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 2zzk_1_A DATA FIRST_RESID 13 DATA SEQUENCE NVKQERRKKY ADLAIQGTNN SSIASKRSVE LLYLPKLSSA NNFQMDKNNK DATA SEQUENCE LLEYFKFFVP KKIKRSPCIN RGYWLRLFAI RSRLNSIIEQ TPQDKKIVVV DATA SEQUENCE NLGCGYDPLP FQLLDTNNIQ SQQYHDRVSF IDIDYSDLLK IKIELIKTIP DATA SEQUENCE ELSKIIGLSE DKDYVDDSNV DFLTTPKYLA RPCDLNDSKM FSTLLNECQL DATA SEQUENCE YDPNVVKVFV AEVSLAYMKP ERSDSIIEAT SKMENSHFII LEQLIPKGPF DATA SEQUENCE EPFSKQMLAH FKRNDSPLQS VLKYNTIESQ VQRFNKLGFA YVNVGDMFQL DATA SEQUENCE WESADEATKK ELLKVEPFDE LEEFHLFCHH YVLCHATNYK EFAFTQGFLF DATA SEQUENCE DRSISEINLT VDEDYQLLEC ECPINRKFGD VDVAGNDVFY MGGSNPYRVN DATA SEQUENCE EILQLSIHYD KIDMKNIEVS SSEVPVARMC HTFTTISRNN QLLLIGGRKA DATA SEQUENCE PHQGLSDNWI FDMKTREWSM IKSLSHTRFR HSACSLPDGN VLILGGVTEG DATA SEQUENCE PAMLLYNVTE EIFKDVTPKD EFFQNSLVSA GLEFDPVSKQ GIILGGGFMD DATA SEQUENCE QTTVSDKAII FKYDAENATE PITVIKKLQH PLFQRYGSQI KYITPRKLLI DATA SEQUENCE VGGTSPSGLF DRTNSIISLD PLSETLTSIP ISRRIWEDHS LMLAGFSLVS DATA SEQUENCE TXXGTIHIIG GGATCYGFGS VTNVGLKLIA IA 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 13 N HA 0.000 nan 4.740 nan 0.000 0.220 13 N C 0.000 175.507 175.510 -0.005 0.000 1.280 13 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 13 N CB 0.000 38.486 38.487 -0.001 0.000 1.341 14 V N 3.062 122.973 119.914 -0.006 0.000 2.343 14 V HA -0.191 3.928 4.120 -0.001 0.000 0.247 14 V C 2.338 178.427 176.094 -0.009 0.000 1.051 14 V CA 1.554 63.847 62.300 -0.011 0.000 1.036 14 V CB -0.433 31.379 31.823 -0.018 0.000 0.654 14 V HN 0.699 nan 8.190 nan 0.000 0.451 15 K N -0.097 120.301 120.400 -0.004 0.000 2.001 15 K HA -0.202 4.118 4.320 -0.001 0.000 0.208 15 K C 2.386 178.991 176.600 0.007 0.000 1.048 15 K CA 1.663 57.952 56.287 0.003 0.000 0.932 15 K CB -0.168 32.338 32.500 0.010 0.000 0.715 15 K HN 0.531 nan 8.250 nan 0.000 0.437 16 Q N 0.126 119.928 119.800 0.003 0.000 2.181 16 Q HA -0.179 4.160 4.340 -0.001 0.000 0.205 16 Q C 1.895 177.893 176.000 -0.003 0.000 0.980 16 Q CA 1.231 57.034 55.803 0.001 0.000 0.862 16 Q CB 0.040 28.776 28.738 -0.002 0.000 0.905 16 Q HN 0.331 nan 8.270 nan 0.000 0.429 17 E N 0.559 120.755 120.200 -0.007 0.000 2.072 17 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 17 E C 1.937 178.524 176.600 -0.021 0.000 0.985 17 E CA 0.716 57.105 56.400 -0.018 0.000 0.801 17 E CB -0.086 29.601 29.700 -0.021 0.000 0.750 17 E HN 0.258 nan 8.360 nan 0.000 0.452 18 R N 1.084 121.587 120.500 0.004 0.000 2.062 18 R HA -0.103 4.237 4.340 -0.001 0.000 0.231 18 R C 2.538 178.890 176.300 0.086 0.000 1.136 18 R CA 1.473 57.601 56.100 0.047 0.000 0.948 18 R CB -0.108 30.243 30.300 0.085 0.000 0.845 18 R HN -0.020 nan 8.270 nan 0.000 0.430 19 R N 0.744 121.283 120.500 0.065 0.000 2.115 19 R HA -0.265 4.074 4.340 -0.001 0.000 0.239 19 R C 2.139 178.468 176.300 0.047 0.000 1.133 19 R CA 2.433 58.571 56.100 0.063 0.000 0.935 19 R CB -0.289 30.025 30.300 0.023 0.000 0.853 19 R HN 0.028 nan 8.270 nan 0.000 0.433 20 K N 1.066 121.470 120.400 0.008 0.000 2.063 20 K HA -0.187 4.133 4.320 -0.001 0.000 0.208 20 K C 2.004 178.580 176.600 -0.040 0.000 1.048 20 K CA 2.063 58.342 56.287 -0.013 0.000 0.928 20 K CB -0.263 32.222 32.500 -0.024 0.000 0.713 20 K HN 0.178 nan 8.250 nan 0.000 0.442 21 K N -0.623 119.722 120.400 -0.093 0.000 2.001 21 K HA -0.216 4.103 4.320 -0.001 0.000 0.214 21 K C 1.870 178.316 176.600 -0.257 0.000 1.050 21 K CA 2.179 58.326 56.287 -0.234 0.000 0.934 21 K CB -0.354 31.904 32.500 -0.404 0.000 0.718 21 K HN 0.332 nan 8.250 nan 0.000 0.443 22 Y N -0.182 120.126 120.300 0.013 0.000 2.544 22 Y HA 0.064 4.614 4.550 -0.001 0.000 0.286 22 Y C 2.106 178.015 175.900 0.015 0.000 1.141 22 Y CA 0.282 58.398 58.100 0.027 0.000 1.299 22 Y CB 0.037 38.525 38.460 0.047 0.000 1.030 22 Y HN 0.219 nan 8.280 nan 0.000 0.543 23 A N 0.332 123.217 122.820 0.109 0.000 1.902 23 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 23 A C 1.729 179.324 177.584 0.018 0.000 1.181 23 A CA 2.165 54.232 52.037 0.050 0.000 0.623 23 A CB -0.552 18.461 19.000 0.022 0.000 0.818 23 A HN 0.288 nan 8.150 nan 0.000 0.443 24 D N -0.154 120.249 120.400 0.005 0.000 2.117 24 D HA -0.068 4.571 4.640 -0.001 0.000 0.198 24 D C 1.952 178.258 176.300 0.010 0.000 0.982 24 D CA 0.706 54.703 54.000 -0.005 0.000 0.828 24 D CB -0.271 40.516 40.800 -0.022 0.000 0.967 24 D HN 0.401 nan 8.370 nan 0.000 0.464 25 L N 0.510 121.755 121.223 0.036 0.000 2.042 25 L HA -0.190 4.149 4.340 -0.001 0.000 0.210 25 L C 2.410 179.314 176.870 0.057 0.000 1.076 25 L CA 1.212 56.099 54.840 0.078 0.000 0.749 25 L CB -0.463 41.698 42.059 0.171 0.000 0.893 25 L HN 0.014 nan 8.230 nan 0.000 0.432 26 A N 0.070 122.879 122.820 -0.019 0.000 1.978 26 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 26 A C 2.051 179.517 177.584 -0.196 0.000 1.170 26 A CA 1.380 53.236 52.037 -0.302 0.000 0.636 26 A CB -0.452 18.292 19.000 -0.426 0.000 0.810 26 A HN 0.329 nan 8.150 nan 0.000 0.448 27 I N -0.323 120.209 120.570 -0.063 0.000 2.286 27 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 27 I C 2.127 178.256 176.117 0.021 0.000 1.104 27 I CA 0.922 62.212 61.300 -0.017 0.000 1.397 27 I CB -1.616 36.382 38.000 -0.004 0.000 1.072 27 I HN 0.345 nan 8.210 nan 0.000 0.417 28 Q N 0.721 120.541 119.800 0.033 0.000 2.522 28 Q HA -0.094 4.245 4.340 -0.001 0.000 0.216 28 Q C 1.357 177.405 176.000 0.079 0.000 0.986 28 Q CA 1.091 56.925 55.803 0.051 0.000 0.901 28 Q CB -0.369 28.401 28.738 0.053 0.000 0.954 28 Q HN 0.609 nan 8.270 nan 0.000 0.502 29 G N -0.347 108.517 108.800 0.107 0.000 4.683 29 G HA2 0.214 4.173 3.960 -0.001 0.000 0.273 29 G HA3 0.214 4.173 3.960 -0.001 0.000 0.273 29 G C 0.651 175.664 174.900 0.190 0.000 1.065 29 G CA 0.337 45.536 45.100 0.166 0.000 0.837 29 G HN 0.299 nan 8.290 nan 0.000 0.526 30 T N -3.600 111.024 114.554 0.117 0.000 3.028 30 T HA 0.208 4.557 4.350 -0.001 0.000 0.250 30 T C 0.685 175.441 174.700 0.092 0.000 0.979 30 T CA -0.247 61.923 62.100 0.117 0.000 1.004 30 T CB 0.263 69.171 68.868 0.066 0.000 1.120 30 T HN 0.069 nan 8.240 nan 0.000 0.482 31 N N 2.225 120.965 118.700 0.066 0.000 2.525 31 N HA 0.245 4.985 4.740 -0.001 0.000 0.271 31 N C -0.101 175.447 175.510 0.062 0.000 1.194 31 N CA 0.130 53.207 53.050 0.046 0.000 0.964 31 N CB 0.078 38.582 38.487 0.029 0.000 1.126 31 N HN 0.337 nan 8.380 nan 0.000 0.452 32 N N -0.109 118.619 118.700 0.046 0.000 2.708 32 N HA -0.215 4.525 4.740 -0.001 0.000 0.251 32 N C -1.216 174.376 175.510 0.137 0.000 1.017 32 N CA 0.968 54.063 53.050 0.076 0.000 0.742 32 N CB -0.469 38.076 38.487 0.096 0.000 0.943 32 N HN 0.353 nan 8.380 nan 0.000 0.539 33 S N -2.095 113.674 115.700 0.115 0.000 2.726 33 S HA 0.459 4.928 4.470 -0.001 0.000 0.308 33 S C 1.258 175.929 174.600 0.118 0.000 1.115 33 S CA -0.303 58.001 58.200 0.173 0.000 0.965 33 S CB 1.609 64.915 63.200 0.177 0.000 1.145 33 S HN 0.343 nan 8.310 nan 0.000 0.532 34 S N 0.621 116.447 115.700 0.210 0.000 2.423 34 S HA -0.051 4.418 4.470 -0.001 0.000 0.231 34 S C 1.617 176.233 174.600 0.026 0.000 1.014 34 S CA 0.613 58.918 58.200 0.175 0.000 0.965 34 S CB -0.424 63.045 63.200 0.449 0.000 0.785 34 S HN 0.585 nan 8.310 nan 0.000 0.495 35 I N 2.878 123.525 120.570 0.128 0.000 2.202 35 I HA -0.078 4.091 4.170 -0.001 0.000 0.242 35 I C 3.086 179.231 176.117 0.046 0.000 1.091 35 I CA 1.209 62.611 61.300 0.170 0.000 1.368 35 I CB -1.932 36.230 38.000 0.271 0.000 1.058 35 I HN 0.396 nan 8.210 nan 0.000 0.410 36 A N 0.617 123.445 122.820 0.013 0.000 1.892 36 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 36 A C 2.540 180.025 177.584 -0.165 0.000 1.188 36 A CA 2.445 54.456 52.037 -0.042 0.000 0.631 36 A CB -0.863 18.121 19.000 -0.026 0.000 0.822 36 A HN 0.460 nan 8.150 nan 0.000 0.447 37 S N -0.531 114.972 115.700 -0.328 0.000 2.423 37 S HA -0.084 4.386 4.470 -0.001 0.000 0.231 37 S C 1.810 176.117 174.600 -0.489 0.000 1.014 37 S CA 1.405 59.276 58.200 -0.549 0.000 0.965 37 S CB -0.130 62.347 63.200 -1.204 0.000 0.785 37 S HN 0.641 nan 8.310 nan 0.000 0.495 38 K N 0.941 121.078 120.400 -0.437 0.000 2.167 38 K HA 0.055 4.374 4.320 -0.001 0.000 0.203 38 K C 2.292 178.549 176.600 -0.571 0.000 1.052 38 K CA 0.650 56.612 56.287 -0.541 0.000 0.956 38 K CB -0.062 31.973 32.500 -0.775 0.000 0.735 38 K HN 0.028 nan 8.250 nan 0.000 0.451 39 R N 1.256 121.565 120.500 -0.318 0.000 2.096 39 R HA -0.093 4.246 4.340 -0.001 0.000 0.235 39 R C 2.208 178.453 176.300 -0.092 0.000 1.127 39 R CA 1.872 57.902 56.100 -0.116 0.000 0.968 39 R CB -0.776 29.526 30.300 0.003 0.000 0.861 39 R HN 0.057 nan 8.270 nan 0.000 0.440 40 S N -0.811 114.818 115.700 -0.119 0.000 2.353 40 S HA -0.113 4.356 4.470 -0.001 0.000 0.222 40 S C 1.882 176.469 174.600 -0.020 0.000 1.035 40 S CA 1.658 59.814 58.200 -0.072 0.000 1.025 40 S CB -0.420 62.714 63.200 -0.111 0.000 0.902 40 S HN 0.204 nan 8.310 nan 0.000 0.440 41 V N 1.871 121.746 119.914 -0.066 0.000 2.490 41 V HA -0.118 4.002 4.120 -0.001 0.000 0.250 41 V C 2.570 178.740 176.094 0.127 0.000 1.061 41 V CA 2.152 64.466 62.300 0.023 0.000 1.064 41 V CB -0.776 31.034 31.823 -0.022 0.000 0.670 41 V HN 0.599 nan 8.190 nan 0.000 0.461 42 E N -0.134 120.084 120.200 0.032 0.000 2.150 42 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 42 E C 2.164 178.835 176.600 0.117 0.000 0.985 42 E CA 1.102 57.572 56.400 0.117 0.000 0.814 42 E CB 0.002 29.776 29.700 0.124 0.000 0.752 42 E HN 0.578 nan 8.360 nan 0.000 0.466 43 L N 0.279 121.548 121.223 0.076 0.000 2.049 43 L HA -0.094 4.245 4.340 -0.001 0.000 0.203 43 L C 2.527 179.442 176.870 0.076 0.000 1.074 43 L CA 0.666 55.540 54.840 0.057 0.000 0.749 43 L CB -0.212 41.863 42.059 0.027 0.000 0.907 43 L HN 0.217 nan 8.230 nan 0.000 0.439 44 L N -2.061 119.235 121.223 0.121 0.000 2.121 44 L HA -0.128 4.211 4.340 -0.001 0.000 0.200 44 L C 2.593 179.540 176.870 0.129 0.000 1.077 44 L CA 1.078 55.990 54.840 0.120 0.000 0.766 44 L CB -0.133 42.032 42.059 0.177 0.000 0.931 44 L HN 0.137 nan 8.230 nan 0.000 0.452 45 Y N 0.174 120.498 120.300 0.040 0.000 2.184 45 Y HA -0.147 4.402 4.550 -0.001 0.000 0.290 45 Y C 2.456 178.394 175.900 0.063 0.000 1.129 45 Y CA 1.175 59.299 58.100 0.039 0.000 1.144 45 Y CB -0.346 38.176 38.460 0.104 0.000 0.995 45 Y HN 0.076 nan 8.280 nan 0.000 0.513 46 L N -0.294 121.103 121.223 0.290 0.000 2.141 46 L HA -0.129 4.210 4.340 -0.001 0.000 0.209 46 L C -0.665 176.278 176.870 0.122 0.000 1.094 46 L CA 0.922 55.905 54.840 0.238 0.000 0.763 46 L CB -1.795 40.440 42.059 0.294 0.000 0.908 46 L HN 0.193 nan 8.230 nan 0.000 0.437 47 P HA -0.105 nan 4.420 nan 0.000 0.222 47 P C 1.010 178.307 177.300 -0.004 0.000 1.153 47 P CA 1.165 64.286 63.100 0.035 0.000 0.798 47 P CB 0.040 31.753 31.700 0.022 0.000 0.796 48 K N -0.858 119.522 120.400 -0.032 0.000 2.417 48 K HA 0.186 4.505 4.320 -0.001 0.000 0.196 48 K C 0.316 176.859 176.600 -0.095 0.000 1.023 48 K CA 0.108 56.345 56.287 -0.083 0.000 1.122 48 K CB 0.045 32.458 32.500 -0.147 0.000 0.850 48 K HN 0.227 nan 8.250 nan 0.000 0.521 49 L N 1.077 122.265 121.223 -0.059 0.000 2.334 49 L HA 0.246 4.585 4.340 -0.001 0.000 0.273 49 L C 0.548 177.387 176.870 -0.052 0.000 1.013 49 L CA -0.837 53.958 54.840 -0.076 0.000 0.816 49 L CB 1.826 43.848 42.059 -0.063 0.000 1.278 49 L HN 0.033 nan 8.230 nan 0.000 0.431 50 S N -0.038 115.623 115.700 -0.064 0.000 2.632 50 S HA 0.154 4.624 4.470 -0.001 0.000 0.267 50 S C 1.250 175.830 174.600 -0.034 0.000 1.276 50 S CA -0.102 58.072 58.200 -0.043 0.000 0.998 50 S CB 1.511 64.683 63.200 -0.047 0.000 0.953 50 S HN 0.835 nan 8.310 nan 0.000 0.547 51 S N 2.684 118.377 115.700 -0.012 0.000 2.402 51 S HA -0.384 4.085 4.470 -0.001 0.000 0.281 51 S C 2.171 176.765 174.600 -0.010 0.000 1.097 51 S CA 2.120 60.323 58.200 0.005 0.000 1.368 51 S CB -2.017 61.195 63.200 0.020 0.000 1.255 51 S HN 1.814 nan 8.310 nan 0.000 0.450 52 A N 2.813 125.632 122.820 -0.002 0.000 1.957 52 A HA -0.262 4.057 4.320 -0.001 0.000 0.224 52 A C 1.820 179.382 177.584 -0.037 0.000 1.287 52 A CA 2.347 54.392 52.037 0.013 0.000 0.682 52 A CB -0.956 18.055 19.000 0.017 0.000 0.833 52 A HN 0.814 nan 8.150 nan 0.000 0.482 53 N N -0.889 117.742 118.700 -0.115 0.000 2.291 53 N HA 0.053 4.793 4.740 -0.001 0.000 0.244 53 N C 0.338 175.543 175.510 -0.509 0.000 1.216 53 N CA 0.577 53.466 53.050 -0.269 0.000 0.879 53 N CB -0.106 38.399 38.487 0.029 0.000 1.167 53 N HN 0.935 nan 8.380 nan 0.000 0.515 54 N N 0.070 118.549 118.700 -0.370 0.000 2.254 54 N HA 0.046 4.785 4.740 -0.001 0.000 0.190 54 N C 0.128 175.629 175.510 -0.015 0.000 1.107 54 N CA -0.179 52.770 53.050 -0.168 0.000 0.869 54 N CB -0.022 38.476 38.487 0.018 0.000 0.983 54 N HN -0.059 nan 8.380 nan 0.000 0.487 55 F N 0.188 120.274 119.950 0.226 0.000 2.700 55 F HA -0.318 4.208 4.527 -0.001 0.000 0.511 55 F C -0.277 175.649 175.800 0.210 0.000 0.534 55 F CA 1.085 59.205 58.000 0.201 0.000 0.872 55 F CB -1.312 37.811 39.000 0.205 0.000 1.625 55 F HN 0.242 nan 8.300 nan 0.000 0.264 56 Q N 0.464 120.486 119.800 0.370 0.000 2.589 56 Q HA 0.709 5.048 4.340 -0.001 0.000 0.245 56 Q C -0.853 175.293 176.000 0.244 0.000 0.931 56 Q CA -0.210 55.817 55.803 0.372 0.000 0.730 56 Q CB 2.319 31.342 28.738 0.475 0.000 1.315 56 Q HN 0.419 nan 8.270 nan 0.000 0.469 57 M N 2.384 122.109 119.600 0.209 0.000 2.365 57 M HA 0.222 4.702 4.480 -0.001 0.000 0.287 57 M C -1.683 174.698 176.300 0.135 0.000 1.154 57 M CA -0.599 54.786 55.300 0.141 0.000 0.941 57 M CB 2.241 34.907 32.600 0.111 0.000 1.704 57 M HN 0.650 nan 8.290 nan 0.000 0.479 58 D N 3.080 123.541 120.400 0.101 0.000 2.447 58 D HA 0.190 4.830 4.640 -0.001 0.000 0.265 58 D C 0.726 177.074 176.300 0.080 0.000 1.250 58 D CA -0.241 53.815 54.000 0.092 0.000 1.046 58 D CB 0.531 41.370 40.800 0.066 0.000 1.095 58 D HN 0.712 nan 8.370 nan 0.000 0.555 59 K N -0.615 119.827 120.400 0.071 0.000 2.147 59 K HA -0.131 4.188 4.320 -0.001 0.000 0.205 59 K C 0.638 177.266 176.600 0.047 0.000 1.049 59 K CA 1.058 57.381 56.287 0.061 0.000 0.936 59 K CB -0.440 32.093 32.500 0.054 0.000 0.722 59 K HN 0.188 nan 8.250 nan 0.000 0.446 60 N N 1.272 119.996 118.700 0.040 0.000 2.362 60 N HA 0.004 4.743 4.740 -0.001 0.000 0.204 60 N C -0.673 174.854 175.510 0.029 0.000 1.166 60 N CA 0.295 53.363 53.050 0.030 0.000 0.831 60 N CB 0.181 38.682 38.487 0.024 0.000 1.008 60 N HN 0.279 nan 8.380 nan 0.000 0.472 61 N N -0.007 118.716 118.700 0.038 0.000 2.782 61 N HA -0.176 4.563 4.740 -0.001 0.000 0.251 61 N C -0.816 174.713 175.510 0.033 0.000 1.101 61 N CA 0.787 53.859 53.050 0.036 0.000 0.764 61 N CB -1.258 37.245 38.487 0.025 0.000 1.122 61 N HN 0.369 nan 8.380 nan 0.000 0.561 62 K N 0.536 120.956 120.400 0.034 0.000 2.258 62 K HA 0.271 4.590 4.320 -0.001 0.000 0.284 62 K C 0.228 176.851 176.600 0.038 0.000 1.051 62 K CA -0.849 55.454 56.287 0.027 0.000 0.923 62 K CB 1.097 33.608 32.500 0.018 0.000 1.046 62 K HN 0.101 nan 8.250 nan 0.000 0.474 63 L N 4.261 125.506 121.223 0.037 0.000 2.525 63 L HA 0.028 4.367 4.340 -0.001 0.000 0.278 63 L C -0.831 176.054 176.870 0.025 0.000 1.218 63 L CA 0.615 55.487 54.840 0.054 0.000 0.878 63 L CB 0.243 42.336 42.059 0.056 0.000 1.127 63 L HN 0.468 nan 8.230 nan 0.000 0.492 64 L N 4.816 126.060 121.223 0.036 0.000 2.331 64 L HA 0.521 4.860 4.340 -0.001 0.000 0.275 64 L C -0.173 176.586 176.870 -0.186 0.000 1.022 64 L CA -0.525 54.263 54.840 -0.088 0.000 0.812 64 L CB 1.615 43.638 42.059 -0.059 0.000 1.257 64 L HN 0.624 nan 8.230 nan 0.000 0.435 65 E N 0.928 120.898 120.200 -0.384 0.000 2.207 65 E HA 0.335 4.684 4.350 -0.001 0.000 0.270 65 E C -1.011 175.161 176.600 -0.713 0.000 0.927 65 E CA -0.256 55.919 56.400 -0.375 0.000 0.799 65 E CB 2.006 31.526 29.700 -0.300 0.000 1.172 65 E HN 0.460 nan 8.360 nan 0.000 0.404 66 Y N -0.071 120.190 120.300 -0.065 0.000 2.844 66 Y HA 0.100 4.649 4.550 -0.001 0.000 0.256 66 Y C 1.341 177.175 175.900 -0.110 0.000 1.134 66 Y CA -0.383 57.705 58.100 -0.020 0.000 1.209 66 Y CB 0.186 38.633 38.460 -0.022 0.000 1.418 66 Y HN 0.480 nan 8.280 nan 0.000 0.459 67 F N 2.372 122.433 119.950 0.185 0.000 2.408 67 F HA -0.155 4.371 4.527 -0.001 