D N 1.257 121.639 120.400 -0.030 0.000 2.336 826 D HA 0.045 4.685 4.640 -0.000 0.000 0.249 826 D C 1.270 177.362 176.300 -0.346 0.000 1.213 826 D CA 0.004 53.827 54.000 -0.294 0.000 0.870 826 D CB 0.781 41.267 40.800 -0.523 0.000 1.076 826 D HN 0.240 nan 8.370 nan 0.000 0.483 827 L N 3.298 124.325 121.223 -0.327 0.000 2.127 827 L HA -0.189 4.151 4.340 -0.000 0.000 0.211 827 L C 2.147 178.886 176.870 -0.219 0.000 1.089 827 L CA 1.116 55.731 54.840 -0.375 0.000 0.757 827 L CB -0.159 41.547 42.059 -0.589 0.000 0.899 827 L HN 0.357 nan 8.230 nan 0.000 0.434 828 K N -0.154 120.132 120.400 -0.190 0.000 2.141 828 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 828 K C 2.116 178.673 176.600 -0.071 0.000 1.045 828 K CA 0.396 56.629 56.287 -0.091 0.000 0.971 828 K CB 0.121 32.574 32.500 -0.078 0.000 0.795 828 K HN 0.112 nan 8.250 nan 0.000 0.459 829 K N 0.394 120.686 120.400 -0.181 0.000 2.147 829 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 829 K C 0.800 177.369 176.600 -0.052 0.000 1.049 829 K CA 1.231 57.406 56.287 -0.186 0.000 0.936 829 K CB -0.043 32.246 32.500 -0.351 0.000 0.722 829 K HN 0.348 nan 8.250 nan 0.000 0.446 830 H N -0.925 118.174 119.070 0.049 0.000 2.524 830 H HA 0.093 4.649 4.556 -0.000 0.000 0.299 830 H C 0.828 176.324 175.328 0.280 0.000 1.074 830 H CA -0.291 55.842 56.048 0.141 0.000 1.115 830 H CB 0.471 30.297 29.762 0.105 0.000 1.522 830 H HN 0.121 nan 8.280 nan 0.000 0.543 831 S N -0.386 115.504 115.700 0.316 0.000 2.556 831 S HA 0.020 4.489 4.470 -0.000 0.000 0.216 831 S C 0.924 175.708 174.600 0.307 0.000 0.970 831 S CA -0.177 58.221 58.200 0.331 0.000 0.912 831 S CB 0.050 63.398 63.200 0.247 0.000 0.790 831 S HN 0.333 nan 8.310 nan 0.000 0.504 832 T N -2.269 112.452 114.554 0.277 0.000 2.906 832 T HA 0.546 4.896 4.350 -0.000 0.000 0.295 832 T C 0.747 175.563 174.700 0.193 0.000 1.061 832 T CA -0.851 61.389 62.100 0.233 0.000 1.000 832 T CB 1.609 70.555 68.868 0.129 0.000 1.103 832 T HN 0.019 nan 8.240 nan 0.000 0.486 833 M N 1.824 121.448 119.600 0.039 0.000 2.151 833 M HA -0.072 4.408 4.480 -0.000 0.000 0.256 833 M C 2.252 178.571 176.300 0.032 0.000 1.072 833 M CA 2.885 58.154 55.300 -0.051 0.000 1.090 833 M CB -1.032 31.350 32.600 -0.364 0.000 1.294 833 M HN 0.948 nan 8.290 nan 0.000 0.415 834 G N -1.429 107.381 108.800 0.017 0.000 2.432 834 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.219 834 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.219 834 G C 1.358 176.306 174.900 0.080 0.000 1.135 834 G CA 0.840 45.967 45.100 0.045 0.000 0.767 834 G HN 0.656 nan 8.290 nan 0.000 0.550 835 G N 1.157 110.023 108.800 0.109 0.000 2.421 835 G HA2 0.033 3.992 3.960 -0.000 0.000 0.216 835 G HA3 0.033 3.992 3.960 -0.000 0.000 0.216 835 G C 1.948 176.984 174.900 0.226 0.000 1.171 835 G CA 1.360 46.557 45.100 0.163 0.000 0.775 835 G HN 0.639 nan 8.290 nan 0.000 0.543 836 A N -0.164 122.774 122.820 0.197 0.000 2.216 836 A HA 0.421 4.740 4.320 -0.000 0.000 0.214 836 A C 1.900 179.494 177.584 0.016 0.000 1.160 836 A CA 1.429 53.522 52.037 0.093 0.000 0.725 836 A CB -0.616 18.466 19.000 0.137 0.000 0.784 836 A HN 1.761 nan 8.150 nan 0.000 0.472 837 G N -0.597 108.234 108.800 0.052 0.000 2.248 837 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.252 837 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.252 837 G C 0.089 175.000 174.900 0.019 0.000 1.085 837 G CA 0.139 45.255 45.100 0.028 0.000 0.845 837 G HN 0.874 nan 8.290 nan 0.000 0.494 838 I N 0.860 121.452 120.570 0.037 0.000 2.648 838 I HA 0.349 4.519 4.170 -0.000 0.000 0.284 838 I C -1.483 174.669 176.117 0.060 0.000 1.153 838 I CA -1.934 59.390 61.300 0.039 0.000 1.426 838 I CB 0.903 38.933 38.000 0.051 0.000 1.381 838 I HN 0.021 nan 8.210 nan 0.000 0.571 839 P HA 0.109 nan 4.420 nan 0.000 0.271 839 P C -1.102 176.309 177.300 0.186 0.000 1.226 839 P CA -0.238 62.926 63.100 0.107 0.000 0.765 839 P CB 0.742 32.511 31.700 0.114 0.000 0.835 840 S N 2.653 118.407 115.700 0.090 0.000 2.672 840 S HA 0.268 4.738 4.470 -0.000 0.000 0.276 840 S C 1.287 175.752 174.600 -0.224 0.000 1.207 840 S CA -0.716 57.496 58.200 0.019 0.000 1.002 840 S CB 0.493 63.683 63.200 -0.016 0.000 0.998 840 S HN 0.419 nan 8.310 nan 0.000 0.542 841 I N 1.039 121.225 120.570 -0.640 0.000 2.143 841 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 841 I C 1.977 177.881 176.117 -0.355 0.000 1.068 841 I CA 1.719 62.449 61.300 -0.951 0.000 1.326 841 I CB -0.117 37.487 38.000 -0.660 0.000 1.028 841 I HN 0.623 nan 8.210 nan 0.000 0.412 842 K N -0.021 120.265 120.400 -0.191 0.000 2.360 842 K HA -0.132 4.188 4.320 -0.000 0.000 0.201 842 K C 1.899 178.463 176.600 -0.059 0.000 1.046 842 K CA 1.296 57.526 56.287 -0.096 0.000 0.945 842 K CB -0.325 32.131 32.500 -0.072 0.000 0.750 842 K HN 0.513 nan 8.250 nan 0.000 0.464 843 M N 0.277 119.845 119.600 -0.054 0.000 2.492 843 M HA -0.006 4.474 4.480 -0.000 0.000 0.262 843 M C 0.149 176.458 176.300 0.015 0.000 1.090 843 M CA 0.618 55.913 55.300 -0.008 0.000 1.110 843 M CB 0.295 32.902 32.600 0.013 0.000 1.407 843 M HN -0.146 nan 8.290 nan 0.000 0.470 844 I N 1.036 121.618 120.570 0.020 0.000 2.359 844 I HA 0.336 4.506 4.170 -0.000 0.000 0.294 844 I C -2.334 173.800 176.117 0.029 0.000 0.987 844 I CA -3.119 58.217 61.300 0.060 0.000 1.225 844 I CB 0.288 38.389 38.000 0.168 0.000 1.366 844 I HN -0.205 nan 8.210 nan 0.000 0.466 845 P HA 0.109 nan 4.420 nan 0.000 0.271 845 P C 0.381 177.681 177.300 0.000 0.000 1.216 845 P CA -0.007 63.101 63.100 0.014 0.000 0.771 845 P CB 0.938 32.651 31.700 0.022 0.000 0.864 846 