0.000 0.300 67 F C 2.188 177.994 175.800 0.010 0.000 1.090 67 F CA 1.538 59.637 58.000 0.165 0.000 1.427 67 F CB -0.341 38.745 39.000 0.143 0.000 1.070 67 F HN 0.083 nan 8.300 nan 0.000 0.549 68 K N 0.087 120.443 120.400 -0.074 0.000 2.362 68 K HA -0.138 4.181 4.320 -0.001 0.000 0.200 68 K C 1.534 177.943 176.600 -0.319 0.000 1.046 68 K CA 1.371 57.517 56.287 -0.235 0.000 0.952 68 K CB -0.874 31.388 32.500 -0.396 0.000 0.753 68 K HN 0.244 nan 8.250 nan 0.000 0.466 69 F N 0.071 119.897 119.950 -0.206 0.000 2.407 69 F HA 0.050 4.577 4.527 -0.001 0.000 0.299 69 F C 1.295 176.725 175.800 -0.617 0.000 1.097 69 F CA 0.655 58.369 58.000 -0.477 0.000 1.422 69 F CB 0.017 38.586 39.000 -0.719 0.000 1.067 69 F HN -0.061 nan 8.300 nan 0.000 0.539 70 F N -2.008 118.003 119.950 0.101 0.000 2.680 70 F HA 0.224 4.751 4.527 -0.001 0.000 0.290 70 F C 0.350 176.136 175.800 -0.024 0.000 1.114 70 F CA -0.012 57.991 58.000 0.005 0.000 1.333 70 F CB 0.477 39.495 39.000 0.030 0.000 1.091 70 F HN -0.467 nan 8.300 nan 0.000 0.606 71 V N 1.622 121.636 119.914 0.167 0.000 2.383 71 V HA 0.205 4.324 4.120 -0.001 0.000 0.264 71 V C -2.006 174.105 176.094 0.029 0.000 1.001 71 V CA -1.173 61.179 62.300 0.088 0.000 0.828 71 V CB 0.990 32.879 31.823 0.111 0.000 1.069 71 V HN -0.105 nan 8.190 nan 0.000 0.451 72 P HA -0.088 nan 4.420 nan 0.000 0.216 72 P C 0.766 178.045 177.300 -0.036 0.000 1.153 72 P CA 0.933 64.002 63.100 -0.051 0.000 0.848 72 P CB 0.243 31.912 31.700 -0.052 0.000 0.787 73 K N 0.670 121.058 120.400 -0.020 0.000 2.559 73 K HA -0.077 4.243 4.320 -0.001 0.000 0.279 73 K C 0.200 176.789 176.600 -0.019 0.000 0.967 73 K CA 0.594 56.869 56.287 -0.019 0.000 1.000 73 K CB 0.045 32.537 32.500 -0.012 0.000 0.890 73 K HN -0.103 nan 8.250 nan 0.000 0.501 74 K N 3.179 123.567 120.400 -0.021 0.000 2.294 74 K HA 0.102 4.421 4.320 -0.001 0.000 0.288 74 K C -0.043 176.545 176.600 -0.020 0.000 1.072 74 K CA 0.176 56.451 56.287 -0.019 0.000 0.960 74 K CB 0.044 32.533 32.500 -0.019 0.000 1.043 74 K HN 0.293 nan 8.250 nan 0.000 0.455 75 I N 3.371 123.927 120.570 -0.023 0.000 2.499 75 I HA 0.254 4.424 4.170 -0.001 0.000 0.296 75 I C 0.321 176.417 176.117 -0.036 0.000 0.992 75 I CA -0.405 60.875 61.300 -0.033 0.000 1.297 75 I CB 1.212 39.184 38.000 -0.046 0.000 1.410 75 I HN 0.478 nan 8.210 nan 0.000 0.507 76 K N 6.035 126.409 120.400 -0.043 0.000 2.469 76 K HA 0.680 4.999 4.320 -0.001 0.000 0.254 76 K C -0.817 175.746 176.600 -0.062 0.000 0.939 76 K CA -1.010 55.253 56.287 -0.040 0.000 0.812 76 K CB 3.179 35.662 32.500 -0.028 0.000 1.301 76 K HN 0.432 nan 8.250 nan 0.000 0.433 77 R N 0.372 120.833 120.500 -0.064 0.000 2.739 77 R HA 0.283 4.623 4.340 -0.001 0.000 0.271 77 R C -0.524 175.729 176.300 -0.078 0.000 1.010 77 R CA -0.784 55.257 56.100 -0.098 0.000 0.897 77 R CB 1.927 32.141 30.300 -0.145 0.000 1.236 77 R HN 0.979 nan 8.270 nan 0.000 0.466 78 S N 0.711 116.345 115.700 -0.110 0.000 2.560 78 S HA 0.060 4.530 4.470 -0.001 0.000 0.276 78 S C -1.712 172.867 174.600 -0.036 0.000 1.350 78 S CA -0.586 57.562 58.200 -0.088 0.000 1.024 78 S CB 0.405 63.527 63.200 -0.130 0.000 0.864 78 S HN 0.338 nan 8.310 nan 0.000 0.536 79 P HA 0.049 nan 4.420 nan 0.000 0.225 79 P C 1.313 178.760 177.300 0.244 0.000 1.148 79 P CA 0.336 63.537 63.100 0.167 0.000 0.779 79 P CB -0.140 31.680 31.700 0.200 0.000 0.780 80 C N -1.530 117.841 119.300 0.119 0.000 2.519 80 C HA 0.081 4.540 4.460 -0.001 0.000 0.281 80 C C 2.387 177.366 174.990 -0.018 0.000 1.331 80 C CA 0.179 59.303 59.018 0.176 0.000 1.725 80 C CB -1.462 26.357 27.740 0.131 0.000 2.079 80 C HN 0.057 nan 8.230 nan 0.000 0.496 81 I N 2.056 122.454 120.570 -0.286 0.000 2.454 81 I HA -0.133 4.036 4.170 -0.001 0.000 0.254 81 I C 2.119 178.181 176.117 -0.091 0.000 1.156 81 I CA 1.279 62.270 61.300 -0.515 0.000 1.433 81 I CB -0.404 37.240 38.000 -0.594 0.000 1.082 81 I HN 0.413 nan 8.210 nan 0.000 0.432 82 N N 0.252 118.906 118.700 -0.076 0.000 2.135 82 N HA -0.126 4.613 4.740 -0.001 0.000 0.186 82 N C 1.969 177.345 175.510 -0.225 0.000 1.027 82 N CA 0.973 53.936 53.050 -0.146 0.000 0.849 82 N CB -0.309 38.097 38.487 -0.134 0.000 1.002 82 N HN 0.252 nan 8.380 nan 0.000 0.425 83 R N 0.445 120.885 120.500 -0.100 0.000 2.091 83 R HA -0.083 4.256 4.340 -0.001 0.000 0.238 83 R C 2.092 178.563 176.300 0.285 0.000 1.136 83 R CA 1.624 57.732 56.100 0.013 0.000 0.959 83 R CB -0.577 29.584 30.300 -0.231 0.000 0.856 83 R HN 0.233 nan 8.270 nan 0.000 0.437 84 G N -0.386 108.555 108.800 0.235 0.000 2.459 84 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 84 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 84 G C 1.046 176.038 174.900 0.154 0.000 1.183 84 G CA 0.899 46.092 45.100 0.155 0.000 0.776 84 G HN 0.399 nan 8.290 nan 0.000 0.552 85 Y N -1.364 119.000 120.300 0.108 0.000 2.509 85 Y HA 0.043 4.592 4.550 -0.001 0.000 0.293 85 Y C 2.343 178.285 175.900 0.071 0.000 1.133 85 Y CA 0.564 58.703 58.100 0.065 0.000 1.283 85 Y CB -0.080 38.369 38.460 -0.018 0.000 1.001 85 Y HN 0.426 nan 8.280 nan 0.000 0.555 86 W N 0.050 121.385 121.300 0.058 0.000 2.409 86 W HA -0.142 4.517 4.660 -0.001 0.000 0.299 86 W C 1.628 178.314 176.519 0.278 0.000 1.203 86 W CA 1.315 58.733 57.345 0.121 0.000 1.298 86 W CB -0.373 29.102 29.460 0.026 0.000 1.127 86 W HN -0.085 nan 8.180 nan 0.000 0.528 87 L N 0.783 122.294 121.223 0.479 0.000 2.187 87 L HA -0.218 4.121 4.340 -0.001 0.000 0.213 87 L C 2.568 179.515 176.870 0.129 0.000 1.100 87 L CA 1.728 56.802 54.840 0.390 0.000 0.765 87 L CB -0.638 41.741 42.059 0.533 0.000 0.904 87 L HN 0.073 nan 8.230 nan 0.000 0.437 88 R N -0.060 120.466 120.500 0.042 0.000 2.127 88 R HA -0.042 4.297 4.340 -0.001 0.000 0.217 88 R C 2.218 178.470 176.300 -0.079 0.000 1.074 88 R CA 0.612 56.692 56.100 -0.034 0.000 0.991 88 R CB 0.059 30.292 30.300 -0.112 0.000 0.895 88 R HN 0.249 nan 8.270 nan 0.000 0.450 89 L N -0.430 120.702 121.223 -0.153 0.000 2.156 89 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 89 L C 1.959 178.575 176.870 -0.424 0.000 1.095 89 L CA 0.710 55.361 54.840 -0.315 0.000 0.770 89 L CB -0.334 41.454 42.059 -0.451 0.000 0.914 89 L HN 0.187 nan 8.230 nan 0.000 0.439 90 F N 0.744 120.366 119.950 -0.546 0.000 2.456 90 F HA 0.019 4.545 4.527 -0.001 0.000 0.298 90 F C 2.246 177.956 175.800 -0.150 0.000 1.104 90 F CA 0.495 58.260 58.000 -0.392 0.000 1.435 90 F CB -0.187 38.335 39.000 -0.797 0.000 1.078 90 F HN -0.025 nan 8.300 nan 0.000 0.546 91 A N 0.800 123.491 122.820 -0.215 0.000 1.835 91 A HA -0.142 4.177 4.320 -0.001 0.000 0.215 91 A C 2.089 179.553 177.584 -0.201 0.000 1.199 91 A CA 1.987 53.914 52.037 -0.184 0.000 0.615 91 A CB -1.163 17.803 19.000 -0.056 0.000 0.838 91 A HN 0.289 nan 8.150 nan 0.000 0.444 92 I N -0.227 120.243 120.570 -0.167 0.000 2.163 92 I HA -0.197 3.972 4.170 -0.001 0.000 0.243 92 I C 2.484 178.500 176.117 -0.167 0.000 1.085 92 I CA 1.863 63.070 61.300 -0.155 0.000 1.347 92 I CB -0.671 37.257 38.000 -0.120 0.000 1.044 92 I HN 0.405 nan 8.210 nan 0.000 0.408 93 R N 0.849 121.234 120.500 -0.192 0.000 2.115 93 R HA -0.113 4.227 4.340 -0.001 0.000 0.230 93 R C 2.424 178.701 176.300 -0.038 0.000 1.111 93 R CA 1.885 57.924 56.100 -0.102 0.000 0.976 93 R CB -0.719 29.536 30.300 -0.074 0.000 0.870 93 R HN 0.514 nan 8.270 nan 0.000 0.445 94 S N -0.057 115.530 115.700 -0.189 0.000 2.383 94 S HA -0.071 4.398 4.470 -0.001 0.000 0.227 94 S C 1.839 176.417 174.600 -0.036 0.000 1.026 94 S CA 0.483 58.625 58.200 -0.098 0.000 0.981 94 S CB -0.230 62.715 63.200 -0.424 0.000 0.818 94 S HN 0.212 nan 8.310 nan 0.000 0.472 95 R N 1.589 122.007 120.500 -0.137 0.000 2.062 95 R HA 0.259 4.598 4.340 -0.001 0.000 0.229 95 R C 2.438 178.599 176.300 -0.232 0.000 1.128 95 R CA 1.027 57.000 56.100 -0.211 0.000 0.960 95 R CB -1.597 28.523 30.300 -0.300 0.000 0.855 95 R HN 0.448 nan 8.270 nan 0.000 0.432 96 L N 1.291 122.425 121.223 -0.148 0.000 2.079 96 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 96 L C 1.927 178.817 176.870 0.034 0.000 1.081 96 L CA 1.207 56.022 54.840 -0.043 0.000 0.752 96 L CB -0.573 41.532 42.059 0.077 0.000 0.896 96 L HN 0.179 nan 8.230 nan 0.000 0.433 97 N N -0.021 118.717 118.700 0.063 0.000 2.084 97 N HA -0.161 4.578 4.740 -0.001 0.000 0.190 97 N C 2.121 177.583 175.510 -0.080 0.000 1.030 97 N CA 1.812 54.911 53.050 0.082 0.000 0.849 97 N CB -0.444 38.165 38.487 0.204 0.000 1.012 97 N HN 0.369 nan 8.380 nan 0.000 0.423 98 S N 0.467 115.941 115.700 -0.377 0.000 2.400 98 S HA -0.064 4.406 4.470 -0.001 0.000 0.232 98 S C 2.109 176.640 174.600 -0.116 0.000 1.025 98 S CA 0.780 58.590 58.200 -0.650 0.000 0.993 98 S CB -0.620 61.676 63.200 -1.507 0.000 0.808 98 S HN 0.279 nan 8.310 nan 0.000 0.478 99 I N 1.115 121.622 120.570 -0.106 0.000 2.286 99 I HA -0.082 4.087 4.170 -0.001 0.000 0.245 99 I C 2.223 178.313 176.117 -0.046 0.000 1.104 99 I CA 0.891 62.135 61.300 -0.095 0.000 1.397 99 I CB -0.298 37.450 38.000 -0.420 0.000 1.072 99 I HN 0.259 nan 8.210 nan 0.000 0.417 100 I N 0.802 121.299 120.570 -0.122 0.000 2.315 100 I HA -0.211 3.959 4.170 -0.001 0.000 0.248 100 I C 2.342 178.390 176.117 -0.115 0.000 1.117 100 I CA 1.607 62.795 61.300 -0.186 0.000 1.404 100 I CB -1.117 36.633 38.000 -0.418 0.000 1.071 100 I HN 0.330 nan 8.210 nan 0.000 0.419 101 E N 0.265 120.428 120.200 -0.062 0.000 2.106 101 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 101 E C 2.132 178.724 176.600 -0.012 0.000 0.984 101 E CA 0.985 57.373 56.400 -0.021 0.000 0.806 101 E CB -0.019 29.704 29.700 0.037 0.000 0.750 101 E HN 0.530 nan 8.360 nan 0.000 0.458 102 Q N 0.391 120.194 119.800 0.005 0.000 2.226 102 Q HA 0.009 4.349 4.340 -0.001 0.000 0.199 102 Q C 0.234 176.259 176.000 0.040 0.000 0.945 102 Q CA 0.499 56.299 55.803 -0.005 0.000 0.861 102 Q CB 0.498 29.178 28.738 -0.096 0.000 0.953 102 Q HN 0.006 nan 8.270 nan 0.000 0.490 103 T N 4.061 118.671 114.554 0.092 0.000 2.871 103 T HA 0.113 4.462 4.350 -0.001 0.000 0.296 103 T C -2.473 172.233 174.700 0.010 0.000 0.998 103 T CA -0.868 61.278 62.100 0.076 0.000 1.162 103 T CB 0.772 69.678 68.868 0.064 0.000 0.947 103 T HN 0.218 nan 8.240 nan 0.000 0.536 104 P HA 0.018 nan 4.420 nan 0.000 0.263 104 P C 0.621 177.904 177.300 -0.028 0.000 1.175 104 P CA 0.175 63.266 63.100 -0.015 0.000 0.761 104 P CB 0.371 32.060 31.700 -0.017 0.000 0.794 105 Q N 1.662 121.444 119.800 -0.030 0.000 2.541 105 Q HA -0.128 4.211 4.340 -0.001 0.000 0.215 105 Q C 0.824 176.803 176.000 -0.035 0.000 0.977 105 Q CA 0.976 56.757 55.803 -0.036 0.000 0.934 105 Q CB -0.170 28.549 28.738 -0.030 0.000 0.988 105 Q HN 0.609 nan 8.270 nan 0.000 0.521 106 D N -0.211 120.169 120.400 -0.032 0.000 2.423 106 D HA -0.005 4.634 4.640 -0.001 0.000 0.208 106 D C 0.152 176.428 176.300 -0.039 0.000 1.068 106 D CA -0.012 53.970 54.000 -0.031 0.000 0.860 106 D CB 0.175 40.959 40.800 -0.026 0.000 0.992 106 D HN -0.079 nan 8.370 nan 0.000 0.504 107 K N 1.735 122.107 120.400 -0.045 0.000 2.382 107 K HA 0.083 4.403 4.320 -0.001 0.000 0.275 107 K C 0.366 176.926 176.600 -0.067 0.000 1.009 107 K CA -0.251 56.002 56.287 -0.057 0.000 0.970 107 K CB 1.533 33.997 32.500 -0.060 0.000 0.934 107 K HN 0.080 nan 8.250 nan 0.000 0.479 108 K N 3.749 124.103 120.400 -0.075 0.000 2.339 108 K HA 0.177 4.496 4.320 -0.001 0.000 0.286 108 K C -0.432 176.100 176.600 -0.114 0.000 1.050 108 K CA -0.195 56.039 56.287 -0.089 0.000 0.956 108 K CB 0.361 32.809 32.500 -0.087 0.000 0.990 108 K HN 0.460 nan 8.250 nan 0.000 0.475 109 I N 4.680 125.169 120.570 -0.135 0.000 2.412 109 I HA 0.248 4.418 4.170 -0.001 0.000 0.296 109 I C -0.694 175.278 176.117 -0.242 0.000 0.987 109 I CA -1.283 59.915 61.300 -0.169 0.000 1.180 109 I CB 1.948 39.849 38.000 -0.164 0.000 1.340 109 I HN 0.320 nan 8.210 nan 0.000 0.455 110 V N 6.817 126.568 119.914 -0.272 0.000 2.444 110 V HA 0.308 4.427 4.120 -0.001 0.000 0.294 110 V C -0.099 175.743 176.094 -0.421 0.000 1.022 110 V CA -0.701 61.389 62.300 -0.350 0.000 0.850 110 V CB 2.011 33.656 31.823 -0.297 0.000 0.992 110 V HN 0.391 nan 8.190 nan 0.000 0.426 111 V N 5.904 125.497 119.914 -0.535 0.000 2.364 111 V HA 0.392 4.511 4.120 -0.001 0.000 0.272 111 V C -0.088 175.846 176.094 -0.267 0.000 1.036 111 V CA -0.443 61.599 62.300 -0.430 0.000 0.880 111 V CB 1.643 33.169 31.823 -0.494 0.000 0.991 111 V HN 0.621 nan 8.190 nan 0.000 0.460 112 V N 4.559 124.317 119.914 -0.261 0.000 2.313 112 V HA 0.365 4.485 4.120 -0.001 0.000 0.278 112 V C 0.085 176.193 176.094 0.024 0.000 1.017 112 V CA -0.715 61.523 62.300 -0.103 0.000 0.823 112 V CB 1.443 33.192 31.823 -0.123 0.000 1.010 112 V HN 0.819 nan 8.190 nan 0.000 0.443 113 N N 5.039 123.775 118.700 0.059 0.000 2.415 113 N HA 0.328 5.068 4.740 -0.001 0.000 0.246 113 N C -0.532 175.012 175.510 0.057 0.000 1.078 113 N CA -0.219 52.864 53.050 0.054 0.000 0.942 113 N CB 0.683 39.216 38.487 0.076 0.000 1.140 113 N HN 0.633 nan 8.380 nan 0.000 0.501 114 L N 2.755 124.001 121.223 0.039 0.000 2.363 114 L HA 0.330 4.669 4.340 -0.001 0.000 0.286 114 L C 1.218 178.073 176.870 -0.025 0.000 1.106 114 L CA -0.525 54.322 54.840 0.012 0.000 0.859 114 L CB 0.346 42.397 42.059 -0.014 0.000 1.223 114 L HN 0.752 nan 8.230 nan 0.000 0.446 115 G N 2.097 110.868 108.800 -0.048 0.000 2.303 115 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.260 115 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.260 115 G C 0.806 175.693 174.900 -0.022 0.000 1.106 115 G CA 0.002 45.065 45.100 -0.062 0.000 0.900 115 G HN 0.924 nan 8.290 nan 0.000 0.495 116 C N -1.066 118.221 119.300 -0.023 0.000 2.419 116 C HA 0.423 4.882 4.460 -0.001 0.000 0.281 116 C C 2.777 177.738 174.990 -0.048 0.000 1.336 116 C CA 0.664 59.679 59.018 -0.005 0.000 1.770 116 C CB -1.333 26.419 27.740 0.020 0.000 1.929 116 C HN 2.490 nan 8.230 nan 0.000 0.509 117 G N 0.613 109.333 108.800 -0.132 0.000 2.596 117 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.295 117 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.295 117 G C 0.018 174.648 174.900 -0.450 0.000 1.240 117 G CA 0.820 45.743 45.100 -0.294 0.000 0.985 117 G HN 0.667 nan 8.290 nan 0.000 0.555 118 Y N 1.557 121.748 120.300 -0.181 0.000 2.495 118 Y HA 0.290 4.840 4.550 -0.001 0.000 0.293 118 Y C 1.378 177.003 175.900 -0.458 0.000 1.186 118 Y CA 0.115 57.877 58.100 -0.562 0.000 1.266 118 Y CB 0.233 38.320 38.460 -0.622 0.000 1.101 118 Y HN 0.450 nan 8.280 nan 0.000 0.517 119 D N 2.342 122.721 120.400 -0.036 0.000 2.451 119 D HA -0.039 4.600 4.640 -0.001 0.000 0.254 119 D C -2.038 174.298 176.300 0.061 0.000 1.204 119 D CA -1.454 52.593 54.000 0.079 0.000 0.896 119 D CB 1.236 42.095 40.800 0.098 0.000 1.136 119 D HN 0.127 nan 8.370 nan 0.000 0.499 120 P HA 0.028 nan 4.420 nan 0.000 0.257 120 P C 1.382 178.653 177.300 -0.050 0.000 1.325 120 P CA -0.378 62.806 63.100 0.139 0.000 0.850 120 P CB 0.228 31.940 31.700 0.021 0.000 1.324 121 L N 1.597 122.745 121.223 -0.125 0.000 2.021 121 L HA -0.128 4.211 4.340 -0.001 0.000 0.215 121 L C -0.831 175.755 176.870 -0.473 0.000 1.074 121 L CA 2.850 57.547 54.840 -0.240 0.000 0.760 121 L CB -2.189 39.794 42.059 -0.127 0.000 0.889 121 L HN 0.051 nan 8.230 nan 0.000 0.433 122 P HA -0.189 nan 4.420 nan 0.000 0.215 122 P C 1.645 178.345 177.300 -1.000 0.000 1.157 122 P CA 1.783 64.083 63.100 -1.334 0.000 0.874 122 P CB -0.187 30.916 31.700 -0.995 0.000 0.790 123 F N -0.543 119.074 119.950 -0.555 0.000 2.206 123 F HA -0.083 4.443 4.527 -0.001 0.000 0.298 123 F C 2.736 178.115 175.800 -0.702 0.000 1.090 123 F CA 1.080 58.799 58.000 -0.468 0.000 1.323 123 F CB -1.230 37.582 39.000 -0.313 0.000 1.028 123 F HN -0.047 nan 8.300 nan 0.000 0.492 124 Q N 0.718 120.038 119.800 -0.800 0.000 2.181 124 Q HA -0.200 4.139 4.340 -0.001 0.000 0.205 124 Q C 1.909 177.602 176.000 -0.511 0.000 0.980 124 Q CA 1.623 56.759 55.803 -1.111 0.000 0.862 124 Q CB -0.142 28.198 28.738 -0.663 0.000 0.905 124 Q HN 0.490 nan 8.270 nan 0.000 0.429 125 L N -0.462 120.498 121.223 -0.439 0.000 2.253 125 L HA -0.007 4.333 4.340 -0.001 0.000 0.205 125 L C 2.103 178.973 176.870 -0.001 0.000 1.078 125 L CA 0.134 54.810 54.840 -0.274 0.000 0.805 125 L CB 0.013 41.819 42.059 -0.423 0.000 0.963 125 L HN 0.180 nan 8.230 nan 0.000 0.459 126 L N -0.451 120.705 121.223 -0.112 0.000 2.478 126 L HA -0.027 4.312 4.340 -0.001 0.000 0.223 126 L C 0.421 177.327 176.870 0.060 0.000 1.140 126 L CA 0.093 54.953 54.840 0.033 0.000 0.842 126 L CB -0.144 41.837 42.059 -0.131 0.000 0.953 126 L HN 0.152 nan 8.230 nan 0.000 0.452 127 D N -0.078 120.360 120.400 0.063 0.000 2.352 127 D HA -0.003 4.637 4.640 -0.001 0.000 0.245 127 D C 1.386 177.642 176.300 -0.075 0.000 1.224 127 D CA 0.015 54.052 54.000 0.063 0.000 0.879 127 D CB 1.194 42.128 40.800 0.224 0.000 1.057 127 D HN 0.084 nan 8.370 nan 0.000 0.491 128 T N 1.415 115.760 114.554 -0.349 0.000 2.946 128 T HA -0.169 4.180 4.350 -0.001 0.000 0.271 128 T C 1.334 175.937 174.700 -0.161 0.000 1.104 128 T CA 0.608 62.329 62.100 -0.631 0.000 1.114 128 T CB -0.038 68.611 68.868 -0.365 0.000 0.867 128 T HN 0.274 nan 8.240 nan 0.000 0.513 129 N N 1.754 120.454 118.700 -0.000 0.000 2.396 129 N HA 0.005 4.744 4.740 -0.001 0.000 0.180 129 N C 0.482 176.090 175.510 0.164 0.000 1.028 129 N CA 0.422 53.522 53.050 0.083 0.000 0.893 129 N CB -0.399 38.140 38.487 0.087 0.000 0.967 129 N HN 0.411 nan 8.380 nan 0.000 0.440 130 N N 1.665 120.514 118.700 0.248 0.000 2.469 130 N HA 0.057 4.796 4.740 -0.001 0.000 0.239 130 N C 0.891 176.606 175.510 0.342 0.000 1.053 130 N CA -0.234 53.001 53.050 0.307 0.000 0.937 130 N CB 0.226 38.931 38.487 0.364 0.000 1.163 130 N HN 0.202 nan 8.380 nan 0.000 0.509 131 I N -0.326 120.394 120.570 0.250 0.000 3.444 131 I HA 0.064 4.233 4.170 -0.001 0.000 0.287 131 I C 0.253 176.464 176.117 0.156 0.000 1.302 131 I CA 0.473 61.903 61.300 0.215 0.000 1.368 131 I CB 0.125 38.217 38.000 0.154 0.000 1.048 131 I HN 0.242 nan 8.210 nan 0.000 0.487 132 Q N 1.656 121.560 119.800 0.172 0.000 2.246 132 Q HA 0.179 4.519 4.340 -0.001 0.000 0.202 132 Q C 0.798 176.899 176.000 0.169 0.000 0.883 132 Q CA 0.467 56.366 55.803 0.161 0.000 0.952 132 Q CB 0.552 29.397 28.738 0.179 0.000 1.078 132 Q HN 0.741 nan 8.270 nan 0.000 0.493 133 S N -1.658 114.110 115.700 0.113 0.000 3.025 133 S HA 0.091 4.561 4.470 -0.001 0.000 0.251 133 S C 1.024 175.454 174.600 -0.282 0.000 0.954 133 S CA -0.491 57.772 58.200 0.104 0.000 1.092 133 S CB 0.505 63.748 63.200 0.072 0.000 1.079 133 S HN 0.030 nan 8.310 nan 0.000 0.543 134 Q N 1.977 121.561 119.800 -0.361 0.000 2.170 134 Q HA -0.083 4.256 4.340 -0.001 0.000 0.203 134 Q C 1.361 177.155 176.000 -0.342 0.000 0.976 134 Q CA 1.627 57.056 55.803 -0.624 0.000 0.858 134 Q CB -0.248 28.430 28.738 -0.100 0.000 0.907 134 Q HN 0.807 nan 8.270 nan 0.000 0.433 135 Q N -1.073 118.627 119.800 -0.168 0.000 2.515 135 Q HA -0.106 4.233 4.340 -0.001 0.000 0.212 135 Q C 0.445 176.244 176.000 -0.335 0.000 0.970 135 Q CA 0.655 56.328 55.803 -0.216 0.000 0.941 135 Q CB 0.166 28.753 28.738 -0.251 0.000 0.998 135 Q HN 0.456 nan 8.270 nan 0.000 0.518 136 Y N -2.444 117.787 120.300 -0.115 0.000 2.445 136 Y HA 0.090 4.640 4.550 -0.001 0.000 0.247 136 Y C 1.572 177.539 175.900 0.112 0.000 1.129 136 Y CA -0.079 58.029 58.100 0.013 0.000 1.251 136 Y CB 0.505 39.012 38.460 0.079 0.000 1.176 136 Y HN 0.167 nan 8.280 nan 0.000 0.522 137 H N 0.000 119.178 119.070 0.179 0.000 2.457 137 H HA -0.081 4.474 4.556 -0.001 0.000 0.294 137 H C 0.772 176.150 175.328 0.083 0.000 1.064 137 H CA 1.425 57.548 56.048 0.124 0.000 1.330 137 H CB 0.083 29.903 29.762 0.096 0.000 1.395 137 H HN 0.401 nan 8.280 nan 0.000 0.541 138 D N -0.324 120.178 120.400 0.169 0.000 2.840 138 D HA 0.016 4.656 4.640 -0.001 0.000 0.277 138 D C 1.546 177.876 176.300 0.052 0.000 1.066 138 D CA 0.586 54.642 54.000 0.093 0.000 0.979 138 D CB 0.122 40.957 40.800 0.058 0.000 1.157 138 D HN 0.439 nan 8.370 nan 0.000 0.466 139 R N 0.431 120.942 120.500 0.017 0.000 2.586 139 R HA 0.420 4.759 4.340 -0.001 0.000 0.336 139 R C -0.616 175.655 176.300 -0.048 0.000 1.060 139 R CA -0.160 55.928 56.100 -0.020 0.000 1.079 139 R CB 0.327 30.601 30.300 -0.043 0.000 1.317 139 R HN -0.136 nan 8.270 nan 0.000 0.568 140 V N 0.116 120.023 119.914 -0.011 0.000 2.513 140 V HA 0.497 4.616 4.120 -0.001 0.000 0.299 140 V C -0.271 175.765 176.094 -0.097 0.000 1.035 140 V CA -0.756 61.493 62.300 -0.084 0.000 0.889 140 V CB 1.783 33.612 31.823 0.010 0.000 0.988 140 V HN 0.287 nan 8.190 nan 0.000 0.440 141 S N 2.686 118.205 115.700 -0.302 0.000 2.599 141 S HA 0.873 5.342 4.470 -0.001 0.000 0.294 141 S C -1.529 172.784 174.600 -0.479 0.000 1.094 141 S CA -0.364 57.718 58.200 -0.197 0.000 0.931 141 S CB 1.279 64.406 63.200 -0.122 0.000 1.093 141 S HN 0.428 nan 8.310 nan 0.000 0.488 142 F N 1.968 121.882 119.950 -0.061 0.000 2.547 142 F HA 0.593 5.120 4.527 -0.001 0.000 0.316 142 F C -0.321 175.367 175.800 -0.186 0.000 1.121 142 F CA -0.601 57.353 58.000 -0.077 0.000 0.911 142 F CB 1.483 40.488 39.000 0.008 0.000 1.179 142 F HN 0.314 nan 8.300 nan 0.000 0.443 143 I N 3.036 123.586 120.570 -0.033 0.000 2.389 143 I HA 0.309 4.478 4.170 -0.001 0.000 0.288 143 I C -1.073 175.007 176.117 -0.061 0.000 0.999 143 I CA -0.685 60.536 61.300 -0.130 0.000 1.129 143 I CB 1.544 39.489 38.000 -0.091 0.000 1.288 143 I HN 0.398 nan 8.210 nan 0.000 0.444 144 D N 7.455 127.771 120.400 -0.141 0.000 2.274 144 D HA 0.547 5.187 4.640 -0.001 0.000 0.239 144 D C -0.440 175.862 176.300 0.003 0.000 1.104 144 D CA 0.022 54.019 54.000 -0.005 0.000 0.840 144 D CB 1.759 42.614 40.800 0.091 0.000 1.100 144 D HN 0.294 nan 8.370 nan 0.000 0.477 145 I N 2.249 122.837 120.570 0.029 0.000 2.418 145 I HA 0.383 4.552 4.170 -0.001 0.000 0.287 145 I C -0.114 175.985 176.117 -0.030 0.000 1.008 145 I CA -0.606 60.709 61.300 0.026 0.000 1.104 145 I CB 1.856 39.908 38.000 0.086 0.000 1.264 145 I HN 0.123 nan 8.210 nan 0.000 0.438 146 D N 3.345 123.714 120.400 -0.053 0.000 2.692 146 D HA 0.296 4.935 4.640 -0.001 0.000 0.303 146 D C -1.040 175.200 176.300 -0.100 0.000 1.278 146 D CA -0.524 53.395 54.000 -0.134 0.000 0.852 146 D CB 1.290 42.025 40.800 -0.108 0.000 1.375 146 D HN 0.215 nan 8.370 nan 0.000 0.453 147 Y N 0.874 121.170 120.300 -0.007 0.000 2.805 147 Y HA -0.051 4.498 4.550 -0.001 0.000 0.337 147 Y C 2.163 178.071 175.900 0.014 0.000 1.252 147 Y CA 0.979 59.083 58.100 0.006 0.000 1.515 147 Y CB 0.583 39.042 38.460 -0.001 0.000 1.305 147 Y HN 0.255 nan 8.280 nan 0.000 0.600 148 S N 1.123 116.954 115.700 0.218 0.000 2.359 148 S HA -0.262 4.207 4.470 -0.001 0.000 0.223 148 S C 1.692 176.360 174.600 0.114 0.000 1.039 148 S CA 2.060 60.345 58.200 0.141 0.000 1.042 148 S CB -0.276 63.001 63.200 0.129 0.000 0.915 148 S HN 0.847 nan 8.310 nan 0.000 0.439 149 D N 0.999 121.466 120.400 0.111 0.000 2.126 149 D HA -0.149 4.490 4.640 -0.001 0.000 0.190 149 D C 1.973 178.329 176.300 0.094 0.000 1.001 149 D CA 1.465 55.519 54.000 0.090 0.000 0.841 149 D CB -0.629 40.214 40.800 0.072 0.000 0.949 149 D HN 0.448 nan 8.370 nan 0.000 0.446 150 L N 0.439 121.717 121.223 0.091 0.000 2.046 150 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 150 L C 2.373 179.248 176.870 0.007 0.000 1.077 150 L CA 0.964 55.824 54.840 0.033 0.000 0.747 150 L CB -0.122 41.903 42.059 -0.058 0.000 0.896 150 L HN 0.029 nan 8.230 nan 0.000 0.432 151 L N -0.550 120.687 121.223 0.023 0.000 2.201 151 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 151 L C 2.622 179.523 176.870 0.051 0.000 1.105 151 L CA 0.955 55.819 54.840 0.040 0.000 0.775 151 L CB -0.624 41.471 42.059 0.060 0.000 0.913 151 L HN 0.294 nan 8.230 nan 0.000 0.440 152 K N 0.682 121.103 120.400 0.035 0.000 1.991 152 K HA -0.183 4.136 4.320 -0.001 0.000 0.212 152 K C 2.063 178.612 176.600 -0.086 0.000 1.049 152 K CA 1.511 57.781 56.287 -0.028 0.000 0.932 152 K CB -0.329 32.158 32.500 -0.021 0.000 0.717 152 K HN 0.224 nan 8.250 nan 0.000 0.441 153 I N 1.436 122.002 120.570 -0.008 0.000 2.163 153 I HA -0.326 3.844 4.170 -0.001 0.000 0.243 153 I C 2.653 178.855 176.117 0.142 0.000 1.085 153 I CA 1.404 62.724 61.300 0.032 0.000 1.347 153 I CB -0.311 37.851 38.000 0.271 0.000 1.044 153 I HN 0.208 nan 8.210 nan 0.000 0.408 154 K N 1.418 121.980 120.400 0.271 0.000 2.152 154 K HA -0.169 4.150 4.320 -0.001 0.000 0.206 154 K C 2.004 178.739 176.600 0.225 0.000 1.048 154 K CA 1.457 57.944 56.287 0.333 0.000 0.933 154 K CB -0.067 32.554 32.500 0.203 0.000 0.721 154 K HN 0.324 nan 8.250 nan 0.000 0.447 155 I N 0.765 121.403 120.570 0.112 0.000 2.406 155 I HA -0.166 4.003 4.170 -0.001 0.000 0.249 155 I C 2.111 178.225 176.117 -0.004 0.000 1.122 155 I CA 0.529 61.873 61.300 0.072 0.000 1.431 155 I CB -0.205 37.816 38.000 0.033 0.000 1.087 155 I HN 0.161 nan 8.210 nan 0.000 0.424 156 E N 1.171 121.313 120.200 -0.097 0.000 2.070 156 E HA -0.229 4.120 4.350 -0.001 0.000 0.197 156 E C 2.328 178.918 176.600 -0.016 0.000 1.004 156 E CA 1.454 57.768 56.400 -0.144 0.000 0.805 156 E CB -0.415 29.010 29.700 -0.459 0.000 0.744 156 E HN 0.492 nan 8.360 nan 0.000 0.451 157 L N 0.304 121.552 121.223 0.041 0.000 2.056 157 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 157 L C 2.579 179.393 176.870 -0.093 0.000 1.078 157 L CA 0.671 55.522 54.840 0.017 0.000 0.749 157 L CB -0.324 41.799 42.059 0.107 0.000 0.901 157 L HN 0.079 nan 8.230 nan 0.000 0.433 158 I N -0.275 120.261 120.570 -0.057 0.000 2.361 158 I HA -0.299 3.871 4.170 -0.001 0.000 0.251 158 I C 2.422 178.482 176.117 -0.096 0.000 1.133 158 I CA 1.427 62.640 61.300 -0.144 0.000 1.413 158 I CB -0.194 37.797 38.000 -0.015 0.000 1.073 158 I HN 0.243 nan 8.210 nan 0.000 0.424 159 K N 0.085 120.464 120.400 -0.035 0.000 2.067 159 K HA -0.052 4.267 4.320 -0.001 0.000 0.203 159 K C 2.008 178.601 176.600 -0.012 0.000 1.048 159 K CA 1.800 58.085 56.287 -0.004 0.000 0.954 159 K CB -0.197 32.314 32.500 0.018 0.000 0.737 159 K HN 0.381 nan 8.250 nan 0.000 0.444 160 T N -0.474 114.067 114.554 -0.021 0.000 3.088 160 T HA 0.139 4.488 4.350 -0.001 0.000 0.259 160 T C 0.937 175.609 174.700 -0.048 0.000 1.122 160 T CA 0.236 62.329 62.100 -0.012 0.000 1.095 160 T CB -0.192 68.686 68.868 0.017 0.000 0.930 160 T HN -0.014 nan 8.240 nan 0.000 0.508 161 I N 2.634 123.135 120.570 -0.114 0.000 2.282 161 I HA 0.255 4.424 4.170 -0.001 0.000 0.290 161 I C -1.771 174.221 176.117 -0.209 0.000 1.090 161 I CA -2.640 58.552 61.300 -0.179 0.000 1.231 161 I CB 1.558 39.368 38.000 -0.318 0.000 1.434 161 I HN -0.106 nan 8.210 nan 0.000 0.487 162 P HA -0.230 nan 4.420 nan 0.000 0.217 162 P C 1.137 178.356 177.300 -0.136 0.000 1.158 162 P CA 1.514 64.559 63.100 -0.092 0.000 0.887 162 P CB 0.279 31.951 31.700 -0.046 0.000 0.792 163 E N -1.090 118.998 120.200 -0.188 0.000 2.160 163 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 163 E C 1.987 178.400 176.600 -0.312 0.000 0.991 163 E CA 0.923 57.197 56.400 -0.210 0.000 0.810 163 E CB -0.766 28.832 29.700 -0.171 0.000 0.742 163 E HN 0.260 nan 8.360 nan 0.000 0.466 164 L N -0.226 120.702 121.223 -0.491 0.000 2.084 164 L HA -0.063 4.276 4.340 -0.001 0.000 0.202 164 L C 2.274 179.060 176.870 -0.139 0.000 1.074 164 L CA 0.796 55.356 54.840 -0.467 0.000 0.757 164 L CB -0.320 41.245 42.059 -0.824 0.000 0.918 164 L HN 0.071 nan 8.230 nan 0.000 0.444 165 S N 0.185 115.807 115.700 -0.130 0.000 2.374 165 S HA -0.265 4.204 4.470 -0.001 0.000 0.227 165 S C 1.884 176.479 174.600 -0.008 0.000 1.037 165 S CA 1.740 59.921 58.200 -0.032 0.000 1.024 165 S CB -0.254 62.927 63.200 -0.031 0.000 0.861 165 S HN 0.218 nan 8.310 nan 0.000 0.456 166 K N 1.508 121.890 120.400 -0.030 0.000 2.074 166 K HA -0.066 4.253 4.320 -0.001 0.000 0.209 166 K C 1.736 178.340 176.600 0.008 0.000 1.048 166 K CA 1.423 57.702 56.287 -0.013 0.000 0.926 166 K CB -0.521 31.966 32.500 -0.021 0.000 0.713 166 K HN 0.390 nan 8.250 nan 0.000 0.444 167 I N 0.715 121.304 120.570 0.031 0.000 2.202 167 I HA -0.210 3.959 4.170 -0.001 0.000 0.242 167 I C 2.053 178.180 176.117 0.016 0.000 1.091 167 I CA 1.478 62.805 61.300 0.045 0.000 1.368 167 I CB -0.255 37.820 38.000 0.124 0.000 1.058 167 I HN 0.275 nan 8.210 nan 0.000 0.410 168 I N -2.335 118.252 120.570 0.028 0.000 3.883 168 I HA 0.384 4.553 4.170 -0.001 0.000 0.326 168 I C 1.322 177.462 176.117 0.038 0.000 1.283 168 I CA 0.745 62.053 61.300 0.012 0.000 1.161 168 I CB 0.303 38.298 38.000 -0.008 0.000 1.012 168 I HN 0.328 nan 8.210 nan 0.000 0.421 169 G N 1.767 110.585 108.800 0.029 0.000 2.201 169 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.212 169 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.212 169 G C 0.140 175.050 174.900 0.017 0.000 0.994 169 G CA -0.026 45.087 45.100 0.021 0.000 0.644 169 G HN 0.345 nan 8.290 nan 0.000 0.508 170 L N 1.906 123.145 121.223 0.027 0.000 2.473 170 L HA 0.481 4.821 4.340 -0.001 0.000 0.268 170 L C 1.541 178.408 176.870 -0.006 0.000 1.215 170 L CA 0.234 55.085 54.840 0.018 0.000 0.823 170 L CB 0.615 42.697 42.059 0.040 0.000 1.099 170 L HN 0.437 nan 8.230 nan 0.000 0.483 171 S N 0.379 116.061 115.700 -0.030 0.000 2.528 171 S HA 0.154 4.623 4.470 -0.001 0.000 0.277 171 S C -0.262 174.329 174.600 -0.015 0.000 1.297 171 S CA -0.800 57.368 58.200 -0.053 0.000 1.052 171 S CB 0.410 63.523 63.200 -0.144 0.000 0.917 171 S HN 0.563 nan 8.310 nan 0.000 0.492 172 E N 2.579 122.771 120.200 -0.014 0.000 2.044 172 E HA 0.367 4.716 4.350 -0.001 0.000 0.282 172 E C -1.072 175.535 176.600 0.012 0.000 1.031 172 E CA -0.429 55.971 56.400 0.000 0.000 0.824 172 E CB 0.728 30.422 29.700 -0.010 0.000 1.076 172 E HN 0.548 nan 8.360 nan 0.000 0.395 173 D N 2.730 123.158 120.400 0.047 0.000 2.602 173 D HA 0.079 4.718 4.640 -0.001 0.000 0.245 173 D C 0.229 176.579 176.300 0.083 0.000 1.325 173 D CA -0.469 53.571 54.000 0.066 0.000 0.952 173 D CB 1.138 41.992 40.800 0.090 0.000 1.317 173 D HN 0.224 nan 8.370 nan 0.000 0.577 174 K N 1.048 121.478 120.400 0.050 0.000 2.281 174 K HA -0.078 4.241 4.320 -0.001 0.000 0.203 174 K C 0.200 176.830 176.600 0.050 0.000 1.046 174 K CA 0.817 57.128 56.287 0.040 0.000 0.938 174 K CB 0.388 32.902 32.500 0.024 0.000 0.737 174 K HN 0.270 nan 8.250 nan 0.000 0.458 175 D N -0.450 119.994 120.400 0.072 0.000 2.615 175 D HA 0.063 4.702 4.640 -0.001 0.000 0.236 175 D C -1.092 175.297 176.300 0.149 0.000 1.233 175 D CA -0.033 54.014 54.000 0.078 0.000 0.829 175 D CB 0.117 40.954 40.800 0.062 0.000 1.024 175 D HN 0.101 nan 8.370 nan 0.000 0.490 176 Y N 0.299 120.600 120.300 0.002 0.000 2.470 176 Y HA 0.418 4.967 4.550 -0.001 0.000 0.341 176 Y C -1.630 174.273 175.900 0.005 0.000 1.021 176 Y CA -0.835 57.267 58.100 0.003 0.000 1.025 176 Y CB 1.586 40.047 38.460 0.002 0.000 1.266 176 Y HN -0.256 nan 8.280 nan 0.000 0.448 177 V N 4.727 124.154 119.914 -0.811 0.000 2.760 177 V HA 0.339 4.458 4.120 -0.001 0.000 0.309 177 V C -1.347 174.319 176.094 -0.713 0.000 1.077 177 V CA -0.950 61.023 62.300 -0.545 0.000 0.910 177 V CB 1.911 33.581 31.823 -0.254 0.000 1.008 177 V HN 0.756 nan 8.190 nan 0.000 0.424 178 D N 3.098 123.275 120.400 -0.372 0.000 2.477 178 D HA 0.223 4.862 4.640 -0.001 0.000 0.239 178 D C 0.241 176.476 176.300 -0.109 0.000 1.102 178 D CA -0.302 53.574 54.000 -0.206 0.000 0.901 178 D CB 1.465 42.238 40.800 -0.045 0.000 1.026 178 D HN 0.741 nan 8.370 nan 0.000 0.515 179 D N 1.026 121.369 120.400 -0.095 0.000 2.349 179 D HA -0.132 4.507 4.640 -0.001 0.000 0.224 179 D C 1.531 177.818 176.300 -0.022 0.000 1.029 179 D CA 0.118 54.095 54.000 -0.039 0.000 0.879 179 D CB -0.078 40.703 40.800 -0.031 0.000 0.906 179 D HN 0.251 nan 8.370 nan 0.000 0.528 180 S N 0.951 116.628 115.700 -0.038 0.000 2.399 180 S HA -0.300 4.170 4.470 -0.001 0.000 0.231 180 S C 1.178 175.754 174.600 -0.039 0.000 1.022 180 S CA 0.911 59.092 58.200 -0.033 0.000 0.983 180 S CB -0.859 62.313 63.200 -0.046 0.000 0.803 180 S HN 0.294 nan 8.310 nan 0.000 0.480 181 N N 0.399 119.058 118.700 -0.069 0.000 2.740 181 N HA -0.155 4.584 4.740 -0.001 0.000 0.248 181 N C -0.124 175.336 175.510 -0.083 0.000 1.062 181 N CA 0.727 53.724 53.050 -0.090 0.000 0.704 181 N CB -2.155 36.314 38.487 -0.029 0.000 0.968 181 N HN 0.848 nan 8.380 nan 0.000 0.547 182 V N -2.209 117.627 119.914 -0.130 0.000 3.264 182 V HA 0.448 