D N 1.182 121.577 120.400 -0.008 0.000 2.269 846 D HA -0.144 4.496 4.640 -0.000 0.000 0.208 846 D C 0.096 176.376 176.300 -0.032 0.000 0.963 846 D CA 0.814 54.799 54.000 -0.025 0.000 0.864 846 D CB -0.196 40.596 40.800 -0.014 0.000 0.936 846 D HN 0.171 nan 8.370 nan 0.000 0.505 847 D N 0.386 120.781 120.400 -0.008 0.000 2.494 847 D HA 0.202 4.841 4.640 -0.000 0.000 0.217 847 D C -0.683 175.628 176.300 0.018 0.000 1.153 847 D CA -0.188 53.816 54.000 0.007 0.000 0.954 847 D CB -0.353 40.459 40.800 0.020 0.000 1.034 847 D HN 0.228 nan 8.370 nan 0.000 0.518 848 I N 1.893 122.470 120.570 0.012 0.000 2.545 848 I HA 0.386 4.555 4.170 -0.000 0.000 0.292 848 I C -0.016 176.164 176.117 0.105 0.000 1.040 848 I CA -0.837 60.498 61.300 0.059 0.000 1.068 848 I CB 2.407 40.445 38.000 0.065 0.000 1.251 848 I HN 0.102 nan 8.210 nan 0.000 0.424 849 E N 5.833 126.078 120.200 0.076 0.000 2.314 849 E HA 0.661 5.011 4.350 -0.000 0.000 0.272 849 E C -1.665 174.886 176.600 -0.081 0.000 0.884 849 E CA -0.633 55.785 56.400 0.030 0.000 0.753 849 E CB 2.753 32.446 29.700 -0.011 0.000 1.213 849 E HN 0.438 nan 8.360 nan 0.000 0.432 850 I N 2.563 123.052 120.570 -0.135 0.000 2.509 850 I HA 0.451 4.621 4.170 -0.000 0.000 0.293 850 I C -0.917 174.962 176.117 -0.396 0.000 1.020 850 I CA -1.135 59.959 61.300 -0.344 0.000 1.088 850 I CB 2.061 39.762 38.000 -0.498 0.000 1.267 850 I HN 0.185 nan 8.210 nan 0.000 0.430 851 V N 5.732 125.367 119.914 -0.465 0.000 2.483 851 V HA 0.375 4.495 4.120 -0.000 0.000 0.297 851 V C -1.065 174.818 176.094 -0.350 0.000 1.027 851 V CA -0.676 61.444 62.300 -0.302 0.000 0.855 851 V CB 1.488 33.203 31.823 -0.180 0.000 0.995 851 V HN 0.446 nan 8.190 nan 0.000 0.424 852 Y N 2.972 123.248 120.300 -0.040 0.000 2.330 852 Y HA 0.546 5.096 4.550 -0.000 0.000 0.336 852 Y C 0.243 176.136 175.900 -0.011 0.000 1.036 852 Y CA -0.818 57.261 58.100 -0.034 0.000 1.125 852 Y CB 1.944 40.385 38.460 -0.032 0.000 1.194 852 Y HN 0.373 nan 8.280 nan 0.000 0.469 853 V N 4.086 124.089 119.914 0.148 0.000 2.275 853 V HA 0.144 4.264 4.120 -0.000 0.000 0.272 853 V C -0.223 175.936 176.094 0.110 0.000 1.028 853 V CA -0.883 61.475 62.300 0.097 0.000 0.810 853 V CB 0.522 32.374 31.823 0.049 0.000 1.043 853 V HN 0.792 nan 8.190 nan 0.000 0.453 854 E N 2.730 122.992 120.200 0.103 0.000 2.467 854 E HA 0.090 4.440 4.350 -0.000 0.000 0.321 854 E C 0.111 176.761 176.600 0.083 0.000 1.388 854 E CA -0.169 56.284 56.400 0.088 0.000 1.508 854 E CB -0.048 29.692 29.700 0.068 0.000 1.250 854 E HN 0.583 nan 8.360 nan 0.000 0.500 855 T N 4.067 118.672 114.554 0.085 0.000 2.814 855 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 855 T C -1.917 172.839 174.700 0.093 0.000 0.956 855 T CA -1.318 60.828 62.100 0.076 0.000 1.123 855 T CB 0.680 69.586 68.868 