4.567 4.120 -0.001 0.000 0.304 182 V C 1.293 177.327 176.094 -0.099 0.000 1.086 182 V CA 0.439 62.654 62.300 -0.142 0.000 1.090 182 V CB 1.285 32.862 31.823 -0.409 0.000 1.112 182 V HN 0.312 nan 8.190 nan 0.000 0.472 183 D N -0.101 120.312 120.400 0.021 0.000 2.388 183 D HA 0.220 4.859 4.640 -0.001 0.000 0.221 183 D C -0.131 176.276 176.300 0.177 0.000 1.133 183 D CA -0.109 53.947 54.000 0.094 0.000 0.831 183 D CB -0.264 40.619 40.800 0.137 0.000 0.962 183 D HN 0.670 nan 8.370 nan 0.000 0.502 184 F N -1.174 118.800 119.950 0.040 0.000 2.619 184 F HA 0.715 5.242 4.527 -0.001 0.000 0.308 184 F C -2.059 173.772 175.800 0.051 0.000 1.097 184 F CA -1.702 56.320 58.000 0.036 0.000 0.953 184 F CB 1.365 40.379 39.000 0.024 0.000 1.287 184 F HN -0.157 nan 8.300 nan 0.000 0.446 185 L N 1.869 123.204 121.223 0.186 0.000 2.445 185 L HA 0.808 5.147 4.340 -0.001 0.000 0.262 185 L C -1.254 175.727 176.870 0.185 0.000 0.974 185 L CA -0.048 54.867 54.840 0.125 0.000 0.822 185 L CB 2.724 44.884 42.059 0.168 0.000 1.339 185 L HN 0.867 nan 8.230 nan 0.000 0.409 186 T N 2.626 117.287 114.554 0.178 0.000 2.906 186 T HA 0.698 5.047 4.350 -0.001 0.000 0.302 186 T C -0.630 174.139 174.700 0.116 0.000 1.002 186 T CA -0.324 61.858 62.100 0.137 0.000 0.988 186 T CB 1.143 70.101 68.868 0.151 0.000 0.972 186 T HN 0.831 nan 8.240 nan 0.000 0.447 187 T N 0.507 115.126 114.554 0.107 0.000 2.883 187 T HA 0.572 4.921 4.350 -0.001 0.000 0.296 187 T C -2.273 172.470 174.700 0.072 0.000 1.117 187 T CA -2.065 60.096 62.100 0.101 0.000 1.006 187 T CB 1.706 70.659 68.868 0.141 0.000 1.191 187 T HN 0.047 nan 8.240 nan 0.000 0.508 188 P HA 0.005 nan 4.420 nan 0.000 0.219 188 P C 0.878 178.205 177.300 0.044 0.000 1.146 188 P CA 1.047 64.169 63.100 0.038 0.000 0.808 188 P CB 0.150 31.869 31.700 0.033 0.000 0.779 189 K N -3.757 116.691 120.400 0.080 0.000 2.440 189 K HA 0.173 4.493 4.320 -0.001 0.000 0.207 189 K C -0.207 176.510 176.600 0.194 0.000 1.112 189 K CA -0.055 56.300 56.287 0.112 0.000 1.036 189 K CB 0.971 33.538 32.500 0.111 0.000 0.935 189 K HN 0.174 nan 8.250 nan 0.000 0.564 190 Y N 1.644 121.951 120.300 0.013 0.000 2.396 190 Y HA 0.399 4.948 4.550 -0.001 0.000 0.332 190 Y C -1.751 174.168 175.900 0.032 0.000 1.034 190 Y CA -1.293 56.809 58.100 0.004 0.000 1.057 190 Y CB 1.040 39.430 38.460 -0.117 0.000 1.220 190 Y HN -0.114 nan 8.280 nan 0.000 0.440 191 L N 4.039 124.943 121.223 -0.531 0.000 2.370 191 L HA 1.067 5.407 4.340 -0.001 0.000 0.266 191 L C -0.763 175.711 176.870 -0.659 0.000 1.002 191 L CA -1.371 53.212 54.840 -0.428 0.000 0.818 191 L CB 2.041 44.011 42.059 -0.148 0.000 1.325 191 L HN 0.648 nan 8.230 nan 0.000 0.418 192 A N 1.983 124.606 122.820 -0.328 0.000 2.317 192 A HA 0.942 5.261 4.320 -0.001 0.000 0.327 192 A C -0.632 176.964 177.584 0.018 0.000 1.178 192 A CA -0.692 51.263 52.037 -0.136 0.000 0.817 192 A CB 1.044 20.074 19.000 0.050 0.000 1.189 192 A HN 0.635 nan 8.150 nan 0.000 0.489 193 R N 1.983 122.499 120.500 0.026 0.000 2.532 193 R HA 0.476 4.816 4.340 -0.001 0.000 0.297 193 R C -3.206 173.137 176.300 0.072 0.000 0.984 193 R CA -2.154 53.984 56.100 0.063 0.000 0.884 193 R CB 1.696 32.015 30.300 0.031 0.000 1.182 193 R HN 0.446 nan 8.270 nan 0.000 0.442 194 P HA 0.256 nan 4.420 nan 0.000 0.275 194 P C -0.454 176.890 177.300 0.073 0.000 1.228 194 P CA -0.449 62.704 63.100 0.088 0.000 0.786 194 P CB 0.847 32.617 31.700 0.116 0.000 0.927 195 C N 2.295 121.626 119.300 0.052 0.000 3.244 195 C HA 0.218 4.678 4.460 -0.001 0.000 0.442 195 C C -1.602 173.361 174.990 -0.045 0.000 0.949 195 C CA -0.606 58.442 59.018 0.050 0.000 1.132 195 C CB 0.416 28.220 27.740 0.107 0.000 1.561 195 C HN 0.684 nan 8.230 nan 0.000 0.639 196 D N 4.467 124.882 120.400 0.026 0.000 2.393 196 D HA 0.287 4.926 4.640 -0.001 0.000 0.232 196 D C 1.148 177.415 176.300 -0.055 0.000 1.192 196 D CA -0.242 53.765 54.000 0.012 0.000 0.882 196 D CB 0.562 41.503 40.800 0.235 0.000 1.038 196 D HN 0.611 nan 8.370 nan 0.000 0.499 197 L N 3.103 124.197 121.223 -0.216 0.000 2.349 197 L HA -0.127 4.213 4.340 -0.001 0.000 0.220 197 L C 1.553 178.348 176.870 -0.125 0.000 1.130 197 L CA 0.497 55.199 54.840 -0.228 0.000 0.791 197 L CB -0.320 41.552 42.059 -0.312 0.000 0.918 197 L HN 0.444 nan 8.230 nan 0.000 0.444 198 N N -0.268 118.416 118.700 -0.027 0.000 2.571 198 N HA -0.098 4.641 4.740 -0.001 0.000 0.189 198 N C 0.352 175.876 175.510 0.024 0.000 1.154 198 N CA 0.662 53.720 53.050 0.013 0.000 0.907 198 N CB -0.104 38.422 38.487 0.065 0.000 0.977 198 N HN 0.231 nan 8.380 nan 0.000 0.449 199 D N -0.063 120.357 120.400 0.034 0.000 2.505 199 D HA 0.227 4.866 4.640 -0.001 0.000 0.242 199 D C 0.483 176.830 176.300 0.080 0.000 1.136 199 D CA -0.271 53.762 54.000 0.056 0.000 0.954 199 D CB 0.371 41.214 40.800 0.071 0.000 1.002 199 D HN -0.183 nan 8.370 nan 0.000 0.512 200 S N 2.104 117.844 115.700 0.066 0.000 2.407 200 S HA -0.209 4.261 4.470 -0.001 0.000 0.235 200 S C 1.672 176.356 174.600 0.141 0.000 1.036 200 S CA 1.204 59.470 58.200 0.110 0.000 1.013 200 S CB 0.174 63.412 63.200 0.064 0.000 0.820 200 S HN 0.493 nan 8.310 nan 0.000 0.476 201 K N 0.482 120.935 120.400 0.088 0.000 2.186 201 K HA 0.177 4.496 4.320 -0.001 0.000 0.202 201 K C 2.206 178.845 176.600 0.066 0.000 1.052 201 K CA 0.675 56.999 56.287 0.063 0.000 0.965 201 K CB -0.147 32.376 32.500 0.038 0.000 0.746 201 K HN 0.326 nan 8.250 nan 0.000 0.457 202 M N 0.147 119.799 119.600 0.086 0.000 2.229 202 M HA -0.116 4.363 4.480 -0.001 0.000 0.264 202 M C 1.803 178.172 176.300 0.116 0.000 1.063 202 M CA 1.413 56.763 55.300 0.083 0.000 1.114 202 M CB -0.009 32.642 32.600 0.085 0.000 1.387 202 M HN 0.094 nan 8.290 nan 0.000 0.420 203 F N 0.646 120.595 119.950 -0.001 0.000 2.113 203 F HA -0.136 4.390 4.527 -0.001 0.000 0.297 203 F C 2.191 177.992 175.800 0.002 0.000 1.103 203 F CA 1.955 59.952 58.000 -0.004 0.000 1.248 203 F CB -0.677 38.313 39.000 -0.017 0.000 0.999 203 F HN 0.125 nan 8.300 nan 0.000 0.475 204 S N -0.317 115.330 115.700 -0.087 0.000 2.382 204 S HA -0.184 4.286 4.470 -0.001 0.000 0.228 204 S C 1.933 176.448 174.600 -0.142 0.000 1.027 204 S CA 1.650 59.742 58.200 -0.179 0.000 0.991 204 S CB -0.759 62.417 63.200 -0.040 0.000 0.823 204 S HN 0.496 nan 8.310 nan 0.000 0.469 205 T N 2.940 117.451 114.554 -0.071 0.000 2.652 205 T HA -0.092 4.257 4.350 -0.001 0.000 0.267 205 T C 1.776 176.434 174.700 -0.071 0.000 1.039 205 T CA 1.292 63.364 62.100 -0.047 0.000 1.153 205 T CB -0.583 68.275 68.868 -0.016 0.000 0.863 205 T HN 0.209 nan 8.240 nan 0.000 0.428 206 L N 1.091 122.256 121.223 -0.096 0.000 2.079 206 L HA -0.024 4.315 4.340 -0.001 0.000 0.210 206 L C 2.187 178.970 176.870 -0.145 0.000 1.081 206 L CA 1.488 56.269 54.840 -0.098 0.000 0.752 206 L CB -0.887 41.139 42.059 -0.055 0.000 0.896 206 L HN 0.277 nan 8.230 nan 0.000 0.433 207 L N -0.451 120.610 121.223 -0.269 0.000 2.043 207 L HA -0.274 4.065 4.340 -0.001 0.000 0.212 207 L C 2.293 179.122 176.870 -0.069 0.000 1.075 207 L CA 1.584 56.300 54.840 -0.206 0.000 0.752 207 L CB -0.758 41.131 42.059 -0.282 0.000 0.891 207 L HN 0.437 nan 8.230 nan 0.000 0.432 208 N N -0.271 118.427 118.700 -0.002 0.000 2.207 208 N HA -0.123 4.616 4.740 -0.001 0.000 0.182 208 N C 1.635 177.199 175.510 0.091 0.000 1.020 208 N CA 0.919 54.063 53.050 0.158 0.000 0.858 208 N CB -0.161 38.438 38.487 0.185 0.000 0.991 208 N HN 0.415 nan 8.380 nan 0.000 0.427 209 E N 0.283 120.491 120.200 0.015 0.000 2.171 209 E HA -0.143 4.206 4.350 -0.001 0.000 0.197 209 E C 1.186 177.759 176.600 -0.046 0.000 0.997 209 E CA 0.878 57.272 56.400 -0.011 0.000 0.810 209 E CB -0.182 29.496 29.700 -0.037 0.000 0.738 209 E HN 0.340 nan 8.360 nan 0.000 0.467 210 C N 0.281 119.533 119.300 -0.079 0.000 2.697 210 C HA 0.087 4.546 4.460 -0.001 0.000 0.267 210 C C 0.516 175.376 174.990 -0.216 0.000 1.278 210 C CA -0.219 58.728 59.018 -0.118 0.000 1.708 210 C CB -0.870 26.813 27.740 -0.095 0.000 1.860 210 C HN 0.429 nan 8.230 nan 0.000 0.589 211 Q N -0.503 119.094 119.800 -0.337 0.000 2.494 211 Q HA -0.212 4.127 4.340 -0.001 0.000 0.272 211 Q C 0.572 176.075 176.000 -0.828 0.000 1.145 211 Q CA 0.431 55.718 55.803 -0.860 0.000 0.943 211 Q CB -1.837 26.588 28.738 -0.522 0.000 1.338 211 Q HN 0.670 nan 8.270 nan 0.000 0.492 212 L N -0.484 120.451 121.223 -0.479 0.000 2.610 212 L HA -0.069 4.271 4.340 -0.001 0.000 0.232 212 L C 1.873 178.648 176.870 -0.158 0.000 1.149 212 L CA 0.919 55.617 54.840 -0.238 0.000 0.872 212 L CB -0.622 41.421 42.059 -0.025 0.000 0.992 212 L HN 0.460 nan 8.230 nan 0.000 0.447 213 Y N -1.783 118.514 120.300 -0.005 0.000 2.457 213 Y HA 0.043 4.593 4.550 -0.001 0.000 0.292 213 Y C 1.110 176.998 175.900 -0.021 0.000 1.125 213 Y CA -0.743 57.351 58.100 -0.009 0.000 1.254 213 Y CB -0.668 37.779 38.460 -0.022 0.000 1.012 213 Y HN 0.020 nan 8.280 nan 0.000 0.555 214 D N 3.386 123.782 120.400 -0.006 0.000 2.426 214 D HA -0.010 4.630 4.640 -0.001 0.000 0.261 214 D C -1.798 174.498 176.300 -0.006 0.000 1.245 214 D CA -1.869 52.154 54.000 0.039 0.000 0.917 214 D CB 1.276 42.025 40.800 -0.085 0.000 1.123 214 D HN 0.128 nan 8.370 nan 0.000 0.508 215 P HA -0.024 nan 4.420 nan 0.000 0.226 215 P C 0.234 177.486 177.300 -0.080 0.000 1.153 215 P CA 0.809 63.886 63.100 -0.038 0.000 0.777 215 P CB 0.168 31.853 31.700 -0.025 0.000 0.794 216 N N -1.273 117.389 118.700 -0.064 0.000 2.467 216 N HA 0.035 4.775 4.740 -0.001 0.000 0.184 216 N C -0.240 175.215 175.510 -0.093 0.000 1.106 216 N CA 0.110 53.114 53.050 -0.076 0.000 0.892 216 N CB 0.107 38.562 38.487 -0.053 0.000 0.969 216 N HN -0.035 nan 8.380 nan 0.000 0.454 217 V N 1.750 121.603 119.914 -0.101 0.000 2.398 217 V HA 0.230 4.350 4.120 -0.001 0.000 0.286 217 V C 0.072 176.091 176.094 -0.126 0.000 1.026 217 V CA -0.852 61.378 62.300 -0.115 0.000 0.868 217 V CB 1.819 33.565 31.823 -0.128 0.000 0.982 217 V HN -0.143 nan 8.190 nan 0.000 0.443 218 V N 5.533 125.373 119.914 -0.123 0.000 2.488 218 V HA 0.300 4.420 4.120 -0.001 0.000 0.277 218 V C 0.197 176.232 176.094 -0.099 0.000 1.046 218 V CA -0.508 61.733 62.300 -0.097 0.000 0.986 218 V CB 1.174 32.972 31.823 -0.042 0.000 0.989 218 V HN 0.779 nan 8.190 nan 0.000 0.475 219 K N 3.479 123.838 120.400 -0.069 0.000 2.159 219 K HA 0.639 4.959 4.320 -0.001 0.000 0.266 219 K C -0.929 175.589 176.600 -0.137 0.000 0.975 219 K CA -0.364 55.801 56.287 -0.203 0.000 0.865 219 K CB 1.895 34.245 32.500 -0.251 0.000 1.087 219 K HN 0.434 nan 8.250 nan 0.000 0.446 220 V N 4.611 124.334 119.914 -0.318 0.000 2.305 220 V HA 0.371 4.490 4.120 -0.001 0.000 0.275 220 V C -0.975 174.899 176.094 -0.367 0.000 1.020 220 V CA -0.779 61.389 62.300 -0.220 0.000 0.811 220 V CB -0.044 31.650 31.823 -0.214 0.000 1.031 220 V HN 0.579 nan 8.190 nan 0.000 0.439 221 F N 3.217 123.094 119.950 -0.122 0.000 2.420 221 F HA 0.514 5.040 4.527 -0.001 0.000 0.352 221 F C 0.316 175.758 175.800 -0.596 0.000 1.108 221 F CA -0.430 57.385 58.000 -0.308 0.000 1.162 221 F CB 1.585 40.422 39.000 -0.272 0.000 1.118 221 F HN 0.179 nan 8.300 nan 0.000 0.510 222 V N 3.617 123.377 119.914 -0.257 0.000 2.409 222 V HA 0.644 4.763 4.120 -0.001 0.000 0.291 222 V C -0.311 175.652 176.094 -0.218 0.000 1.020 222 V CA -0.792 61.347 62.300 -0.269 0.000 0.848 222 V CB 1.535 33.276 31.823 -0.137 0.000 0.990 222 V HN 0.827 nan 8.190 nan 0.000 0.430 223 A N 4.194 126.882 122.820 -0.220 0.000 2.508 223 A HA 0.567 4.887 4.320 -0.001 0.000 0.336 223 A C -0.100 177.490 177.584 0.011 0.000 1.360 223 A CA -0.424 51.585 52.037 -0.047 0.000 0.841 223 A CB 0.243 19.301 19.000 0.098 0.000 1.136 223 A HN 0.824 nan 8.150 nan 0.000 0.489 224 E N 2.575 122.790 120.200 0.025 0.000 2.035 224 E HA 0.426 4.776 4.350 -0.001 0.000 0.271 224 E C -0.500 176.159 176.600 0.098 0.000 0.953 224 E CA -0.443 55.995 56.400 0.062 0.000 0.777 224 E CB 0.400 30.143 29.700 0.071 0.000 1.104 224 E HN 0.652 nan 8.360 nan 0.000 0.408 225 V N 4.010 123.971 119.914 0.078 0.000 5.919 225 V HA -0.296 3.824 4.120 -0.001 0.000 0.195 225 V C 0.446 176.582 176.094 0.071 0.000 0.690 225 V CA 1.372 63.694 62.300 0.037 0.000 0.572 225 V CB -1.943 29.974 31.823 0.157 0.000 0.449 225 V HN 0.770 nan 8.190 nan 0.000 0.430 226 S N 0.161 115.880 115.700 0.031 0.000 3.718 226 S HA 0.249 4.718 4.470 -0.001 0.000 0.238 226 S C 0.759 175.397 174.600 0.063 0.000 1.136 226 S CA 0.088 58.359 58.200 0.119 0.000 0.950 226 S CB 0.043 63.293 63.200 0.082 0.000 1.096 226 S HN 0.406 nan 8.310 nan 0.000 0.467 227 L N 2.559 123.791 121.223 0.015 0.000 2.711 227 L HA 0.348 4.687 4.340 -0.001 0.000 0.242 227 L C 1.727 178.568 176.870 -0.049 0.000 1.153 227 L CA 0.553 55.392 54.840 -0.002 0.000 0.898 227 L CB -1.177 40.898 42.059 0.028 0.000 1.044 227 L HN 0.434 nan 8.230 nan 0.000 0.437 228 A N -2.334 120.399 122.820 -0.145 0.000 2.115 228 A HA 0.030 4.349 4.320 -0.001 0.000 0.211 228 A C 1.773 179.150 177.584 -0.345 0.000 1.169 228 A CA 0.269 52.132 52.037 -0.290 0.000 0.787 228 A CB -0.286 18.441 19.000 -0.455 0.000 0.858 228 A HN 0.385 nan 8.150 nan 0.000 0.474 229 Y N -0.301 119.949 120.300 -0.084 0.000 2.523 229 Y HA 0.271 4.821 4.550 -0.001 0.000 0.279 229 Y C 0.909 176.782 175.900 -0.045 0.000 1.139 229 Y CA -0.087 57.965 58.100 -0.080 0.000 1.296 229 Y CB -0.115 38.318 38.460 -0.044 0.000 1.045 229 Y HN 0.170 nan 8.280 nan 0.000 0.538 230 M N 0.938 120.586 119.600 0.079 0.000 2.314 230 M HA 0.211 4.690 4.480 -0.001 0.000 0.342 230 M C -0.106 176.197 176.300 0.006 0.000 1.171 230 M CA -0.455 54.871 55.300 0.044 0.000 1.098 230 M CB 0.958 33.571 32.600 0.021 0.000 1.559 230 M HN -0.071 nan 8.290 nan 0.000 0.459 231 K N 1.799 122.200 120.400 0.001 0.000 2.436 231 K HA 0.081 4.401 4.320 -0.001 0.000 0.275 231 K C -1.984 174.601 176.600 -0.025 0.000 0.999 231 K CA -1.256 55.019 56.287 -0.019 0.000 0.980 231 K CB -0.044 32.445 32.500 -0.019 0.000 0.919 231 K HN 0.289 nan 8.250 nan 0.000 0.484 232 P HA -0.245 nan 4.420 nan 0.000 0.217 232 P C 0.703 177.997 177.300 -0.009 0.000 1.158 232 P CA 1.603 64.688 63.100 -0.024 0.000 0.887 232 P CB 0.225 31.846 31.700 -0.132 0.000 0.792 233 E N -1.222 118.960 120.200 -0.030 0.000 2.077 233 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 233 E C 2.157 178.741 176.600 -0.027 0.000 0.989 233 E CA 0.987 57.372 56.400 -0.026 0.000 0.800 233 E CB -0.512 29.172 29.700 -0.027 0.000 0.746 233 E HN 0.073 nan 8.360 nan 0.000 0.452 234 R N 0.216 120.701 120.500 -0.024 0.000 2.115 234 R HA -0.014 4.326 4.340 -0.001 0.000 0.230 234 R C 2.369 178.639 176.300 -0.051 0.000 1.111 234 R CA 1.473 57.556 56.100 -0.028 0.000 0.976 234 R CB -0.540 29.751 30.300 -0.014 0.000 0.870 234 R HN 0.338 nan 8.270 nan 0.000 0.445 235 S N 0.039 115.709 115.700 -0.049 0.000 2.421 235 S HA -0.024 4.446 4.470 -0.001 0.000 0.224 235 S C 1.359 175.888 174.600 -0.118 0.000 1.035 235 S CA 0.419 58.575 58.200 -0.074 0.000 0.953 235 S CB 0.002 63.175 63.200 -0.044 0.000 0.810 235 S HN 0.035 nan 8.310 nan 0.000 0.497 236 D N 2.207 122.549 120.400 -0.095 0.000 2.221 236 D HA -0.018 4.622 4.640 -0.001 0.000 0.204 236 D C 1.977 178.193 176.300 -0.139 0.000 0.982 236 D CA 1.228 55.141 54.000 -0.144 0.000 0.857 236 D CB -0.392 40.370 40.800 -0.064 0.000 0.934 236 D HN 0.444 nan 8.370 nan 0.000 0.475 237 S N 0.021 115.669 115.700 -0.087 0.000 2.371 237 S HA -0.048 4.421 4.470 -0.001 0.000 0.224 237 S C 2.002 176.581 174.600 -0.035 0.000 1.029 237 S CA 0.165 58.335 58.200 -0.050 0.000 0.978 237 S CB 0.155 63.343 63.200 -0.021 0.000 0.833 237 S HN 0.205 nan 8.310 nan 0.000 0.466 238 I N 2.033 122.548 120.570 -0.091 0.000 2.163 238 I HA -0.181 3.988 4.170 -0.001 0.000 0.243 238 I C 2.171 178.270 176.117 -0.029 0.000 1.085 238 I CA 1.427 62.650 61.300 -0.128 0.000 1.347 238 I CB -1.185 36.627 38.000 -0.314 0.000 1.044 238 I HN 0.284 nan 8.210 nan 0.000 0.408 239 I N 0.438 120.887 120.570 -0.202 0.000 2.163 239 I HA -0.324 3.845 4.170 -0.001 0.000 0.243 239 I C 2.627 178.689 176.117 -0.092 0.000 1.085 239 I CA 1.591 62.634 61.300 -0.428 0.000 1.347 239 I CB -0.350 37.160 38.000 -0.817 0.000 1.044 239 I HN 0.327 nan 8.210 nan 0.000 0.408 240 E N 1.125 121.271 120.200 -0.091 0.000 2.072 240 E HA -0.212 4.137 4.350 -0.001 0.000 0.191 240 E C 2.285 178.884 176.600 -0.003 0.000 0.985 240 E CA 1.117 57.491 56.400 -0.044 0.000 0.801 240 E CB -0.032 29.627 29.700 -0.069 0.000 0.750 240 E HN 0.455 nan 8.360 nan 0.000 0.452 241 A N 0.617 123.462 122.820 0.043 0.000 1.948 241 A HA -0.246 4.073 4.320 -0.001 0.000 0.220 241 A C 2.399 179.997 177.584 0.023 0.000 1.177 241 A CA 2.521 54.593 52.037 0.059 0.000 0.636 241 A CB -1.176 17.928 19.000 0.174 0.000 0.815 241 A HN 0.544 nan 8.150 nan 0.000 0.449 242 T N -2.180 112.411 114.554 0.062 0.000 3.014 242 T HA -0.084 4.265 4.350 -0.001 0.000 0.263 242 T C 1.948 176.730 174.700 0.138 0.000 1.078 242 T CA 1.455 63.574 62.100 0.033 0.000 1.135 242 T CB -0.758 68.013 68.868 -0.162 0.000 0.895 242 T HN 0.744 nan 8.240 nan 0.000 0.480 243 S N 1.839 117.518 115.700 -0.035 0.000 2.465 243 S HA -0.073 4.397 4.470 -0.001 0.000 0.241 243 S C 1.740 176.179 174.600 -0.267 0.000 1.000 243 S CA 0.701 58.557 58.200 -0.572 0.000 0.964 243 S CB -0.591 62.196 63.200 -0.690 0.000 0.763 243 S HN 0.607 nan 8.310 nan 0.000 0.512 244 K N 0.368 120.708 120.400 -0.101 0.000 2.404 244 K HA 0.263 4.582 4.320 -0.001 0.000 0.194 244 K C -0.166 176.440 176.600 0.011 0.000 1.023 244 K CA 0.006 56.262 56.287 -0.052 0.000 1.094 244 K CB 0.085 32.561 32.500 -0.039 0.000 0.841 244 K HN 0.411 nan 8.250 nan 0.000 0.523 245 M N 1.822 121.459 119.600 0.061 0.000 2.094 245 M HA 0.144 4.623 4.480 -0.001 0.000 0.348 245 M C -0.071 176.286 176.300 0.095 0.000 1.267 245 M CA -0.148 55.224 55.300 0.121 0.000 1.125 245 M CB 0.427 33.167 32.600 0.235 0.000 1.527 245 M HN 0.077 nan 8.290 nan 0.000 0.447 246 E N 4.333 124.566 120.200 0.055 0.000 2.502 246 E HA -0.079 4.271 4.350 -0.001 0.000 0.261 246 E C -0.220 176.376 176.600 -0.006 0.000 0.974 246 E CA 0.381 56.794 56.400 0.022 0.000 0.936 246 E CB 0.348 30.049 29.700 0.001 0.000 0.926 246 E HN 0.605 nan 8.360 nan 0.000 0.459 247 N N 2.339 121.025 118.700 -0.023 0.000 2.663 247 N HA -0.150 4.589 4.740 -0.001 0.000 0.263 247 N C -1.667 173.862 175.510 0.033 0.000 1.109 247 N CA 0.933 53.855 53.050 -0.213 0.000 0.701 247 N CB -1.179 36.999 38.487 -0.514 0.000 0.879 247 N HN 0.250 nan 8.380 nan 0.000 0.550 248 S N 0.405 116.268 115.700 0.273 0.000 2.536 248 S HA 0.437 4.906 4.470 -0.001 0.000 0.287 248 S C -0.590 174.204 174.600 0.323 0.000 1.101 248 S CA -0.676 57.723 58.200 0.333 0.000 0.950 248 S CB 1.995 65.506 63.200 0.519 0.000 1.056 248 S HN 0.260 nan 8.310 nan 0.000 0.481 249 H N 1.110 120.393 119.070 0.356 0.000 2.463 249 H HA 0.447 5.003 4.556 -0.001 0.000 0.332 249 H C -1.352 174.143 175.328 0.277 0.000 1.127 249 H CA -0.274 55.938 56.048 0.272 0.000 1.238 249 H CB 1.363 31.179 29.762 0.091 0.000 1.478 249 H HN 0.503 nan 8.280 nan 0.000 0.499 250 F N 2.807 122.799 119.950 0.070 0.000 2.477 250 F HA 0.399 4.925 4.527 -0.001 0.000 0.335 250 F C -0.757 174.951 175.800 -0.153 0.000 1.130 250 F CA -0.654 57.296 58.000 -0.083 0.000 0.948 250 F CB 0.778 39.514 39.000 -0.440 0.000 1.154 250 F HN 0.334 nan 8.300 nan 0.000 0.439 251 I N 7.705 128.127 120.570 -0.247 0.000 2.355 251 I HA 0.413 4.583 4.170 -0.001 0.000 0.288 251 I C -0.828 175.219 176.117 -0.116 0.000 0.999 251 I CA -0.583 60.592 61.300 -0.209 0.000 1.163 251 I CB 1.698 39.512 38.000 -0.310 0.000 1.316 251 I HN 0.508 nan 8.210 nan 0.000 0.454 252 I N 7.376 127.961 120.570 0.025 0.000 2.436 252 I HA 0.446 4.615 4.170 -0.001 0.000 0.289 252 I C -1.321 174.821 176.117 0.041 0.000 1.010 252 I CA -0.698 60.672 61.300 0.117 0.000 1.098 252 I CB 1.930 40.134 38.000 0.340 0.000 1.266 252 I HN 0.499 nan 8.210 nan 0.000 0.434 253 L N 8.713 129.961 121.223 0.043 0.000 2.342 253 L HA 0.562 4.901 4.340 -0.001 0.000 0.276 253 L C -1.019 175.894 176.870 0.071 0.000 0.997 253 L CA -0.028 54.843 54.840 0.051 0.000 0.838 253 L CB 0.917 43.006 42.059 0.050 0.000 1.224 253 L HN 0.739 nan 8.230 nan 0.000 0.416 254 E N 2.614 122.836 120.200 0.037 0.000 2.442 254 E HA 0.322 4.671 4.350 -0.001 0.000 0.278 254 E C -1.678 174.767 176.600 -0.258 0.000 1.082 254 E CA -1.076 55.282 56.400 -0.070 0.000 0.861 254 E CB 1.087 30.726 29.700 -0.101 0.000 1.462 254 E HN 0.344 nan 8.360 nan 0.000 0.458 255 Q N 0.333 119.863 119.800 -0.450 0.000 2.417 255 Q HA 0.531 4.870 4.340 -0.001 0.000 0.241 255 Q C -0.670 175.160 176.000 -0.283 0.000 1.008 255 Q CA 0.224 55.685 55.803 -0.570 0.000 0.901 255 Q CB 0.754 29.177 28.738 -0.523 0.000 1.259 255 Q HN 0.392 nan 8.270 nan 0.000 0.489 256 L N 1.584 122.677 121.223 -0.217 0.000 2.371 256 L HA 0.570 4.909 4.340 -0.001 0.000 0.262 256 L C -0.396 176.439 176.870 -0.058 0.000 1.006 256 L CA -0.894 53.868 54.840 -0.130 0.000 0.818 256 L CB 1.731 43.696 42.059 -0.158 0.000 1.354 256 L HN 0.682 nan 8.230 nan 0.000 0.415 257 I N -1.860 118.684 120.570 -0.042 0.000 2.954 257 I HA 0.359 4.528 4.170 -0.001 0.000 0.312 257 I C -2.160 173.938 176.117 -0.031 0.000 1.391 257 I CA -1.747 59.565 61.300 0.019 0.000 0.906 257 I CB 0.660 38.683 38.000 0.038 0.000 2.079 257 I HN 0.294 nan 8.210 nan 0.000 0.618 258 P HA -0.181 nan 4.420 nan 0.000 0.218 258 P C 0.817 178.092 177.300 -0.041 0.000 1.147 258 P CA 1.516 64.545 63.100 -0.118 0.000 0.827 258 P CB 0.063 31.630 31.700 -0.221 0.000 0.778 259 K N -1.402 119.021 120.400 0.038 0.000 2.564 259 K HA 0.433 4.753 4.320 -0.001 0.000 0.205 259 K C 0.760 177.487 176.600 0.211 0.000 1.053 259 K CA 0.281 56.642 56.287 0.123 0.000 1.072 259 K CB 0.808 33.431 32.500 0.205 0.000 0.822 259 K HN 0.187 nan 8.250 nan 0.000 0.497 260 G N 2.111 110.990 108.800 0.131 0.000 2.663 260 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.686 260 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.686 260 G C -2.759 172.150 174.900 0.015 0.000 1.288 260 G CA -0.994 44.168 45.100 0.104 0.000 0.836 260 G HN -0.135 nan 8.290 nan 0.000 0.584 261 P HA 0.301 nan 4.420 nan 0.000 0.256 261 P C 0.538 177.413 177.300 -0.709 0.000 1.335 261 P CA 0.689 63.485 63.100 -0.506 0.000 0.808 261 P CB -0.322 30.933 31.700 -0.741 0.000 1.305 262 F N -2.032 117.971 119.950 0.087 0.000 2.798 262 F HA 0.196 4.722 4.527 -0.001 0.000 0.328 262 F C 1.137 176.663 175.800 -0.458 0.000 1.098 262 F CA -0.575 57.353 58.000 -0.120 0.000 1.172 262 F CB 0.446 39.430 39.000 -0.027 0.000 1.072 262 F HN -0.199 nan 8.300 nan 0.000 0.555 263 E N 3.255 123.490 120.200 0.059 0.000 2.414 263 E HA 0.003 4.352 4.350 -0.001 0.000 0.263 263 E C -1.752 174.784 176.600 -0.107 0.000 1.000 263 E CA -1.370 55.044 56.400 0.024 0.000 0.914 263 E CB 1.156 31.085 29.700 0.382 0.000 0.948 263 E HN 0.026 nan 8.360 nan 0.000 0.444 264 P HA -0.205 nan 4.420 nan 0.000 0.217 264 P C 1.213 178.540 177.300 0.044 0.000 1.162 264 P CA 1.492 64.537 63.100 -0.091 0.000 0.901 264 P CB -0.149 31.552 31.700 0.002 0.000 0.793 265 F N -0.175 119.771 119.950 -0.007 0.000 2.163 265 F HA -0.131 4.395 4.527 -0.001 0.000 0.297 265 F C 2.287 178.007 175.800 -0.132 0.000 1.094 265 F CA 1.403 59.355 58.000 -0.081 0.000 1.290 265 F CB -0.510 38.357 39.000 -0.221 0.000 1.017 265 F HN -0.172 nan 8.300 nan 0.000 0.483 266 S N 0.369 116.165 115.700 0.160 0.000 2.359 266 S HA -0.273 4.196 4.470 -0.001 0.000 0.224 266 S C 2.025 176.612 174.600 -0.023 0.000 1.035 266 S CA 1.596 59.879 58.200 0.137 0.000 1.018 266 S CB -0.462 62.880 63.200 0.238 0.000 0.876 266 S HN 0.356 nan 8.310 nan 0.000 0.448 267 K N 0.747 121.120 120.400 -0.045 0.000 2.044 267 K HA -0.180 4.140 4.320 -0.001 0.000 0.210 267 K C 2.332 178.887 176.600 -0.076 0.000 1.049 267 K CA 1.361 57.611 56.287 -0.062 0.000 0.927 267 K CB -0.103 32.373 32.500 -0.039 0.000 0.713 267 K HN 0.219 nan 8.250 nan 0.000 0.443 268 Q N 0.168 119.896 119.800 -0.119 0.000 2.079 268 Q HA -0.159 4.180 4.340 -0.001 0.000 0.200 268 Q C 2.046 177.954 176.000 -0.154 0.000 0.974 268 Q CA 1.442 57.168 55.803 -0.129 0.000 0.840 268 Q CB -0.138 28.498 28.738 -0.169 0.000 0.898 268 Q HN 0.469 nan 8.270 nan 0.000 0.430 269 M N 0.135 119.577 119.600 -0.262 0.000 2.065 269 M HA -0.199 4.281 4.480 -0.001 0.000 0.259 269 M C 2.012 178.237 176.300 -0.126 0.000 1.069 269 M CA 1.421 56.487 55.300 -0.390 0.000 1.110 269 M CB -0.088 32.353 32.600 -0.266 0.000 1.328 269 M HN 0.153 nan 8.290 nan 0.000 0.405 270 L N 0.070 121.278 121.223 -0.025 0.000 2.017 270 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 270 L C 2.756 179.652 176.870 0.044 0.000 1.073 270 L CA 1.341 56.208 54.840 0.045 0.000 0.745 270 L CB -1.006 41.036 42.059 -0.028 0.000 0.894 270 L HN 0.417 nan 8.230 nan 0.000 0.432 271 A N -0.567 122.249 122.820 -0.005 0.000 1.933 271 A HA -0.292 4.027 4.320 -0.001 0.000 0.218 271 A C 2.112 179.695 177.584 -0.002 0.000 1.175 271 A CA 1.959 53.996 52.037 -0.000 0.000 0.628 271 A CB -0.829 18.168 19.000 -0.005 0.000 0.814 271 A HN 0.597 nan 8.150 nan 0.000 0.444 272 H N -1.293 117.694 119.070 -0.138 0.000 2.293 272 H HA -0.113 4.442 4.556 -0.001 0.000 0.300 272 H C 1.611 176.828 175.328 -0.185 0.000 1.082 272 H CA 2.181 58.106 56.048 -0.204 0.000 1.308 272 H CB -0.534 29.019 29.762 -0.348 0.000 1.375 272 H HN 0.438 nan 8.280 nan 0.000 0.495 273 F N 1.058 120.828 119.950 -0.300 0.000 2.171 273 F HA -0.075 4.452 4.527 -0.001 0.000 0.300 273 F C 2.523 178.229 175.800 -0.157 0.000 1.090 273 F CA 1.120 58.962 58.000 -0.262 0.000 1.293 273 F CB -0.121 38.845 39.000 -0.056 0.000 1.013 273 F HN 0.135 nan 8.300 nan 0.000 0.486 274 K N 0.247 120.685 120.400 0.064 0.000 2.063 274 K HA -0.200 4.120 4.320 -0.001 0.000 0.208 274 K C 2.135 178.724 176.600 -0.018 0.000 1.048 274 K CA 1.492 57.794 56.287 0.025 0.000 0.928 274 K CB -0.296 32.214 32.500 0.017 0.000 0.713 274 K HN 0.273 nan 8.250 nan 0.000 0.442 275 R N 0.718 121.182 120.500 -0.060 0.000 2.081 275 R HA -0.082 4.258 4.340 -0.001 0.000 0.235 275 R C 1.553 177.808 176.300 -0.074 0.000 1.131 275 R CA 1.295 57.359 56.100 -0.060 0.000 0.960 275 R CB -0.345 29.921 30.300 -0.055 0.000 0.856 275 R HN 0.168 nan 8.270 nan 0.000 0.436 276 N N 1.025 119.642 118.700 -0.138 0.000 2.575 276 N HA -0.054 4.686 4.740 -0.001 0.000 0.192 276 N C -0.769 174.717 175.510 -0.039 0.000 1.200 276 N CA 0.527 53.520 53.050 -0.094 0.000 0.897 276 N CB -0.200 38.202 38.487 -0.142 0.000 0.990 276 N HN 0.118 nan 8.380 nan 0.000 0.449 277 D N -0.882 119.503 120.400 -0.025 0.000 2.686 277 D HA -0.159 4.480 4.640 -0.001 0.000 0.235 277 D C -0.922 175.366 176.300 -0.020 0.000 1.160 277 D CA 0.926 54.917 54.000 -0.014 0.000 0.645 277 D CB -1.073 39.715 40.800 -0.020 0.000 1.039 277 D HN 0.330 nan 8.370 nan 0.000 0.423 278 S N -1.959 113.751 115.700 0.018 0.000 2.407 278 S HA 0.474 4.943 4.470 -0.001 0.000 0.166 278 S C -2.622 172.096 174.600 0.198 0.000 1.445 278 S CA -1.331 56.864 58.200 -0.008 0.000 1.260 278 S CB 1.393 64.439 63.200 -0.255 0.000 1.401 278 S HN -0.120 nan 8.310 nan 0.000 0.379 279 P HA 0.071 nan 4.420 nan 0.000 0.269 279 P C -0.466 176.873 177.300 0.065 0.000 1.205 279 P CA -0.140 63.028 63.100 0.113 0.000 0.780 279 P CB 0.432 32.163 31.700 0.052 0.000 0.858 280 L N 2.614 123.793 121.223 -0.074 0.000 2.278 280 L HA 0.182 4.521 4.340 -0.001 0.000 0.287 280 L C 1.533 178.333 176.870 -0.117 0.000 1.072 280 L CA -0.001 54.711 54.840 -0.214 0.000 0.819 280 L CB 0.347 42.211 42.059 -0.324 0.000 1.176 280 L HN 0.448 nan 8.230 nan 0.000 0.435 281 Q N 1.204 120.945 119.800 -0.099 0.000 2.388 281 Q HA 0.017 4.356 4.340 -0.001 0.000 0.204 281 Q C 1.928 177.876 176.000 -0.088 0.000 0.946 281 Q CA 0.438 56.199 55.803 -0.071 0.000 0.880 281 Q CB 0.144 28.861 28.738 -0.035 0.000 0.997 281 Q HN 0.693 nan 8.270 nan 0.000 0.552 282 S N 1.537 117.190 115.700 -0.078 0.000 2.387 282 S HA -0.143 4.326 4.470 -0.001 0.000 0.230 282 S C 2.051 176.626 174.600 -0.042 0.000 1.035 282 S CA 1.242 59.418 58.200 -0.040 0.000 1.014 282 S CB -0.378 62.834 63.200 0.019 0.000 0.836 282 S HN 0.220 nan 8.310 nan 0.000 0.466 283 V N 2.147 122.017 119.914 -0.074 0.000 2.594 283 V HA -0.115 4.004 4.120 -0.001 0.000 0.253 283 V C 1.758 177.801 176.094 -0.085 0.000 1.069 283 V CA 1.348 63.610 62.300 -0.064 0.000 1.082 283 V CB -0.533 31.224 31.823 -0.111 0.000 0.680 283 V HN 0.477 nan 8.190 nan 0.000 0.469 284 L N -0.220 120.934 121.223 -0.114 0.000 2.042 284 L HA -0.214 4.126 4.340 -0.001 0.000 0.210 284 L C 2.601 179.368 176.870 -0.171 0.000 1.076 284 L CA 2.328 57.093 54.840 -0.125 0.000 0.749 284 L CB -0.695 41.296 42.059 -0.114 0.000 0.893 284 L HN 0.302 nan 8.230 nan 0.000 0.432 285 K N -0.116 120.119 120.400 -0.276 0.000 2.076 285 K HA -0.095 4.225 4.320 -0.001 0.000 0.204 285 K C 0.069 176.351 176.600 -0.530 0.000 1.051 285 K CA 0.872 56.863 56.287 -0.494 0.000 0.949 285 K CB 0.156 32.175 32.500 -0.802 0.000 0.726 285 K HN 0.196 nan 8.250 nan 0.000 0.443 286 Y N 1.340 121.601 120.300 -0.065 0.000 2.960 286 Y HA 0.184 4.733 4.550 -0.001 0.000 0.343 286 Y C 0.435 176.294 175.900 -0.067 0.000 1.106 286 Y CA -1.196 56.867 58.100 -0.061 0.000 1.221 286 Y CB 0.729 39.153 38.460 -0.059 0.000 1.232 286 Y HN 0.061 nan 8.280 nan 0.000 0.577 287 N N 0.562 119.287 118.700 0.042 0.000 2.084 287 N HA -0.101 4.638 4.740 -0.001 0.000 0.190 287 N C 1.020 176.519 175.510 -0.018 0.000 1.030 287 N CA 1.594 54.642 53.050 -0.004 0.000 0.849 287 N CB -0.061 38.416 38.487 -0.016 0.000 1.012 287 N HN 0.566 nan 8.380 nan 0.000 0.423 288 T N -2.634 111.917 114.554 -0.006 0.000 2.919 288 T HA 0.469 4.818 4.350 -0.001 0.000 0.282 288 T C 1.571 176.247 174.700 -0.040 0.000 1.020 288 T CA -0.739 61.334 62.100 -0.044 0.000 0.994 288 T CB 0.848 69.688 68.868 -0.047 0.000 1.180 288 T HN -0.099 nan 8.240 nan 0.000 0.566 289 I N 0.277 120.805 120.570 -0.069 0.000 2.142 289 I HA -0.108 4.062 4.170 -0.001 0.000 0.240 289 I C 2.830 178.921 176.117 -0.043 0.000 1.078 289 I CA 1.620 62.878 61.300 -0.070 0.000 1.343 289 I CB -0.272 37.672 38.000 -0.094 0.000 1.046 289 I HN 0.776 nan 8.210 nan 0.000 0.405 290 E N 0.438 120.617 120.200 -0.035 0.000 2.110 290 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 290 E C 2.247 178.848 176.600 0.002 0.000 0.988 290 E CA 1.486 57.875 56.400 -0.018 0.000 0.804 290 E CB -0.200 29.489 29.700 -0.017 0.000 0.745 290 E HN 0.358 nan 8.360 nan 0.000 0.458 291 S N -0.416 115.296 115.700 0.021 0.000 2.387 291 S HA -0.256 4.214 4.470 -0.001 0.000 0.230 291 S C 1.852 176.464 174.600 0.020 0.000 1.035 291 S CA 1.402 59.648 58.200 0.077 0.000 1.014 291 S CB -0.256 63.025 63.200 0.135 0.000 0.836 291 S HN 0.274 nan 8.310 nan 0.000 0.466 292 Q N 0.263 120.046 119.800 -0.029 0.000 2.123 292 Q HA 0.017 4.356 4.340 -0.001 0.000 0.199 292 Q C 2.490 178.499 176.000 0.016 0.000 0.966 292 Q CA 1.246 57.005 55.803 -0.072 0.000 0.845 292 Q CB -0.656 28.066 28.738 -0.026 0.000 0.907 292 Q HN 0.552 nan 8.270 nan 0.000 0.439 293 V N 1.669 121.589 119.914 0.009 0.000 2.237 293 V HA -0.306 3.813 4.120 -0.001 0.000 0.245 293 V C 2.380 178.500 176.094 0.044 0.000 1.046 293 V CA 2.003 64.321 62.300 0.030 0.000 1.007 293 V CB -0.675 31.151 31.823 0.005 0.000 0.638 293 V HN 0.398 nan 8.190 nan 0.000 0.445 294 Q N -0.385 119.425 119.800 0.017 0.000 2.152 294 Q HA -0.283 4.056 4.340 -0.001 0.000 0.206 294 Q C 2.439 178.434 176.000 -0.008 0.000 0.985 294 Q CA 2.007 57.819 55.803 0.014 0.000 0.863 294 Q CB -0.392 28.360 28.738 0.025 0.000 0.904 294 Q HN 0.569 nan 8.270 nan 0.000 0.422 295 R N 0.296 120.752 120.500 -0.074 0.000 2.080 295 R HA -0.175 4.164 4.340 -0.001 0.000 0.236 295 R C 1.882 178.051 176.300 -0.217 0.000 1.137 295 R CA 1.588 57.546 56.100 -0.237 0.000 0.943 295 R CB -0.278 29.589 30.300 -0.722 0.000 0.846 295 R HN 0.195 nan 8.270 nan 0.000 0.431 296 F N 1.108 120.959 119.950 -0.166 0.000 2.259 296 F HA -0.023 4.504 4.527 -0.001 0.000 0.298 296 F C 2.050 177.862 175.800 0.020 0.000 1.088 296 F CA 1.584 59.539 58.000 -0.075 0.000 1.358 296 F CB -0.216 38.732 39.000 -0.087 0.000 1.040 296 F HN 0.227 nan 8.300 nan 0.000 0.505 297 N N 0.128 118.911 118.700 0.139 0.000 2.058 297 N HA -0.239 4.500 4.740 -0.001 0.000 0.191 297 N C 1.919 177.431 175.510 0.004 0.000 1.037 