0.063 0.000 0.902 855 T HN 0.230 nan 8.240 nan 0.000 0.528 856 P HA 0.278 nan 4.420 nan 0.000 0.277 856 P C -0.663 176.691 177.300 0.090 0.000 1.240 856 P CA -0.772 62.384 63.100 0.094 0.000 0.798 856 P CB 0.818 32.569 31.700 0.084 0.000 0.979 857 R N 2.425 122.979 120.500 0.090 0.000 2.265 857 R HA 0.239 4.579 4.340 -0.000 0.000 0.319 857 R C 1.386 177.718 176.300 0.053 0.000 1.006 857 R CA -0.639 55.511 56.100 0.083 0.000 0.880 857 R CB 0.706 31.058 30.300 0.086 0.000 1.077 857 R HN 0.509 nan 8.270 nan 0.000 0.454 858 K N 0.995 121.430 120.400 0.059 0.000 2.063 858 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 858 K C 0.288 176.911 176.600 0.038 0.000 1.048 858 K CA 1.497 57.811 56.287 0.045 0.000 0.928 858 K CB 0.291 32.825 32.500 0.056 0.000 0.713 858 K HN 0.476 nan 8.250 nan 0.000 0.442 859 D N -0.077 120.362 120.400 0.065 0.000 2.339 859 D HA 0.038 4.678 4.640 -0.000 0.000 0.217 859 D C 0.610 176.875 176.300 -0.058 0.000 1.050 859 D CA 0.245 54.302 54.000 0.094 0.000 0.856 859 D CB 0.420 41.355 40.800 0.225 0.000 0.922 859 D HN 0.148 nan 8.370 nan 0.000 0.518 860 G N 1.955 110.703 108.800 -0.086 0.000 2.412 860 G HA2 0.378 4.338 3.960 -0.000 0.000 0.318 860 G HA3 0.378 4.338 3.960 -0.000 0.000 0.318 860 G C -2.609 172.130 174.900 -0.269 0.000 1.146 860 G CA -1.249 43.753 45.100 -0.163 0.000 0.882 860 G HN -0.171 nan 8.290 nan 0.000 0.501 861 P HA 0.101 nan 4.420 nan 0.000 0.269 861 P C -0.318 176.702 177.300 -0.467 0.000 1.252 861 P CA 0.222 62.969 63.100 -0.588 0.000 0.780 861 P CB -0.203 31.220 31.700 -0.461 0.000 0.829 862 F N 2.149 121.926 119.950 -0.289 0.000 3.074 862 F HA -0.205 4.321 4.527 -0.000 0.000 0.289 862 F C 1.422 177.175 175.800 -0.078 0.000 0.863 862 F CA 0.688 58.481 58.000 -0.344 0.000 1.121 862 F CB -2.554 35.884 39.000 -0.937 0.000 1.169 862 F HN 0.626 nan 8.300 nan 0.000 0.570 863 G N -0.529 108.295 108.800 0.040 0.000 2.176 863 G HA2 0.047 4.007 3.960 -0.000 0.000 0.252 863 G HA3 0.047 4.007 3.960 -0.000 0.000 0.252 863 G C 0.154 175.152 174.900 0.162 0.000 1.024 863 G CA 0.152 45.309 45.100 0.094 0.000 0.755 863 G HN 1.553 nan 8.290 nan 0.000 0.507 864 A N -0.972 121.967 122.820 0.200 0.000 2.294 864 A HA 0.950 5.270 4.320 -0.000 0.000 0.330 864 A C 0.462 178.112 177.584 0.109 0.000 1.133 864 A CA 0.639 52.808 52.037 0.220 0.000 0.836 864 A CB 1.718 20.955 19.000 0.394 0.000 1.190 864 A HN 1.364 nan 8.150 nan 0.000 0.492 865 S N -0.863 114.890 115.700 0.089 0.000 2.810 865 S HA 0.759 5.229 4.470 -0.000 0.000 0.315 865 S C 0.508 175.130 174.600 0.036 0.000 1.138 865 S CA 0.033 58.265 58.200 0.053 0.000 0.889 865 S CB 1.198 64.443 63.200 0.074 0.000 1.236 865 S HN 1.434 nan 8.310 nan 0.000 0.548 866 G N -0.309 108.497 108.800 0.011 0.000 2.621 866 G HA2 0.477 4.437 3.960 -0.000 0.000 0.271 866 G HA3 0.477 4.437 3.960 -0.000 0.000 0.271 866 G C 0.293 175.208 174.900 0.025 0.000 1.236 866 G CA 0.215 45.322 45.100 0.012 0.000 0.958 866 G HN 0.929 nan 8.290 nan 0.000 0.512 867 V N -1.176 118.756 119.914 0.029 0.000 3.157 867 V HA 0.227 4.347 4.120 -0.000 0.000 0.253 867 V C 2.303 178.416 176.094 0.031 0.000 1.637 867 V CA 1.713 64.034 62.300 0.035 0.000 1.058 867 V CB -0.353 31.487 31.823 0.029 0.000 0.917 867 V HN 0.995 nan 8.190 nan 0.000 0.417 868 G N 0.843 109.659 108.800 0.026 0.000 2.783 868 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.225 868 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.225 868 G C 1.022 175.923 174.900 0.002 0.000 1.191 868 G CA 1.844 46.949 45.100 0.008 0.000 0.774 868 G HN 0.647 nan 8.290 nan 0.000 0.632 869 E N -0.352 119.848 120.200 0.001 0.000 2.474 869 E HA 0.250 4.600 4.350 -0.000 0.000 0.195 869 E C 2.140 178.704 176.600 -0.059 0.000 1.039 869 E CA -0.495 55.874 56.400 -0.052 0.000 0.881 869 E CB 0.127 29.754 29.700 -0.121 0.000 0.970 869 E HN 0.332 nan 8.360 nan 0.000 0.486 870 M N 2.417 122.026 119.600 0.016 0.000 2.132 870 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 870 M C -1.046 175.340 176.300 0.143 0.000 1.065 870 M CA 1.425 56.762 55.300 0.061 0.000 1.122 870 M CB -0.970 31.670 32.600 0.066 0.000 1.365 870 M HN -0.056 nan 8.290 nan 0.000 0.411 871 P HA -0.060 nan 4.420 nan 0.000 0.242 871 P C 1.033 178.336 177.300 0.005 0.000 1.197 871 P CA 0.802 64.011 63.100 0.182 0.000 0.765 871 P CB -0.186 31.584 31.700 0.117 0.000 0.936 872 L N 0.084 121.260 121.223 -0.079 0.000 2.959 872 L HA 0.192 4.532 4.340 -0.000 0.000 0.259 872 L C 1.820 178.547 176.870 -0.239 0.000 1.185 872 L CA 0.624 55.337 54.840 -0.212 0.000 0.998 872 L CB -0.887 41.049 42.059 -0.205 0.000 1.337 872 L HN -0.110 nan 8.230 nan 0.000 0.555 873 T N -2.813 111.645 114.554 -0.161 0.000 2.668 873 T HA 0.034 4.384 4.350 -0.000 0.000 0.262 873 T C 1.229 175.888 174.700 -0.068 0.000 1.045 873 T CA 0.943 62.973 62.100 -0.117 0.000 1.152 873 T CB -0.209 68.659 68.868 0.001 0.000 0.864 873 T HN 0.269 nan 8.240 nan 0.000 0.419 874 A N 1.301 123.969 122.820 -0.254 0.000 2.592 874 A HA 0.465 4.785 4.320 -0.000 0.000 0.290 874 A C -1.012 176.216 177.584 -0.594 0.000 0.998 874 A CA -0.390 51.449 52.037 -0.330 0.000 0.983 874 A CB 0.348 19.309 19.000 -0.066 0.000 1.240 874 A HN 0.438 nan 8.150 nan 0.000 0.535 875 P HA -0.204 nan 4.420 nan 0.000 0.220 875 P C 1.050 178.251 177.300 -0.166 0.000 1.148 875 P CA 1.516 64.205 63.100 -0.685 0.000 0.803 875 P CB -0.271 31.040 31.700 -0.649 0.000 0.782 876 H N 0.327 119.247 119.070 -0.250 0.000 2.389 876 H HA 0.139 4.695 4.556 -0.000 0.000 0.299 876 H C 1.909 177.285 175.328 0.079 0.000 1.081 876 H CA 1.259 57.239 56.048 -0.112 0.000 1.345 876 H CB -1.551 28.088 29.762 -0.206 0.000 1.393 876 H HN 0.060 nan 8.280 nan 0.000 0.520 877 A N 1.715 124.386 122.820 -0.249 0.000 1.972 877 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 877 A C 2.741 180.318 177.584 -0.011 0.000 1.169 877 A CA 1.890 53.874 52.037 -0.088 0.000 0.635 877 A CB -0.923 17.920 19.000 -0.261 0.000 0.810 877 A HN 0.602 nan 8.150 nan 0.000 0.446 878 A N 0.052 122.871 122.820 -0.002 0.000 1.873 878 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 878 A C 2.094 179.732 177.584 0.091 0.000 1.186 878 A CA 1.369 53.449 52.037 0.071 0.000 0.616 878 A CB -0.562 18.503 19.000 0.110 0.000 0.823 878 A HN 0.478 nan 8.150 nan 0.000 0.442 879 I N 0.086 120.704 120.570 0.079 0.000 2.163 879 I HA -0.245 3.924 4.170 -0.000 0.000 0.243 879 I C 2.138 178.326 176.117 0.117 0.000 1.085 879 I CA 0.952 62.305 61.300 0.088 0.000 1.347 879 I CB -0.331 37.711 38.000 0.069 0.000 1.044 879 I HN 0.231 nan 8.210 nan 0.000 0.408 880 I N 0.973 121.634 120.570 0.151 0.000 2.226 880 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 880 I C 2.187 178.407 176.117 0.172 0.000 1.100 880 I CA 1.595 63.010 61.300 0.192 0.000 1.374 880 I CB -1.554 36.636 38.000 0.317 0.000 1.057 880 I HN 0.330 nan 8.210 nan 0.000 0.413 881 N N 1.127 119.908 118.700 0.135 0.000 2.188 881 N HA -0.088 4.651 4.740 -0.000 0.000 0.184 881 N C 2.009 177.633 175.510 0.190 0.000 1.018 881 N CA 1.387 54.526 53.050 0.149 0.000 0.858 881 N CB -0.593 37.958 38.487 0.106 0.000 0.989 881 N HN 0.405 nan 8.380 nan 0.000 0.426 882 G N 1.492 110.384 108.800 0.153 0.000 2.421 882 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 882 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 882 G C 1.640 176.613 174.900 0.121 0.000 1.171 882 G CA 0.373 45.554 45.100 0.134 0.000 0.775 882 G HN 0.253 nan 8.290 nan 0.000 0.543 883 I N -0.664 119.982 120.570 0.127 0.000 2.163 883 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 883 I C 2.477 178.661 176.117 0.111 0.000 1.085 883 I CA 1.469 62.834 61.300 0.108 0.000 1.347 883 I CB -0.342 37.729 38.000 0.119 0.000 1.044 883 I HN 0.251 nan 8.210 nan 0.000 0.408 884 Y N 1.990 122.331 120.300 0.068 0.000 2.145 884 Y HA -0.313 4.237 4.550 -0.000 0.000 0.286 884 Y C 2.485 178.419 175.900 0.057 0.000 1.145 884 Y CA 2.018 60.156 58.100 0.063 0.000 1.148 884 Y CB -0.572 37.929 38.460 0.068 0.000 0.981 884 Y HN 0.190 nan 8.280 nan 0.000 0.507 885 N N 0.296 119.075 118.700 0.133 0.000 2.205 885 N HA -0.220 4.520 4.740 -0.000 0.000 0.186 885 N C 1.766 177.247 175.510 -0.049 0.000 1.015 885 N CA 1.236 54.318 53.050 0.053 0.000 0.862 885 N CB -0.154 38.415 38.487 0.136 0.000 0.986 885 N HN 0.536 nan 8.380 nan 0.000 0.429 886 A N 0.423 123.222 122.820 -0.035 0.000 1.843 886 A HA -0.076 4.243 4.320 -0.000 0.000 0.213 886 A C 2.438 179.972 177.584 -0.082 0.000 1.202 886 A CA 1.390 53.403 52.037 -0.040 0.000 0.607 886 A CB -0.591 18.405 19.000 -0.006 0.000 0.847 886 A HN 0.689 nan 8.150 nan 0.000 0.445 887 C N -3.729 115.507 119.300 -0.107 0.000 3.336 887 C HA 0.617 5.076 4.460 -0.000 0.000 0.291 887 C C 1.715 176.588 174.990 -0.195 0.000 1.363 887 C CA 0.155 59.105 59.018 -0.114 0.000 1.737 887 C CB -0.124 27.585 27.740 -0.053 0.000 2.274 887 C HN 1.721 nan 8.230 nan 0.000 0.663 888 G N 1.133 109.683 108.800 -0.416 0.000 2.179 888 G HA2 0.065 4.025 3.960 -0.000 0.000 0.260 888 G HA3 0.065 4.025 3.960 -0.000 0.000 0.260 888 G C 0.247 175.000 174.900 -0.244 0.000 0.977 888 G CA 0.299 44.994 45.100 -0.676 0.000 0.641 888 G HN 1.641 nan 8.290 nan 0.000 0.533 889 A N 0.102 122.898 122.820 -0.040 0.000 2.362 889 A HA 0.740 5.060 4.320 -0.000 0.000 0.276 889 A C 0.535 178.296 177.584 0.295 0.000 1.153 889 A CA 0.514 52.628 52.037 0.129 0.000 0.813 889 A CB 0.366 19.412 19.000 0.077 0.000 1.081 889 A HN 0.852 nan 8.150 nan 0.000 0.507 890 R N 2.956 123.635 120.500 0.299 0.000 2.371 890 R HA 0.515 4.855 4.340 -0.000 0.000 0.312 890 R C -1.745 174.660 176.300 0.176 0.000 0.980 890 R CA -0.323 55.932 56.100 0.259 0.000 0.867 890 R CB 1.058 31.462 30.300 0.173 0.000 1.163 890 R HN 0.456 nan 8.270 nan 0.000 0.492 891 V N 6.282 126.316 119.914 0.199 0.000 2.364 891 V HA 0.328 4.448 4.120 -0.000 0.000 0.272 891 V C 0.859 177.137 176.094 0.307 0.000 1.036 891 V CA -0.630 61.796 62.300 0.210 0.000 0.880 891 V CB 1.342 33.282 31.823 0.195 0.000 0.991 891 V HN 0.796 nan 8.190 nan 0.000 0.460 892 R N 1.812 122.483 120.500 0.284 0.000 2.334 892 R HA 0.159 4.499 4.340 -0.000 0.000 0.212 892 R C 0.083 176.670 176.300 0.478 0.000 0.897 892 R CA -0.016 56.323 56.100 0.398 0.000 1.056 892 R CB 0.217 30.528 30.300 0.018 0.000 1.046 892 R HN 0.801 nan 8.270 nan 0.000 0.513 893 H N 0.936 120.141 119.070 0.226 0.000 2.718 893 H HA 0.361 4.917 4.556 -0.000 0.000 0.295 893 H C -0.477 174.920 175.328 0.116 0.000 1.051 893 H CA -0.308 55.843 56.048 0.173 0.000 1.260 893 H CB 0.309 30.100 29.762 0.049 0.000 1.403 893 H HN -0.107 nan 8.280 nan 0.000 0.488 894 L N 6.643 127.853 121.223 -0.021 0.000 2.436 894 L HA 0.342 4.682 4.340 -0.000 0.000 0.265 894 L C -1.951 174.885 176.870 -0.057 0.000 1.168 894 L CA -1.912 52.853 54.840 -0.126 0.000 0.815 894 L CB 0.834 42.647 42.059 -0.411 0.000 1.109 894 L HN 0.559 nan 8.230 nan 0.000 0.462 895 P HA 0.147 nan 4.420 nan 0.000 0.282 895 P C -1.045 176.265 177.300 0.017 0.000 1.259 895 P CA -0.679 62.387 63.100 -0.057 0.000 0.826 895 P CB 1.316 32.972 31.700 -0.074 0.000 1.064 896 A N 3.537 126.368 122.820 0.018 0.000 3.026 896 A HA 0.119 4.439 4.320 -0.000 0.000 0.272 896 A C 0.784 