297 N CA 1.213 54.295 53.050 0.052 0.000 0.848 297 N CB -0.240 38.256 38.487 0.014 0.000 1.021 297 N HN 0.172 nan 8.380 nan 0.000 0.422 298 K N 1.430 121.821 120.400 -0.015 0.000 2.152 298 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 298 K C 1.232 177.800 176.600 -0.054 0.000 1.048 298 K CA 1.079 57.346 56.287 -0.034 0.000 0.933 298 K CB -0.015 32.468 32.500 -0.029 0.000 0.721 298 K HN 0.197 nan 8.250 nan 0.000 0.447 299 L N -0.624 120.557 121.223 -0.071 0.000 2.653 299 L HA 0.252 4.591 4.340 -0.001 0.000 0.231 299 L C 1.116 177.947 176.870 -0.065 0.000 1.153 299 L CA 0.237 55.020 54.840 -0.096 0.000 0.933 299 L CB 0.732 42.664 42.059 -0.211 0.000 1.175 299 L HN 0.611 nan 8.230 nan 0.000 0.473 300 G N -0.369 108.391 108.800 -0.066 0.000 2.612 300 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.200 300 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.200 300 G C 0.055 174.822 174.900 -0.221 0.000 1.053 300 G CA -0.682 44.300 45.100 -0.196 0.000 0.707 300 G HN 0.072 nan 8.290 nan 0.000 0.497 301 F N 2.370 122.349 119.950 0.050 0.000 2.438 301 F HA 0.625 5.151 4.527 -0.001 0.000 0.360 301 F C 1.408 177.203 175.800 -0.008 0.000 1.118 301 F CA 0.305 58.368 58.000 0.104 0.000 1.164 301 F CB 1.599 40.770 39.000 0.286 0.000 1.131 301 F HN 0.281 nan 8.300 nan 0.000 0.527 302 A N 3.564 126.326 122.820 -0.097 0.000 2.195 302 A HA 0.159 4.478 4.320 -0.001 0.000 0.210 302 A C -0.279 176.991 177.584 -0.523 0.000 1.165 302 A CA 0.264 52.056 52.037 -0.408 0.000 0.806 302 A CB -0.379 18.201 19.000 -0.700 0.000 0.847 302 A HN 0.652 nan 8.150 nan 0.000 0.482 303 Y N -0.527 119.882 120.300 0.182 0.000 2.326 303 Y HA 0.567 5.116 4.550 -0.001 0.000 0.331 303 Y C -0.523 175.512 175.900 0.225 0.000 0.962 303 Y CA -0.965 57.259 58.100 0.206 0.000 1.167 303 Y CB 1.729 40.309 38.460 0.200 0.000 1.148 303 Y HN -0.133 nan 8.280 nan 0.000 0.463 304 V N 2.896 122.925 119.914 0.193 0.000 2.638 304 V HA 0.425 4.544 4.120 -0.001 0.000 0.306 304 V C -1.082 174.837 176.094 -0.292 0.000 1.052 304 V CA -0.960 61.314 62.300 -0.043 0.000 0.885 304 V CB 2.151 33.951 31.823 -0.039 0.000 0.999 304 V HN 0.740 nan 8.190 nan 0.000 0.424 305 N N 3.039 121.419 118.700 -0.533 0.000 2.540 305 N HA 0.643 5.382 4.740 -0.001 0.000 0.275 305 N C -1.683 173.783 175.510 -0.073 0.000 1.053 305 N CA -0.315 52.402 53.050 -0.556 0.000 0.876 305 N CB 1.904 39.540 38.487 -1.420 0.000 1.284 305 N HN 0.551 nan 8.380 nan 0.000 0.518 306 V N 2.236 122.210 119.914 0.100 0.000 2.888 306 V HA 0.998 5.118 4.120 -0.001 0.000 0.309 306 V C -0.361 175.669 176.094 -0.107 0.000 1.114 306 V CA -0.014 62.325 62.300 0.067 0.000 0.940 306 V CB 1.443 33.229 31.823 -0.062 0.000 1.021 306 V HN 0.796 nan 8.190 nan 0.000 0.426 307 G N 3.863 112.355 108.800 -0.514 0.000 2.608 307 G HA2 0.588 4.548 3.960 -0.001 0.000 0.291 307 G HA3 0.588 4.548 3.960 -0.001 0.000 0.291 307 G C -1.680 172.901 174.900 -0.532 0.000 1.425 307 G CA -0.152 44.531 45.100 -0.695 0.000 0.787 307 G HN 0.949 nan 8.290 nan 0.000 0.484 308 D N -0.784 119.413 120.400 -0.338 0.000 2.423 308 D HA 0.330 4.970 4.640 -0.001 0.000 0.255 308 D C 1.750 177.951 176.300 -0.165 0.000 1.174 308 D CA -0.819 53.061 54.000 -0.200 0.000 1.008 308 D CB 0.589 41.333 40.800 -0.093 0.000 1.101 308 D HN 0.164 nan 8.370 nan 0.000 0.516 309 M N -0.481 119.037 119.600 -0.137 0.000 2.202 309 M HA -0.076 4.404 4.480 -0.001 0.000 0.262 309 M C 1.696 178.027 176.300 0.052 0.000 1.063 309 M CA 1.184 56.440 55.300 -0.073 0.000 1.097 309 M CB -1.003 31.459 32.600 -0.230 0.000 1.382 309 M HN 0.512 nan 8.290 nan 0.000 0.413 310 F N 0.937 120.813 119.950 -0.123 0.000 2.367 310 F HA -0.138 4.388 4.527 -0.001 0.000 0.298 310 F C 2.388 178.293 175.800 0.175 0.000 1.094 310 F CA 1.206 59.213 58.000 0.012 0.000 1.409 310 F CB -0.034 38.862 39.000 -0.173 0.000 1.064 310 F HN 0.206 nan 8.300 nan 0.000 0.528 311 Q N -0.513 119.403 119.800 0.194 0.000 2.167 311 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 311 Q C 2.064 178.220 176.000 0.261 0.000 0.970 311 Q CA 1.249 57.153 55.803 0.169 0.000 0.855 311 Q CB -0.247 28.474 28.738 -0.030 0.000 0.911 311 Q HN 0.376 nan 8.270 nan 0.000 0.438 312 L N 0.057 121.427 121.223 0.246 0.000 2.141 312 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 312 L C 1.727 178.865 176.870 0.447 0.000 1.094 312 L CA 1.526 56.618 54.840 0.420 0.000 0.763 312 L CB -0.488 41.789 42.059 0.364 0.000 0.908 312 L HN 0.442 nan 8.230 nan 0.000 0.437 313 W N 0.613 121.979 121.300 0.110 0.000 2.407 313 W HA -0.164 4.495 4.660 -0.001 0.000 0.305 313 W C 1.929 178.418 176.519 -0.051 0.000 1.196 313 W CA 1.531 58.888 57.345 0.019 0.000 1.311 313 W CB -0.064 29.282 29.460 -0.190 0.000 1.135 313 W HN 0.237 nan 8.180 nan 0.000 0.514 314 E N 0.323 120.519 120.200 -0.007 0.000 2.160 314 E HA -0.244 4.106 4.350 -0.001 0.000 0.195 314 E C 2.267 178.864 176.600 -0.005 0.000 0.991 314 E CA 1.839 58.224 56.400 -0.024 0.000 0.810 314 E CB -0.405 29.369 29.700 0.122 0.000 0.742 314 E HN 0.109 nan 8.360 nan 0.000 0.466 315 S N 0.633 116.395 115.700 0.103 0.000 2.447 315 S HA 0.005 4.474 4.470 -0.001 0.000 0.233 315 S C 0.972 175.622 174.600 0.082 0.000 1.006 315 S CA 0.337 58.619 58.200 0.137 0.000 0.957 315 S CB -0.122 63.241 63.200 0.272 0.000 0.773 315 S HN 0.248 nan 8.310 nan 0.000 0.507 316 A N 2.326 125.143 122.820 -0.004 0.000 2.477 316 A HA 0.387 4.706 4.320 -0.001 0.000 0.246 316 A C 0.045 177.540 177.584 -0.149 0.000 1.078 316 A CA -0.187 51.786 52.037 -0.107 0.000 0.770 316 A CB -0.118 18.681 19.000 -0.336 0.000 1.011 316 A HN 0.725 nan 8.150 nan 0.000 0.494 317 D N 1.230 121.566 120.400 -0.106 0.000 2.399 317 D HA 0.094 4.734 4.640 -0.001 0.000 0.241 317 D C 1.067 177.274 176.300 -0.154 0.000 1.133 317 D CA 0.218 54.155 54.000 -0.104 0.000 0.890 317 D CB 0.431 41.191 40.800 -0.068 0.000 1.201 317 D HN 0.723 nan 8.370 nan 0.000 0.432 318 E N 0.891 121.013 120.200 -0.129 0.000 2.209 318 E HA -0.286 4.063 4.350 -0.001 0.000 0.196 318 E C 1.690 178.202 176.600 -0.146 0.000 0.993 318 E CA 1.089 57.404 56.400 -0.141 0.000 0.819 318 E CB -0.310 29.332 29.700 -0.097 0.000 0.745 318 E HN 0.496 nan 8.360 nan 0.000 0.477 319 A N 1.062 123.808 122.820 -0.123 0.000 2.015 319 A HA -0.112 4.208 4.320 -0.001 0.000 0.219 319 A C 2.307 179.796 177.584 -0.159 0.000 1.163 319 A CA 1.745 53.711 52.037 -0.118 0.000 0.646 319 A CB -0.686 18.262 19.000 -0.086 0.000 0.806 319 A HN 0.318 nan 8.150 nan 0.000 0.448 320 T N -0.498 113.938 114.554 -0.196 0.000 2.809 320 T HA -0.042 4.307 4.350 -0.001 0.000 0.260 320 T C 1.996 176.468 174.700 -0.380 0.000 1.039 320 T CA 1.594 63.534 62.100 -0.268 0.000 1.141 320 T CB -0.117 68.595 68.868 -0.261 0.000 0.869 320 T HN 0.457 nan 8.240 nan 0.000 0.437 321 K N 1.297 121.447 120.400 -0.417 0.000 2.063 321 K HA -0.028 4.291 4.320 -0.001 0.000 0.208 321 K C 2.314 178.733 176.600 -0.301 0.000 1.048 321 K CA 1.212 57.208 56.287 -0.486 0.000 0.928 321 K CB -0.041 32.154 32.500 -0.509 0.000 0.713 321 K HN 0.202 nan 8.250 nan 0.000 0.442 322 K N 0.610 120.878 120.400 -0.221 0.000 2.074 322 K HA -0.212 4.108 4.320 -0.001 0.000 0.209 322 K C 2.040 178.538 176.600 -0.170 0.000 1.048 322 K CA 1.758 57.951 56.287 -0.157 0.000 0.926 322 K CB -0.090 32.336 32.500 -0.123 0.000 0.713 322 K HN 0.271 nan 8.250 nan 0.000 0.444 323 E N 0.743 120.820 120.200 -0.205 0.000 2.051 323 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 323 E C 2.160 178.596 176.600 -0.273 0.000 0.991 323 E CA 0.960 57.229 56.400 -0.218 0.000 0.799 323 E CB -0.114 29.452 29.700 -0.223 0.000 0.748 323 E HN 0.223 nan 8.360 nan 0.000 0.449 324 L N 0.448 121.467 121.223 -0.341 0.000 2.012 324 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 324 L C 2.427 179.146 176.870 -0.253 0.000 1.073 324 L CA 0.723 55.348 54.840 -0.357 0.000 0.748 324 L CB -0.415 41.402 42.059 -0.404 0.000 0.891 324 L HN 0.160 nan 8.230 nan 0.000 0.431 325 L N -0.212 120.904 121.223 -0.178 0.000 2.187 325 L HA -0.203 4.136 4.340 -0.001 0.000 0.213 325 L C 2.151 178.949 176.870 -0.121 0.000 1.100 325 L CA 1.730 56.497 54.840 -0.122 0.000 0.765 325 L CB -0.634 41.387 42.059 -0.062 0.000 0.904 325 L HN 0.182 nan 8.230 nan 0.000 0.437 326 K N -1.683 118.624 120.400 -0.154 0.000 2.374 326 K HA 0.116 4.436 4.320 -0.001 0.000 0.196 326 K C 1.784 178.265 176.600 -0.198 0.000 1.023 326 K CA -0.102 56.103 56.287 -0.138 0.000 1.103 326 K CB 0.441 32.870 32.500 -0.117 0.000 0.848 326 K HN 0.087 nan 8.250 nan 0.000 0.528 327 V N 1.897 121.628 119.914 -0.305 0.000 2.244 327 V HA -0.194 3.925 4.120 -0.001 0.000 0.244 327 V C 0.971 176.853 176.094 -0.354 0.000 1.042 327 V CA 1.479 63.512 62.300 -0.446 0.000 1.006 327 V CB -0.262 31.008 31.823 -0.923 0.000 0.641 327 V HN 0.466 nan 8.190 nan 0.000 0.446 328 E N -0.252 119.768 120.200 -0.299 0.000 2.383 328 E HA 0.440 4.789 4.350 -0.001 0.000 0.275 328 E C -3.122 173.431 176.600 -0.078 0.000 0.918 328 E CA -2.427 53.869 56.400 -0.174 0.000 0.764 328 E CB 1.709 31.334 29.700 -0.125 0.000 1.252 328 E HN 0.052 nan 8.360 nan 0.000 0.449 329 P HA 0.079 nan 4.420 nan 0.000 0.264 329 P C -1.474 175.873 177.300 0.079 0.000 1.193 329 P CA 0.337 63.418 63.100 -0.032 0.000 0.763 329 P CB 0.003 31.590 31.700 -0.187 0.000 0.810 330 F N 2.532 122.453 119.950 -0.049 0.000 2.596 330 F HA 0.416 4.942 4.527 -0.001 0.000 0.311 330 F C -0.629 175.155 175.800 -0.027 0.000 1.116 330 F CA -0.552 57.413 58.000 -0.059 0.000 0.957 330 F CB 2.273 41.219 39.000 -0.090 0.000 1.250 330 F HN 0.211 nan 8.300 nan 0.000 0.444 331 D N 3.102 123.050 120.400 -0.752 0.000 2.969 331 D HA 0.142 4.781 4.640 -0.001 0.000 0.317 331 D C -1.361 174.559 176.300 -0.633 0.000 1.650 331 D CA 0.049 53.760 54.000 -0.482 0.000 0.789 331 D CB 0.333 41.015 40.800 -0.196 0.000 1.277 331 D HN 0.522 nan 8.370 nan 0.000 0.463 332 E N 0.587 120.105 120.200 -1.136 0.000 2.561 332 E HA 0.251 4.600 4.350 -0.001 0.000 0.225 332 E C 0.635 177.051 176.600 -0.307 0.000 1.035 332 E CA -0.267 55.796 56.400 -0.563 0.000 0.904 332 E CB 1.408 30.866 29.700 -0.404 0.000 1.291 332 E HN 0.158 nan 8.360 nan 0.000 0.444 333 L N 0.885 122.064 121.223 -0.072 0.000 2.416 333 L HA 0.152 4.491 4.340 -0.001 0.000 0.216 333 L C 1.302 178.121 176.870 -0.086 0.000 1.098 333 L CA 1.432 56.281 54.840 0.016 0.000 0.840 333 L CB 0.353 42.281 42.059 -0.218 0.000 0.981 333 L HN 0.224 nan 8.230 nan 0.000 0.462 334 E N -0.121 120.171 120.200 0.152 0.000 2.150 334 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 334 E C 1.975 178.729 176.600 0.257 0.000 0.985 334 E CA 1.321 57.888 56.400 0.277 0.000 0.814 334 E CB -0.052 29.898 29.700 0.418 0.000 0.752 334 E HN 0.535 nan 8.360 nan 0.000 0.466 335 E N -0.262 120.082 120.200 0.241 0.000 2.072 335 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 335 E C 1.699 178.476 176.600 0.294 0.000 0.985 335 E CA 0.671 57.236 56.400 0.275 0.000 0.801 335 E CB -0.153 29.691 29.700 0.240 0.000 0.750 335 E HN 0.191 nan 8.360 nan 0.000 0.452 336 F N 1.434 121.469 119.950 0.142 0.000 2.126 336 F HA -0.244 4.282 4.527 -0.001 0.000 0.299 336 F C 2.227 178.125 175.800 0.162 0.000 1.096 336 F CA 1.625 59.728 58.000 0.172 0.000 1.255 336 F CB -0.153 38.922 39.000 0.125 0.000 0.997 336 F HN 0.085 nan 8.300 nan 0.000 0.479 337 H N 0.420 119.507 119.070 0.028 0.000 2.267 337 H HA -0.154 4.401 4.556 -0.001 0.000 0.297 337 H C 2.504 177.617 175.328 -0.359 0.000 1.080 337 H CA 2.108 57.975 56.048 -0.301 0.000 1.278 337 H CB -1.004 28.663 29.762 -0.157 0.000 1.365 337 H HN 0.272 nan 8.280 nan 0.000 0.489 338 L N -0.373 120.856 121.223 0.010 0.000 1.971 338 L HA -0.239 4.100 4.340 -0.001 0.000 0.215 338 L C 2.579 179.153 176.870 -0.493 0.000 1.072 338 L CA 1.838 56.590 54.840 -0.148 0.000 0.758 338 L CB -0.793 41.170 42.059 -0.160 0.000 0.889 338 L HN 0.178 nan 8.230 nan 0.000 0.433 339 F N 0.410 119.899 119.950 -0.768 0.000 2.063 339 F HA -0.329 4.197 4.527 -0.001 0.000 0.298 339 F C 2.599 178.182 175.800 -0.362 0.000 1.109 339 F CA 1.756 59.349 58.000 -0.679 0.000 1.212 339 F CB -0.891 37.832 39.000 -0.461 0.000 0.973 339 F HN 0.080 nan 8.300 nan 0.000 0.480 340 C N 0.740 119.544 119.300 -0.827 0.000 2.398 340 C HA -0.247 4.212 4.460 -0.001 0.000 0.276 340 C C 2.693 177.363 174.990 -0.532 0.000 1.222 340 C CA 1.467 59.967 59.018 -0.863 0.000 1.746 340 C CB -1.718 25.675 27.740 -0.578 0.000 2.039 340 C HN 0.576 nan 8.230 nan 0.000 0.470 341 H N -0.919 117.954 119.070 -0.328 0.000 2.545 341 H HA -0.017 4.538 4.556 -0.001 0.000 0.282 341 H C 1.444 176.529 175.328 -0.405 0.000 1.020 341 H CA 1.005 56.859 56.048 -0.322 0.000 1.243 341 H CB -0.449 29.119 29.762 -0.324 0.000 1.377 341 H HN 0.694 nan 8.280 nan 0.000 0.581 342 H N -1.409 117.530 119.070 -0.220 0.000 2.505 342 H HA 0.108 4.664 4.556 -0.001 0.000 0.289 342 H C -0.521 174.624 175.328 -0.304 0.000 1.052 342 H CA 0.089 56.037 56.048 -0.167 0.000 1.156 342 H CB 0.313 30.059 29.762 -0.026 0.000 1.507 342 H HN 0.209 nan 8.280 nan 0.000 0.548 343 Y N 0.262 120.396 120.300 -0.277 0.000 2.361 343 Y HA 0.249 4.798 4.550 -0.001 0.000 0.328 343 Y C -0.546 175.215 175.900 -0.231 0.000 1.044 343 Y CA -0.656 57.283 58.100 -0.269 0.000 1.085 343 Y CB 2.146 40.338 38.460 -0.447 0.000 1.194 343 Y HN -0.139 nan 8.280 nan 0.000 0.438 344 V N 5.768 125.647 119.914 -0.059 0.000 2.547 344 V HA 0.632 4.751 4.120 -0.001 0.000 0.299 344 V C -1.477 174.586 176.094 -0.053 0.000 1.040 344 V CA -0.781 61.466 62.300 -0.088 0.000 0.913 344 V CB 1.742 33.505 31.823 -0.100 0.000 0.992 344 V HN 0.593 nan 8.190 nan 0.000 0.449 345 L N 7.464 128.634 121.223 -0.087 0.000 2.316 345 L HA 0.651 4.991 4.340 -0.001 0.000 0.280 345 L C -0.784 176.080 176.870 -0.010 0.000 1.006 345 L CA 0.093 54.916 54.840 -0.028 0.000 0.836 345 L CB 0.938 43.008 42.059 0.018 0.000 1.221 345 L HN 0.805 nan 8.230 nan 0.000 0.418 346 C N 5.314 124.597 119.300 -0.028 0.000 2.322 346 C HA 0.563 5.023 4.460 -0.001 0.000 0.324 346 C C -0.919 174.012 174.990 -0.098 0.000 1.249 346 C CA -0.479 58.487 59.018 -0.087 0.000 1.453 346 C CB -0.012 27.618 27.740 -0.183 0.000 2.145 346 C HN 0.851 nan 8.230 nan 0.000 0.466 347 H N 3.817 122.795 119.070 -0.155 0.000 2.541 347 H HA 0.714 5.269 4.556 -0.001 0.000 0.316 347 H C -0.341 174.938 175.328 -0.081 0.000 1.043 347 H CA 0.134 56.132 56.048 -0.083 0.000 1.232 347 H CB 1.398 31.191 29.762 0.052 0.000 1.406 347 H HN 0.883 nan 8.280 nan 0.000 0.469 348 A N 4.005 126.961 122.820 0.227 0.000 2.374 348 A HA 0.715 5.035 4.320 -0.001 0.000 0.317 348 A C -0.569 177.208 177.584 0.322 0.000 1.094 348 A CA -0.607 51.477 52.037 0.078 0.000 0.765 348 A CB 1.244 19.974 19.000 -0.451 0.000 1.268 348 A HN 0.678 nan 8.150 nan 0.000 0.438 349 T N 1.184 115.992 114.554 0.422 0.000 2.906 349 T HA 0.424 4.774 4.350 -0.001 0.000 0.295 349 T C 0.297 175.319 174.700 0.536 0.000 1.061 349 T CA -0.483 61.795 62.100 0.297 0.000 1.000 349 T CB 1.453 70.233 68.868 -0.146 0.000 1.103 349 T HN 0.764 nan 8.240 nan 0.000 0.486 350 N N 0.225 119.158 118.700 0.387 0.000 2.204 350 N HA 0.097 4.837 4.740 -0.001 0.000 0.219 350 N C -0.485 175.242 175.510 0.361 0.000 1.151 350 N CA -0.549 52.652 53.050 0.251 0.000 0.867 350 N CB -0.179 38.250 38.487 -0.097 0.000 1.043 350 N HN 0.772 nan 8.380 nan 0.000 0.516 351 Y N -1.586 118.815 120.300 0.169 0.000 2.477 351 Y HA 0.500 5.049 4.550 -0.001 0.000 0.347 351 Y C 0.885 176.628 175.900 -0.260 0.000 0.981 351 Y CA -1.272 56.849 58.100 0.035 0.000 1.033 351 Y CB 1.465 39.905 38.460 -0.034 0.000 1.245 351 Y HN -0.069 nan 8.280 nan 0.000 0.455 352 K N 0.397 120.592 120.400 -0.343 0.000 2.400 352 K HA 0.085 4.405 4.320 -0.001 0.000 0.194 352 K C 0.348 176.716 176.600 -0.387 0.000 1.033 352 K CA 1.036 56.836 56.287 -0.810 0.000 1.021 352 K CB 0.192 32.376 32.500 -0.527 0.000 0.808 352 K HN 0.710 nan 8.250 nan 0.000 0.505 353 E N 0.974 121.131 120.200 -0.072 0.000 2.085 353 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 353 E C -0.134 176.424 176.600 -0.072 0.000 0.994 353 E CA 0.850 57.264 56.400 0.024 0.000 0.801 353 E CB -0.189 29.639 