178.394 177.584 0.043 0.000 1.782 896 A CA -0.284 51.786 52.037 0.055 0.000 1.451 896 A CB -0.951 18.093 19.000 0.074 0.000 1.081 896 A HN 0.360 nan 8.150 nan 0.000 0.611 897 R N 1.243 121.768 120.500 0.043 0.000 2.738 897 R HA 0.128 4.468 4.340 -0.000 0.000 0.268 897 R C -1.630 174.693 176.300 0.038 0.000 1.062 897 R CA -1.438 54.684 56.100 0.037 0.000 1.158 897 R CB 0.121 30.446 30.300 0.042 0.000 1.046 897 R HN 0.247 nan 8.270 nan 0.000 0.493 898 P HA -0.281 nan 4.420 nan 0.000 0.216 898 P C 1.003 178.320 177.300 0.029 0.000 1.167 898 P CA 1.534 64.651 63.100 0.028 0.000 0.914 898 P CB 0.080 31.794 31.700 0.023 0.000 0.793 899 E N 0.461 120.677 120.200 0.027 0.000 2.204 899 E HA -0.223 4.126 4.350 -0.000 0.000 0.195 899 E C 1.864 178.480 176.600 0.027 0.000 0.990 899 E CA 1.403 57.817 56.400 0.023 0.000 0.821 899 E CB -0.832 28.880 29.700 0.019 0.000 0.750 899 E HN 0.293 nan 8.360 nan 0.000 0.477 900 K N 0.920 121.341 120.400 0.035 0.000 2.103 900 K HA -0.013 4.307 4.320 -0.000 0.000 0.204 900 K C 2.150 178.781 176.600 0.051 0.000 1.052 900 K CA 0.877 57.189 56.287 0.042 0.000 0.945 900 K CB 0.196 32.730 32.500 0.057 0.000 0.722 900 K HN -0.004 nan 8.250 nan 0.000 0.443 901 V N 1.433 121.378 119.914 0.052 0.000 2.427 901 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 901 V C 2.161 178.282 176.094 0.045 0.000 1.051 901 V CA 1.045 63.379 62.300 0.057 0.000 1.048 901 V CB -0.286 31.568 31.823 0.051 0.000 0.666 901 V HN 0.284 nan 8.190 nan 0.000 0.456 902 L N 0.094 121.337 121.223 0.034 0.000 2.005 902 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 902 L C 2.450 179.336 176.870 0.026 0.000 1.072 902 L CA 1.847 56.702 54.840 0.025 0.000 0.744 902 L CB -0.927 41.144 42.059 0.020 0.000 0.895 902 L HN 0.367 nan 8.230 nan 0.000 0.433 903 E N -0.747 119.468 120.200 0.025 0.000 2.070 903 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 903 E C 1.878 178.497 176.600 0.031 0.000 1.004 903 E CA 1.398 57.811 56.400 0.022 0.000 0.805 903 E CB -0.295 29.416 29.700 0.017 0.000 0.744 903 E HN 0.536 nan 8.360 nan 0.000 0.451 904 A N 0.659 123.505 122.820 0.044 0.000 2.239 904 A HA -0.007 4.313 4.320 -0.000 0.000 0.209 904 A C 1.190 178.812 177.584 0.063 0.000 1.171 904 A CA 0.111 52.185 52.037 0.061 0.000 0.768 904 A CB -0.388 18.663 19.000 0.085 0.000 0.790 904 A HN 0.174 nan 8.150 nan 0.000 0.478 905 M N 2.592 122.217 119.600 0.043 0.000 2.193 905 M HA 0.231 4.711 4.480 -0.000 0.000 0.342 905 M C -1.970 174.344 176.300 0.022 0.000 1.413 905 M CA -1.746 53.572 55.300 0.029 0.000 1.191 905 M CB 0.726 33.336 32.600 0.018 0.000 1.633 905 M HN 0.166 nan 8.290 nan 0.000 0.458 906 P HA 0.000 nan 4.420 nan 0.000 0.216 906 P CA 0.000 63.111 63.100 0.019 0.000 0.800 906 P CB 0.000 31.720 31.700 0.034 0.000 0.726