29.700 0.213 0.000 0.743 353 E HN 0.365 nan 8.360 nan 0.000 0.453 354 F N 0.669 120.406 119.950 -0.354 0.000 2.506 354 F HA 0.283 4.809 4.527 -0.001 0.000 0.371 354 F C -0.067 175.374 175.800 -0.598 0.000 1.078 354 F CA -0.643 57.082 58.000 -0.457 0.000 1.195 354 F CB 0.320 38.910 39.000 -0.684 0.000 1.099 354 F HN -0.135 nan 8.300 nan 0.000 0.548 355 A N 6.676 128.886 122.820 -1.016 0.000 2.317 355 A HA 0.551 4.871 4.320 -0.001 0.000 0.327 355 A C -1.182 175.844 177.584 -0.930 0.000 1.178 355 A CA -0.632 50.948 52.037 -0.762 0.000 0.817 355 A CB 0.170 18.919 19.000 -0.419 0.000 1.189 355 A HN 0.689 nan 8.150 nan 0.000 0.489 356 F N 2.626 122.411 119.950 -0.275 0.000 2.464 356 F HA 0.232 4.759 4.527 -0.001 0.000 0.353 356 F C 1.727 177.476 175.800 -0.085 0.000 1.191 356 F CA 0.196 58.107 58.000 -0.148 0.000 1.147 356 F CB 0.289 39.253 39.000 -0.060 0.000 1.294 356 F HN 0.648 nan 8.300 nan 0.000 0.583 357 T N -0.706 113.887 114.554 0.065 0.000 2.855 357 T HA -0.047 4.302 4.350 -0.001 0.000 0.314 357 T C 1.240 175.998 174.700 0.097 0.000 1.077 357 T CA -0.698 61.443 62.100 0.070 0.000 1.095 357 T CB 0.922 69.843 68.868 0.089 0.000 0.987 357 T HN 0.530 nan 8.240 nan 0.000 0.546 358 Q N 1.359 121.173 119.800 0.023 0.000 2.368 358 Q HA -0.055 4.284 4.340 -0.001 0.000 0.210 358 Q C 2.387 178.342 176.000 -0.076 0.000 0.982 358 Q CA 1.595 57.392 55.803 -0.010 0.000 0.884 358 Q CB -0.962 27.767 28.738 -0.015 0.000 0.933 358 Q HN 1.014 nan 8.270 nan 0.000 0.460 359 G N -1.004 107.712 108.800 -0.141 0.000 2.432 359 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 359 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 359 G C 0.838 175.373 174.900 -0.608 0.000 1.135 359 G CA 0.478 45.326 45.100 -0.420 0.000 0.767 359 G HN 0.348 nan 8.290 nan 0.000 0.550 360 F N -0.772 119.125 119.950 -0.088 0.000 2.767 360 F HA 0.457 4.983 4.527 -0.001 0.000 0.323 360 F C 0.829 176.378 175.800 -0.419 0.000 1.091 360 F CA -0.766 57.118 58.000 -0.192 0.000 1.192 360 F CB 0.376 39.338 39.000 -0.063 0.000 1.056 360 F HN -0.098 nan 8.300 nan 0.000 0.571 361 L N 1.389 122.543 121.223 -0.115 0.000 2.456 361 L HA 0.199 4.538 4.340 -0.001 0.000 0.272 361 L C -0.956 175.763 176.870 -0.251 0.000 1.189 361 L CA -0.204 54.534 54.840 -0.169 0.000 0.846 361 L CB 0.460 42.512 42.059 -0.012 0.000 1.111 361 L HN -0.140 nan 8.230 nan 0.000 0.475 362 F N 1.693 121.651 119.950 0.012 0.000 2.415 362 F HA 0.290 4.816 4.527 -0.001 0.000 0.348 362 F C 0.894 176.696 175.800 0.003 0.000 1.119 362 F CA -0.865 57.143 58.000 0.012 0.000 1.069 362 F CB 0.654 39.650 39.000 -0.007 0.000 1.124 362 F HN 0.561 nan 8.300 nan 0.000 0.472 363 D N 1.599 122.130 120.400 0.218 0.000 2.455 363 D HA 0.502 5.141 4.640 -0.001 0.000 0.241 363 D C 0.627 176.984 176.300 0.094 0.000 1.138 363 D CA -0.228 53.845 54.000 0.121 0.000 0.877 363 D CB 0.218 41.078 40.800 0.101 0.000 1.187 363 D HN 0.894 nan 8.370 nan 0.000 0.451 364 R N 0.989 121.523 120.500 0.057 0.000 2.679 364 R HA 0.516 4.856 4.340 -0.001 0.000 0.268 364 R C 1.084 177.391 176.300 0.011 0.000 1.044 364 R CA 0.216 56.333 56.100 0.029 0.000 1.105 364 R CB -0.602 29.709 30.300 0.018 0.000 0.989 364 R HN 1.214 nan 8.270 nan 0.000 0.447 365 S N -0.208 115.485 115.700 -0.012 0.000 2.498 365 S HA 0.477 4.947 4.470 -0.001 0.000 0.281 365 S C 0.944 175.522 174.600 -0.036 0.000 1.265 365 S CA -0.068 58.111 58.200 -0.034 0.000 1.071 365 S CB -0.014 63.150 63.200 -0.061 0.000 0.894 365 S HN 1.509 nan 8.310 nan 0.000 0.491 366 I N 1.298 121.844 120.570 -0.040 0.000 2.533 366 I HA 0.651 4.820 4.170 -0.001 0.000 0.284 366 I C 1.090 177.171 176.117 -0.060 0.000 1.109 366 I CA -0.528 60.745 61.300 -0.043 0.000 1.412 366 I CB -1.461 36.512 38.000 -0.045 0.000 1.396 366 I HN 1.177 nan 8.210 nan 0.000 0.543 367 S N 3.910 119.579 115.700 -0.051 0.000 2.554 367 S HA 0.487 4.956 4.470 -0.001 0.000 0.290 367 S C 0.663 175.222 174.600 -0.068 0.000 1.309 367 S CA 0.497 58.665 58.200 -0.054 0.000 1.047 367 S CB -0.215 62.961 63.200 -0.041 0.000 0.828 367 S HN 2.079 nan 8.310 nan 0.000 0.509 368 E N -0.517 119.642 120.200 -0.067 0.000 2.319 368 E HA 0.687 5.036 4.350 -0.001 0.000 0.268 368 E C 0.012 176.583 176.600 -0.048 0.000 1.050 368 E CA -0.178 56.181 56.400 -0.069 0.000 0.878 368 E CB 0.573 30.230 29.700 -0.073 0.000 1.066 368 E HN 1.991 nan 8.360 nan 0.000 0.406 369 I N 0.049 120.598 120.570 -0.035 0.000 2.392 369 I HA 0.727 4.897 4.170 -0.001 0.000 0.295 369 I C 0.567 176.684 176.117 0.000 0.000 0.985 369 I CA -0.329 60.965 61.300 -0.010 0.000 1.221 369 I CB 0.390 38.401 38.000 0.019 0.000 1.366 369 I HN 1.085 nan 8.210 nan 0.000 0.467 370 N N 2.698 121.395 118.700 -0.005 0.000 2.518 370 N HA 0.948 5.687 4.740 -0.001 0.000 0.283 370 N C -0.483 175.026 175.510 -0.002 0.000 1.119 370 N CA 0.322 53.367 53.050 -0.008 0.000 0.983 370 N CB 1.214 39.692 38.487 -0.015 0.000 1.139 370 N HN 2.319 nan 8.380 nan 0.000 0.465 371 L N -0.023 121.196 121.223 -0.007 0.000 2.333 371 L HA 0.902 5.242 4.340 -0.001 0.000 0.269 371 L C 0.861 177.721 176.870 -0.015 0.000 1.010 371 L CA -1.050 53.784 54.840 -0.011 0.000 0.818 371 L CB 0.913 42.965 42.059 -0.013 0.000 1.306 371 L HN 0.754 nan 8.230 nan 0.000 0.430 372 T N 1.688 116.233 114.554 -0.016 0.000 2.834 372 T HA 0.433 4.782 4.350 -0.001 0.000 0.298 372 T C 0.536 175.229 174.700 -0.011 0.000 0.966 372 T CA -0.087 62.005 62.100 -0.013 0.000 1.141 372 T CB 0.755 69.617 68.868 -0.010 0.000 0.905 372 T HN 0.702 nan 8.240 nan 0.000 0.535 373 V N 4.314 124.221 119.914 -0.011 0.000 2.673 373 V HA -0.007 4.112 4.120 -0.001 0.000 0.303 373 V C 1.025 177.119 176.094 0.002 0.000 1.046 373 V CA -0.183 62.112 62.300 -0.008 0.000 1.126 373 V CB 0.619 32.434 31.823 -0.012 0.000 0.934 373 V HN 0.850 nan 8.190 nan 0.000 0.487 374 D N 4.074 124.482 120.400 0.012 0.000 2.383 374 D HA 0.034 4.673 4.640 -0.001 0.000 0.252 374 D C 0.820 177.138 176.300 0.029 0.000 1.166 374 D CA -0.159 53.862 54.000 0.035 0.000 0.879 374 D CB 1.111 41.949 40.800 0.064 0.000 1.164 374 D HN 0.584 nan 8.370 nan 0.000 0.462 375 E N 2.597 122.810 120.200 0.022 0.000 2.478 375 E HA -0.038 4.311 4.350 -0.001 0.000 0.194 375 E C 0.084 176.661 176.600 -0.038 0.000 1.045 375 E CA 0.376 56.773 56.400 -0.006 0.000 0.868 375 E CB 0.580 30.275 29.700 -0.009 0.000 0.885 375 E HN 0.499 nan 8.360 nan 0.000 0.505 376 D N -0.990 119.395 120.400 -0.025 0.000 2.597 376 D HA 0.070 4.709 4.640 -0.001 0.000 0.261 376 D C -0.050 175.994 176.300 -0.427 0.000 1.023 376 D CA 0.584 54.457 54.000 -0.211 0.000 0.927 376 D CB 0.392 41.103 40.800 -0.150 0.000 1.168 376 D HN 0.076 nan 8.370 nan 0.000 0.491 377 Y N 0.530 120.820 120.300 -0.016 0.000 2.499 377 Y HA 0.474 5.024 4.550 -0.001 0.000 0.347 377 Y C 0.094 175.979 175.900 -0.025 0.000 0.987 377 Y CA -1.088 57.001 58.100 -0.019 0.000 1.044 377 Y CB 1.879 40.328 38.460 -0.018 0.000 1.245 377 Y HN -0.253 nan 8.280 nan 0.000 0.461 378 Q N 0.868 120.734 119.800 0.111 0.000 2.553 378 Q HA 0.656 4.996 4.340 -0.001 0.000 0.293 378 Q C -2.090 173.927 176.000 0.028 0.000 1.038 378 Q CA -1.214 54.616 55.803 0.046 0.000 0.777 378 Q CB 2.010 30.753 28.738 0.009 0.000 1.487 378 Q HN 0.415 nan 8.270 nan 0.000 0.426 379 L N 1.473 122.698 121.223 0.004 0.000 2.325 379 L HA 0.568 4.908 4.340 -0.001 0.000 0.279 379 L C -0.887 175.969 176.870 -0.023 0.000 1.054 379 L CA -0.669 54.163 54.840 -0.014 0.000 0.804 379 L CB 1.529 43.579 42.059 -0.015 0.000 1.200 379 L HN 0.683 nan 8.230 nan 0.000 0.436 380 L N 2.872 124.073 121.223 -0.036 0.000 2.661 380 L HA 0.250 4.589 4.340 -0.001 0.000 0.263 380 L C -0.546 176.294 176.870 -0.050 0.000 0.956 380 L CA -0.509 54.306 54.840 -0.041 0.000 0.918 380 L CB 1.899 43.943 42.059 -0.025 0.000 1.280 380 L HN 0.649 nan 8.230 nan 0.000 0.416 381 E N 2.281 122.433 120.200 -0.081 0.000 2.696 381 E HA -0.073 4.277 4.350 -0.001 0.000 0.270 381 E C 0.079 176.665 176.600 -0.023 0.000 0.958 381 E CA 0.758 57.104 56.400 -0.091 0.000 0.964 381 E CB 0.346 29.915 29.700 -0.218 0.000 0.948 381 E HN 0.478 nan 8.360 nan 0.000 0.472 382 C N 4.272 123.582 119.300 0.017 0.000 3.233 382 C HA 0.112 4.571 4.460 -0.001 0.000 0.299 382 C C -0.585 174.454 174.990 0.083 0.000 1.060 382 C CA -0.586 58.479 59.018 0.079 0.000 1.382 382 C CB -0.700 27.134 27.740 0.156 0.000 1.828 382 C HN 0.732 nan 8.230 nan 0.000 0.530 383 E N 2.100 122.338 120.200 0.062 0.000 2.966 383 E HA -0.092 4.257 4.350 -0.001 0.000 0.254 383 E C 0.182 176.802 176.600 0.034 0.000 0.923 383 E CA 0.616 57.047 56.400 0.053 0.000 0.960 383 E CB 0.352 30.083 29.700 0.052 0.000 0.901 383 E HN 0.655 nan 8.360 nan 0.000 0.525 384 C N 6.383 125.695 119.300 0.021 0.000 3.495 384 C HA 0.249 4.708 4.460 -0.001 0.000 0.201 384 C C -2.460 172.509 174.990 -0.036 0.000 1.408 384 C CA -1.761 57.248 59.018 -0.014 0.000 1.367 384 C CB -0.336 27.398 27.740 -0.011 0.000 1.845 384 C HN 0.497 nan 8.230 nan 0.000 0.500 385 P HA 0.099 nan 4.420 nan 0.000 0.231 385 P C 1.143 178.402 177.300 -0.068 0.000 1.756 385 P CA 0.317 63.394 63.100 -0.038 0.000 0.990 385 P CB -0.610 31.077 31.700 -0.021 0.000 1.973 386 I N -3.323 117.179 120.570 -0.113 0.000 2.916 386 I HA -0.088 4.081 4.170 -0.001 0.000 0.267 386 I C -0.117 175.916 176.117 -0.141 0.000 1.263 386 I CA 0.433 61.629 61.300 -0.173 0.000 1.471 386 I CB -0.697 37.101 38.000 -0.337 0.000 1.089 386 I HN -0.021 nan 8.210 nan 0.000 0.468 387 N N 3.042 121.683 118.700 -0.098 0.000 2.725 387 N HA -0.210 4.529 4.740 -0.001 0.000 0.251 387 N C -0.662 174.815 175.510 -0.055 0.000 1.031 387 N CA 1.396 54.410 53.050 -0.060 0.000 0.720 387 N CB -0.917 37.547 38.487 -0.039 0.000 0.930 387 N HN 0.845 nan 8.380 nan 0.000 0.543 388 R N -1.694 118.762 120.500 -0.073 0.000 2.664 388 R HA 0.520 4.860 4.340 -0.001 0.000 0.266 388 R C -1.055 175.244 176.300 -0.000 0.000 1.046 388 R CA -1.150 54.935 56.100 -0.025 0.000 0.885 388 R CB 1.638 31.929 30.300 -0.015 0.000 1.254 388 R HN 0.139 nan 8.270 nan 0.000 0.465 389 K N 0.823 121.264 120.400 0.068 0.000 2.328 389 K HA 0.556 4.875 4.320 -0.001 0.000 0.246 389 K C -0.880 175.812 176.600 0.154 0.000 0.955 389 K CA -0.940 55.363 56.287 0.026 0.000 0.817 389 K CB 1.320 33.836 32.500 0.027 0.000 1.208 389 K HN 0.530 nan 8.250 nan 0.000 0.432 390 F N -0.348 119.624 119.950 0.036 0.000 3.080 390 F HA -0.227 4.300 4.527 -0.001 0.000 0.292 390 F C 0.650 176.351 175.800 -0.165 0.000 0.891 390 F CA 0.666 58.620 58.000 -0.078 0.000 1.086 390 F CB -1.513 37.435 39.000 -0.086 0.000 1.095 390 F HN 0.919 nan 8.300 nan 0.000 0.633 391 G N -0.796 108.014 108.800 0.016 0.000 2.671 391 G HA2 0.563 4.522 3.960 -0.001 0.000 0.275 391 G HA3 0.563 4.522 3.960 -0.001 0.000 0.275 391 G C -1.127 173.464 174.900 -0.516 0.000 1.368 391 G CA 0.057 44.978 45.100 -0.298 0.000 1.044 391 G HN 0.141 nan 8.290 nan 0.000 0.543 392 D N -2.634 117.402 120.400 -0.606 0.000 2.592 392 D HA 0.640 5.279 4.640 -0.001 0.000 0.263 392 D C -1.265 174.825 176.300 -0.349 0.000 1.132 392 D CA -0.306 53.484 54.000 -0.351 0.000 0.996 392 D CB 2.377 43.137 40.800 -0.066 0.000 1.442 392 D HN 0.463 nan 8.370 nan 0.000 0.486 393 V N 0.990 120.893 119.914 -0.019 0.000 3.000 393 V HA 0.581 4.700 4.120 -0.001 0.000 0.300 393 V C -2.066 174.146 176.094 0.195 0.000 1.251 393 V CA -0.475 61.918 62.300 0.155 0.000 0.972 393 V CB 2.159 34.118 31.823 0.227 0.000 1.065 393 V HN 0.623 nan 8.190 nan 0.000 0.431 394 D N 2.638 123.181 120.400 0.239 0.000 2.596 394 D HA 0.486 5.125 4.640 -0.001 0.000 0.234 394 D C -1.493 174.919 176.300 0.186 0.000 1.181 394 D CA -0.162 53.935 54.000 0.161 0.000 0.856 394 D CB 2.833 43.684 40.800 0.086 0.000 1.498 394 D HN 0.492 nan 8.370 nan 0.000 0.446 395 V N 0.911 120.907 119.914 0.137 0.000 2.509 395 V HA 0.736 4.855 4.120 -0.001 0.000 0.284 395 V C -0.541 175.643 176.094 0.151 0.000 1.047 395 V CA -0.155 62.227 62.300 0.135 0.000 0.952 395 V CB 1.159 33.035 31.823 0.089 0.000 0.988 395 V HN 0.670 nan 8.190 nan 0.000 0.469 396 A N 4.987 127.933 122.820 0.209 0.000 2.375 396 A HA 0.765 5.084 4.320 -0.001 0.000 0.291 396 A C 0.599 178.281 177.584 0.164 0.000 1.160 396 A CA 0.321 52.475 52.037 0.194 0.000 0.747 396 A CB 0.892 20.052 19.000 0.268 0.000 1.170 396 A HN 2.120 nan 8.150 nan 0.000 0.458 397 G N 2.582 111.440 108.800 0.098 0.000 2.601 397 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.306 397 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.306 397 G C 0.547 175.484 174.900 0.062 0.000 1.172 397 G CA 0.667 45.812 45.100 0.074 0.000 0.966 397 G HN 0.905 nan 8.290 nan 0.000 0.542 398 N N 2.158 120.889 118.700 0.052 0.000 2.171 398 N HA 0.199 4.938 4.740 -0.001 0.000 0.212 398 N C -0.614 174.888 175.510 -0.013 0.000 1.184 398 N CA 0.274 53.339 53.050 0.025 0.000 0.888 398 N CB 0.728 39.227 38.487 0.021 0.000 1.038 398 N HN 0.500 nan 8.380 nan 0.000 0.517 399 D N 0.631 121.029 120.400 -0.002 0.000 2.294 399 D HA 0.355 4.994 4.640 -0.001 0.000 0.250 399 D C 0.101 176.290 176.300 -0.185 0.000 1.058 399 D CA -0.254 53.666 54.000 -0.134 0.000 0.950 399 D CB 2.435 43.158 40.800 -0.128 0.000 1.158 399 D HN -0.301 nan 8.370 nan 0.000 0.453 400 V N 1.125 120.791 119.914 -0.414 0.000 2.680 400 V HA 0.502 4.621 4.120 -0.001 0.000 0.309 400 V C -0.937 174.854 176.094 -0.505 0.000 1.052 400 V CA -0.720 61.423 62.300 -0.262 0.000 0.908 400 V CB 1.514 33.253 31.823 -0.139 0.000 1.001 400 V HN 0.369 nan 8.190 nan 0.000 0.431 401 F N 3.405 123.445 119.950 0.150 0.000 2.579 401 F HA 0.493 5.019 4.527 -0.001 0.000 0.325 401 F C -0.754 175.219 175.800 0.289 0.000 1.162 401 F CA -0.504 57.625 58.000 0.215 0.000 0.946 401 F CB 1.564 40.718 39.000 0.258 0.000 1.211 401 F HN 0.442 nan 8.300 nan 0.000 0.447 402 Y N 5.264 125.707 120.300 0.239 0.000 2.341 402 Y HA 0.664 5.214 4.550 -0.001 0.000 0.337 402 Y C -0.718 175.179 175.900 -0.005 0.000 1.014 402 Y CA -0.863 57.313 58.100 0.127 0.000 1.111 402 Y CB 1.214 39.705 38.460 0.052 0.000 1.194 402 Y HN 0.549 nan 8.280 nan 0.000 0.462 403 M N 5.534 124.884 119.600 -0.416 0.000 2.530 403 M HA 0.534 5.014 4.480 -0.001 0.000 0.307 403 M C 0.258 176.397 176.300 -0.268 0.000 1.161 403 M CA 0.361 55.368 55.300 -0.488 0.000 0.903 403 M CB 1.497 33.270 32.600 -1.378 0.000 1.711 403 M HN 0.927 nan 8.290 nan 0.000 0.451 404 G N 2.729 111.434 108.800 -0.159 0.000 2.598 404 G HA2 0.134 4.093 3.960 -0.001 0.000 0.269 404 G HA3 0.134 4.093 3.960 -0.001 0.000 0.269 404 G C 0.193 175.198 174.900 0.175 0.000 1.289 404 G CA 0.086 45.171 45.100 -0.026 0.000 0.926 404 G HN 2.082 nan 8.290 nan 0.000 0.567 405 G N -2.767 106.168 108.800 0.225 0.000 2.592 405 G HA2 0.500 4.459 3.960 -0.001 0.000 0.684 405 G HA3 0.500 4.459 3.960 -0.001 0.000 0.684 405 G C -0.007 174.976 174.900 0.137 0.000 1.291 405 G CA 0.772 45.994 45.100 0.203 0.000 0.891 405 G HN 2.845 nan 8.290 nan 0.000 0.544 406 S N -1.242 114.536 115.700 0.130 0.000 2.600 406 S HA 0.819 5.288 4.470 -0.001 0.000 0.300 406 S C 0.031 174.665 174.600 0.058 0.000 1.087 406 S CA 0.134 58.381 58.200 0.078 0.000 0.965 406 S CB 1.900 65.125 63.200 0.043 0.000 1.089 406 S HN 2.122 nan 8.310 nan 0.000 0.496 407 N N -0.342 118.374 118.700 0.026 0.000 2.657 407 N HA 0.187 4.927 4.740 -0.001 0.000 0.234 407 N C -2.216 173.290 175.510 -0.008 0.000 1.433 407 N CA -0.920 52.136 53.050 0.009 0.000 1.078 407 N CB 0.537 39.039 38.487 0.025 0.000 1.508 407 N HN 0.517 nan 8.380 nan 0.000 0.547 408 P HA 0.080 nan 4.420 nan 0.000 0.255 408 P C -0.565 176.557 177.300 -0.295 0.000 1.248 408 P CA 0.262 63.228 63.100 -0.223 0.000 0.807 408 P CB 0.088 31.573 31.700 -0.358 0.000 1.150 409 Y N 0.683 120.979 120.300 -0.006 0.000 2.354 409 Y HA 0.347 4.896 4.550 -0.001 0.000 0.322 409 Y C 1.415 177.306 175.900 -0.015 0.000 1.253 409 Y CA -0.905 57.185 58.100 -0.017 0.000 1.272 409 Y CB 0.961 39.407 38.460 -0.024 0.000 1.255 409 Y HN -0.354 nan 8.280 nan 0.000 0.500 410 R N 1.635 122.224 120.500 0.149 0.000 2.389 410 R HA 0.362 4.702 4.340 -0.001 0.000 0.295 410 R C -0.719 175.602 176.300 0.035 0.000 1.075 410 R CA -0.424 55.713 56.100 0.061 0.000 1.005 410 R CB 0.426 30.735 30.300 0.014 0.000 0.987 410 R HN 0.526 nan 8.270 nan 0.000 0.452 411 V N 0.223 120.148 119.914 0.018 0.000 3.019 411 V HA 0.403 4.523 4.120 -0.001 0.000 0.317 411 V C 0.204 176.244 176.094 -0.089 0.000 1.094 411 V CA -0.884 61.403 62.300 -0.022 0.000 1.000 411 V CB 2.111 33.939 31.823 0.008 0.000 1.060 411 V HN 0.891 nan 8.190 nan 0.000 0.443 412 N N -0.514 118.103 118.700 -0.139 0.000 2.184 412 N HA 0.089 4.829 4.740 -0.001 0.000 0.206 412 N C 0.218 175.612 175.510 -0.193 0.000 1.151 412 N CA 0.062 52.962 53.050 -0.249 0.000 0.878 412 N CB -0.218 38.061 38.487 -0.346 0.000 1.014 412 N HN 0.920 nan 8.380 nan 0.000 0.512 413 E N 0.603 120.748 120.200 -0.092 0.000 2.408 413 E HA 0.273 4.622 4.350 -0.001 0.000 0.259 413 E C -0.321 176.261 176.600 -0.029 0.000 1.110 413 E CA -0.329 56.049 56.400 -0.036 0.000 0.929 413 E CB 1.068 30.765 29.700 -0.004 0.000 0.971 413 E HN 0.194 nan 8.360 nan 0.000 0.438 414 I N 1.579 122.143 120.570 -0.010 0.000 2.441 414 I HA 0.281 4.451 4.170 -0.001 0.000 0.295 414 I C -0.470 175.697 176.117 0.084 0.000 0.994 414 I CA -0.890 60.408 61.300 -0.003 0.000 1.144 414 I CB 0.921 38.838 38.000 -0.138 0.000 1.314 414 I HN 0.331 nan 8.210 nan 0.000 0.445 415 L N 5.437 126.749 121.223 0.148 0.000 2.341 415 L HA 0.433 4.773 4.340 -0.001 0.000 0.278 415 L C -0.298 176.634 176.870 0.104 0.000 1.005 415 L CA -0.551 54.357 54.840 0.114 0.000 0.818 415 L CB 1.939 44.046 42.059 0.081 0.000 1.259 415 L HN 0.602 nan 8.230 nan 0.000 0.418 416 Q N 3.917 123.723 119.800 0.011 0.000 2.296 416 Q HA 0.481 4.820 4.340 -0.001 0.000 0.257 416 Q C -1.457 174.437 176.000 -0.176 0.000 0.942 416 Q CA -0.437 55.247 55.803 -0.197 0.000 0.939 416 Q CB 1.117 29.736 28.738 -0.199 0.000 1.198 416 Q HN 0.569 nan 8.270 nan 0.000 0.429 417 L N 3.666 124.754 121.223 -0.225 0.000 2.265 417 L HA 0.375 4.714 4.340 -0.001 0.000 0.289 417 L C -0.505 176.224 176.870 -0.236 0.000 1.033 417 L CA -0.663 54.068 54.840 -0.182 0.000 0.814 417 L CB 1.628 43.605 42.059 -0.136 0.000 1.203 417 L HN 0.663 nan 8.230 nan 0.000 0.423 418 S N 5.000 120.561 115.700 -0.231 0.000 2.473 418 S HA 0.417 4.886 4.470 -0.001 0.000 0.312 418 S C 0.190 174.504 174.600 -0.478 0.000 1.087 418 S CA -0.462 57.544 58.200 -0.324 0.000 1.077 418 S CB 0.038 63.094 63.200 -0.240 0.000 1.065 418 S HN 0.367 nan 8.310 nan 0.000 0.510 419 I N 4.907 125.183 120.570 -0.491 0.000 2.471 419 I HA 0.198 4.368 4.170 -0.001 0.000 0.286 419 I C 0.275 176.003 176.117 -0.648 0.000 1.079 419 I CA 0.092 61.097 61.300 -0.491 0.000 1.398 419 I CB 0.302 38.050 38.000 -0.419 0.000 1.403 419 I HN 0.509 nan 8.210 nan 0.000 0.530 420 H N 5.417 124.314 119.070 -0.289 0.000 2.768 420 H HA 0.189 4.744 4.556 -0.001 0.000 0.371 420 H C 0.145 175.284 175.328 -0.315 0.000 1.151 420 H CA -0.682 55.064 56.048 -0.503 0.000 1.165 420 H CB 1.488 30.902 29.762 -0.580 0.000 1.722 420 H HN 0.457 nan 8.280 nan 0.000 0.543 421 Y N 0.545 120.976 120.300 0.220 0.000 2.173 421 Y HA -0.285 4.265 4.550 -0.001 0.000 0.282 421 Y C 1.775 177.760 175.900 0.142 0.000 1.192 421 Y CA 1.701 59.901 58.100 0.166 0.000 1.176 421 Y CB -0.521 38.005 38.460 0.109 0.000 0.969 421 Y HN 0.578 nan 8.280 nan 0.000 0.519 422 D N 0.156 120.643 120.400 0.146 0.000 2.394 422 D HA 0.098 4.737 4.640 -0.001 0.000 0.226 422 D C 0.483 176.826 176.300 0.071 0.000 0.990 422 D CA 0.518 54.584 54.000 0.111 0.000 0.902 422 D CB 0.115 40.972 40.800 0.094 0.000 1.038 422 D HN 0.555 nan 8.370 nan 0.000 0.499 423 K N -0.537 119.886 120.400 0.038 0.000 2.548 423 K HA 0.613 4.933 4.320 -0.001 0.000 0.282 423 K C -1.583 175.012 176.600 -0.009 0.000 1.006 423 K CA -0.920 55.381 56.287 0.023 0.000 0.892 423 K CB 1.787 34.297 32.500 0.016 0.000 1.499 423 K HN -0.121 nan 8.250 nan 0.000 0.433 424 I N 1.764 122.312 120.570 -0.036 0.000 2.436 424 I HA 0.245 4.415 4.170 -0.001 0.000 0.289 424 I C -0.940 175.135 176.117 -0.070 0.000 1.010 424 I CA -0.973 60.269 61.300 -0.096 0.000 1.098 424 I CB 1.913 39.831 38.000 -0.136 0.000 1.266 424 I HN 0.585 nan 8.210 nan 0.000 0.434 425 D N 7.551 127.906 120.400 -0.076 0.000 2.264 425 D HA 0.511 5.150 4.640 -0.001 0.000 0.249 425 D C -0.430 175.826 176.300 -0.074 0.000 1.070 425 D CA 0.018 53.990 54.000 -0.048 0.000 0.912 425 D CB 1.838 42.631 40.800 -0.012 0.000 1.193 425 D HN 0.310 nan 8.370 nan 0.000 0.427 426 M N 1.429 120.998 119.600 -0.051 0.000 2.263 426 M HA 0.327 4.806 4.480 -0.001 0.000 0.295 426 M C -0.664 175.619 176.300 -0.028 0.000 1.028 426 M CA -0.678 54.591 55.300 -0.051 0.000 0.921 426 M CB 2.490 35.058 32.600 -0.053 0.000 1.601 426 M HN -0.081 nan 8.290 nan 0.000 0.440 427 K N 2.217 122.605 120.400 -0.021 0.000 2.426 427 K HA 0.443 4.762 4.320 -0.001 0.000 0.254 427 K C -1.041 175.573 176.600 0.022 0.000 0.936 427 K CA -0.809 55.480 56.287 0.002 0.000 0.801 427 K CB 1.920 34.424 32.500 0.007 0.000 1.139 427 K HN 0.595 nan 8.250 nan 0.000 0.424 428 N N 3.805 122.522 118.700 0.028 0.000 2.416 428 N HA 0.099 4.838 4.740 -0.001 0.000 0.265 428 N C -0.002 175.546 175.510 0.063 0.000 1.195 428 N CA 0.102 53.177 53.050 0.042 0.000 0.943 428 N CB 0.566 39.072 38.487 0.032 0.000 1.115 428 N HN 0.392 nan 8.380 nan 0.000 0.481 429 I N 1.918 122.542 120.570 0.091 0.000 2.892 429 I HA -0.076 4.093 4.170 -0.001 0.000 0.287 429 I C 0.894 177.073 176.117 0.104 0.000 1.205 429 I CA 0.494 61.867 61.300 0.123 0.000 1.409 429 I CB 0.436 38.542 38.000 0.178 0.000 1.367 429 I HN 0.273 nan 8.210 nan 0.000 0.597 430 E N 4.720 124.990 120.200 0.117 0.000 2.151 430 E HA 0.331 4.680 4.350 -0.001 0.000 0.275 430 E C -0.765 175.923 176.600 0.146 0.000 0.936 430 E CA -0.748 55.716 56.400 0.107 0.000 0.777 430 E CB 2.159 31.909 29.700 0.082 0.000 1.108 430 E HN 0.435 nan 8.360 nan 0.000 0.401 431 V N 0.568 120.579 119.914 0.161 0.000 2.775 431 V HA 0.144 4.263 4.120 -0.001 0.000 0.299 431 V C 0.529 176.718 176.094 0.159 0.000 1.062 431 V CA -0.069 62.364 62.300 0.221 0.000 1.063 431 V CB 1.456 33.451 31.823 0.287 0.000 0.994 431 V HN 0.639 nan 8.190 nan 0.000 0.483 432 S N 1.480 117.268 115.700 0.148 0.000 2.526 432 S HA 0.175 4.644 4.470 -0.001 0.000 0.220 432 S C 0.857 175.518 174.600 0.101 0.000 1.017 432 S CA 0.291 58.547 58.200 0.094 0.000 0.930 432 S CB 0.103 63.333 63.200 0.049 0.000 0.856 432 S HN 1.111 nan 8.310 nan 0.000 0.497 433 S N 1.400 117.191 115.700 0.151 0.000 2.672 433 S HA 0.395 4.864 4.470 -0.001 0.000 0.276 433 S C 1.160 175.851 174.600 0.150 0.000 1.207 433 S CA -0.147 58.149 58.200 0.159 0.000 1.002 433 S CB 1.470 64.807 63.200 0.228 0.000 0.998 433 S HN 0.230 nan 8.310 nan 0.000 0.542 434 S N -0.219 115.557 115.700 0.128 0.000 2.470 434 S HA 0.098 4.567 4.470 -0.001 0.000 0.225 434 S C 0.268 174.938 174.600 0.116 0.000 1.006 434 S CA -0.054 58.207 58.200 0.102 0.000 0.934 434 S CB -0.516 62.731 63.200 0.078 0.000 0.778 434 S HN 0.799 nan 8.310 nan 0.000 0.517 435 E N 1.375 121.681 120.200 0.176 0.000 2.204 435 E HA 0.571 4.920 4.350 -0.001 0.000 0.276 435 E C -0.913 175.802 176.600 0.191 0.000 0.974 435 E CA -0.810 55.721 56.400 0.218 0.000 0.815 435 E CB 2.171 32.069 29.700 0.331 0.000 1.119 435 E HN 0.324 nan 8.360 nan 0.000 0.393 436 V N -0.364 119.504 119.914 -0.076 0.000 3.049 436 V HA 0.521 4.640 4.120 -0.001 0.000 0.309 436 V C -2.782 172.622 176.094 -1.151 0.000 1.148 436 V CA -2.888 59.065 62.300 -0.579 0.000 0.990 436 V CB 1.394 32.992 31.823 -0.376 0.000 1.039 436 V HN 0.465 nan 8.190 nan 0.000 0.430 437 P HA 0.197 nan 4.420 nan 0.000 0.268 437 P C -0.009 176.768 177.300 -0.872 0.000 1.204 437 P CA 0.173 62.188 63.100 -1.809 0.000 0.768 437 P CB 0.827 31.266 31.700 -2.101 0.000 0.842 438 V N 3.193 122.808 119.914 -0.499 0.000 3.032 438 V HA 0.186 4.306 4.120 -0.001 0.000 0.307 438 V C 0.519 176.421 176.094 -0.320 0.000 1.097 438 V CA -0.078 62.038 62.300 -0.306 0.000 1.191 438 V CB 0.360 32.085 31.823 -0.164 0.000 0.964 438 V HN 0.768 nan 8.190 nan 0.000 0.494 439 A N 7.306 129.986 122.820 -0.232 0.000 2.488 439 A HA 0.580 4.900 4.320 -0.001 0.000 0.249 439 A C 0.259 177.753 177.584 -0.150 0.000 1.083 439 A CA 0.089 52.010 52.037 -0.195 0.000 0.768 439 A CB -0.047 18.879 19.000 -0.124 0.000 1.017 439 A HN 1.018 nan 8.150 nan 0.000 0.496 440 R N 1.661 122.080 120.500 -0.135 0.000 2.710 440 R HA 0.780 5.120 4.340 -0.001 0.000 0.270 440 R C -0.983 175.389 176.300 0.119 0.000 1.021 440 R CA -0.795 55.274 56.100 -0.051 0.000 0.889 440 R CB 1.251 31.497 30.300 -0.090 0.000 1.243 440 R HN 0.865 nan 8.270 nan 0.000 0.464 441 M N -0.677 118.995 119.600 0.120 0.000 2.658 441 M HA 0.556 5.035 4.480 -0.001 0.000 0.295 441 M C -0.632 175.656 176.300 -0.021 0.000 1.248 441 M CA -0.712 54.638 55.300 0.082 0.000 0.843 441 M CB 2.110 34.712 32.600 0.003 0.000 1.749 441 M HN 0.801 nan 8.290 nan 0.000 0.464 442 C N 0.990 120.186 119.300 -0.175 0.000 4.456 442 C HA -0.131 4.328 4.460 -0.001 0.000 0.288 442 C C 0.658 175.584 174.990 -0.107 0.000 1.374 442 C CA 1.080 60.028 59.018 -0.116 0.000 1.956 442 C CB -3.660 24.067 27.740 -0.021 0.000 1.255 442 C HN 1.066 nan 8.230 nan 0.000 0.788 443 H N 0.154 119.213 119.070 -0.018 0.000 2.748 443 H HA 0.739 5.295 4.556 -0.001 0.000 0.288 443 H C 0.312 175.586 175.328 -0.090 0.000 1.539 443 H CA 0.510 56.566 56.048 0.014 0.000 1.577 443 H CB 0.624 30.421 29.762 0.059 0.000 1.721 443 H HN 0.464 nan 8.280 nan 0.000 0.869 444 T N -1.835 112.890 114.554 0.285 0.000 2.893 444 T HA 0.467 4.817 4.350 -0.001 0.000 0.293 444 T C -1.229 173.743 174.700 0.454 0.000 1.027 444 T CA -0.782 61.463 62.100 0.243 0.000 0.988 444 T CB 1.455 70.451 68.868 0.212 0.000 1.043 444 T HN 0.389 nan 8.240 nan 0.000 0.461 445 F N 2.191 122.232 119.950 0.153 0.000 2.445 445 F HA 0.637 5.163 4.527 -0.001 0.000 0.348 445 F C -0.352 175.513 175.800 0.107 0.000 1.125 445 F CA -0.564 57.522 58.000 0.142 0.000 0.983 445 F CB 1.611 40.675 39.000 0.107 0.000 1.198 445 F HN 0.807 nan 8.300 nan 0.000 0.436 446 T N 2.980 117.496 114.554 -0.065 0.000 2.876 446 T HA 0.317 4.666 4.350 -0.001 0.000 0.289 446 T C -0.300 174.314 174.700 -0.143 0.000 1.014 446 T CA -0.643 61.429 62.100 -0.048 0.000 0.986 446 T CB 1.727 70.620 68.868 0.040 0.000 1.021 446 T HN 0.370 nan 8.240 nan 0.000 0.458 447 T N 3.440 117.945 114.554 -0.083 0.000 2.832 447 T HA 0.610 4.960 4.350 -0.001 0.000 0.296 447 T C 0.247 174.921 174.700 -0.043 0.000 0.968 447 T CA -0.257 61.795 62.100 -0.080 0.000 1.107 447 T CB -0.328 68.525 68.868 -0.025 0.000 0.916 447 T HN 0.549 nan 8.240 nan 0.000 0.517 448 I N -0.535 120.004 120.570 -0.051 0.000 3.467 448 I HA 0.654 4.823 4.170 -0.001 0.000 0.314 448 I C -0.241 175.857 176.117 -0.031 0.000 1.177 448 I CA -1.339 59.948 61.300 -0.022 0.000 0.943 448 I CB 1.612 39.617 38.000 0.008 0.000 1.338 448 I HN 0.527 nan 8.210 nan 0.000 0.482 449 S N 0.978 116.664 115.700 -0.022 0.000 3.697 449 S HA -0.163 4.306 4.470 -0.001 0.000 0.388 449 S C 0.422 175.005 174.600 -0.028 0.000 0.941 449 S CA 0.942 59.124 58.200 -0.029 0.000 1.247 449 S CB -1.424 61.751 63.200 -0.042 0.000 0.904 449 S HN 0.821 nan 8.310 nan 0.000 0.518 450 R N 0.906 121.395 120.500 -0.018 0.000 3.266 450 R HA -0.278 4.061 4.340 -0.001 0.000 0.245 450 R C 0.276 176.571 176.300 -0.009 0.000 0.941 450 R CA 0.828 56.923 56.100 -0.010 0.000 0.638 450 R CB -2.058 28.236 30.300 -0.009 0.000 1.019 450 R HN 0.838 nan 8.270 nan 0.000 0.462 451 N N -1.492 117.202 118.700 -0.011 0.000 2.776 451 N HA -0.226 4.513 4.740 -0.001 0.000 0.249 451 N C -0.096 175.402 175.510 -0.021 0.000 1.111 451 N CA 0.883 53.931 53.050 -0.004 0.000 0.711 451 N CB -0.731 37.770 38.487 0.022 0.000 1.065 451 N HN 0.612 nan 8.380 nan 0.000 0.556 452 N N 0.025 118.694 118.700 -0.052 0.000 2.273 452 N HA 0.060 4.799 4.740 -0.001 0.000 0.192 452 N C -0.132 175.293 175.510 -0.142 0.000 1.132 452 N CA 0.466 53.468 53.050 -0.081 0.000 0.887 452 N CB 0.708 39.152 38.487 -0.072 0.000 1.048 452 N HN 0.390 nan 8.380 nan 0.000 0.490 453 Q N 0.334 120.051 119.800 -0.138 0.000 2.501 453 Q HA 0.567 4.906 4.340 -0.001 0.000 0.288 453 Q C -1.362 174.525 176.000 -0.189 0.000 1.051 453 Q CA -0.603 55.093 55.803 -0.179 0.000 0.788 453 Q CB 2.797 31.455 28.738 -0.133 0.000 1.469 453 Q HN -0.017 nan 8.270 nan 0.000 0.416 454 L N 1.584 122.672 121.223 -0.225 0.000 2.385 454 L HA 0.513 4.853 4.340 -0.001 0.000 0.273 454 L C -1.326 175.402 176.870 -0.237 0.000 0.990 454 L CA -0.855 53.742 54.840 -0.405 0.000 0.821 454 L CB 1.839 43.403 42.059 -0.825 0.000 1.279 454 L HN 0.385 nan 8.230 nan 0.000 0.412 455 L N 4.299 125.405 121.223 -0.195 0.000 2.262 455 L HA 0.501 4.841 4.340 -0.001 0.000 0.288 455 L C -0.928 176.068 176.870 0.210 0.000 1.035 455 L CA -0.317 54.548 54.840 0.042 0.000 0.820 455 L CB 1.284 43.348 42.059 0.009 0.000 1.204 455 L HN 0.493 nan 8.230 nan 0.000 0.424 456 L N 6.865 128.350 121.223 0.436 0.000 2.261 456 L HA 0.533 4.873 4.340 -0.001 0.000 0.289 456 L C -0.894 176.178 176.870 0.337 0.000 1.059 456 L CA 0.166 55.306 54.840 0.499 0.000 0.816 456 L CB 0.465 42.820 42.059 0.493 0.000 1.191 456 L HN 0.445 nan 8.230 nan 0.000 0.431 457 I N 5.631 126.396 120.570 0.324 0.000 2.433 457 I HA 0.575 4.744 4.170 -0.001 0.000 0.292 457 I C 1.035 177.346 176.117 0.324 0.000 1.001 457 I CA 0.002 61.457 61.300 0.258 0.000 1.119 457 I CB 0.676 38.801 38.000 0.210 0.000 1.289 457 I HN 0.807 nan 8.210 nan 0.000 0.438 458 G N 4.873 113.787 108.800 0.191 0.000 2.574 458 G HA2 0.131 4.090 3.960 -0.001 0.000 0.282 458 G HA3 0.131 4.090 3.960 -0.001 0.000 0.282 458 G C 0.268 175.362 174.900 0.323 0.000 1.257 458 G CA 0.361 45.598 45.100 0.228 0.000 0.956 458 G HN 1.812 nan 8.290 nan 0.000 0.560 459 G N -1.791 107.256 108.800 0.413 0.000 2.498 459 G HA2 0.558 4.518 3.960 -0.001 0.000 0.651 459 G HA3 0.558 4.518 3.960 -0.001 0.000 0.651 459 G C -0.390 174.614 174.900 0.173 0.000 1.284 459 G CA 0.755 46.044 45.100 0.316 0.000 0.950 459 G HN 2.548 nan 8.290 nan 0.000 0.511 460 R N -0.950 119.540 120.500 -0.018 0.000 2.764 460 R HA 0.787 5.127 4.340 -0.001 0.000 0.270 460 R C 0.280 176.472 176.300 -0.180 0.000 1.014 460 R CA -0.920 55.060 56.100 -0.201 0.000 0.904 460 R CB 1.446 31.327 30.300 -0.698 0.000 1.236 460 R HN 0.583 nan 8.270 nan 0.000 0.466 461 K N 0.826 121.117 120.400 -0.181 0.000 3.215 461 K HA 0.408 4.728 4.320 -0.001 0.000 0.171 461 K C 0.563 177.060 176.600 -0.171 0.000 1.127 461 K CA 0.108 56.306 56.287 -0.148 0.000 1.421 461 K CB -0.136 32.290 32.500 -0.124 0.000 1.962 461 K HN 0.600 nan 8.250 nan 0.000 0.478 462 A N 1.710 124.456 122.820 -0.124 0.000 2.346 462 A HA 0.164 4.483 4.320 -0.001 0.000 0.252 462 A C -2.005 175.533 177.584 -0.077 0.000 1.089 462 A CA -0.983 51.031 52.037 -0.038 0.000 0.797 462 A CB -0.311 18.799 19.000 0.183 0.000 1.047 462 A HN 0.213 nan 8.150 nan 0.000 0.494 463 P HA -0.158 nan 4.420 nan 0.000 0.221 463 P C 0.719 178.084 177.300 0.108 0.000 1.145 463 P CA 1.729 64.775 63.100 -0.090 0.000 0.795 463 P CB -0.082 31.606 31.700 -0.021 0.000 0.775 464 H N -1.926 117.120 119.070 -0.040 0.000 2.539 464 H HA 0.221 4.776 4.556 -0.001 0.000 0.269 464 H C 0.364 175.700 175.328 0.012 0.000 0.980 464 H CA 0.209 56.266 56.048 0.015 0.000 1.152 464 H CB -0.635 29.128 29.762 0.003 0.000 1.407 464 H HN 0.182 nan 8.280 nan 0.000 0.564 465 Q N 1.542 121.169 119.800 -0.289 0.000 2.715 465 Q HA 0.332 4.671 4.340 -0.001 0.000 0.399 465 Q C 0.287 176.213 176.000 -0.124 0.000 1.017 465 Q CA -0.471 55.165 55.803 -0.279 0.000 1.077 465 Q CB 1.116 29.629 28.738 -0.374 0.000 1.350 465 Q HN 0.487 nan 8.270 nan 0.000 0.421 466 G N 0.727 109.541 108.800 0.024 0.000 2.484 466 G HA2 0.232 4.191 3.960 -0.001 0.000 0.235 466 G HA3 0.232 4.191 3.960 -0.001 0.000 0.235 466 G C -0.358 174.601 174.900 0.098 0.000 1.282 466 G CA -0.208 45.001 45.100 0.182 0.000 0.857 466 G HN 0.322 nan 8.290 nan 0.000 0.571 467 L N 0.536 121.835 121.223 0.126 0.000 2.322 467 L HA 0.469 4.809 4.340 -0.001 0.000 0.269 467 L C 1.042 177.959 176.870 0.078 0.000 1.012 467 L CA -0.669 54.217 54.840 0.077 0.000 0.815 467 L CB 2.382 44.481 42.059 0.067 0.000 1.295 467 L HN 0.693 nan 8.230 nan 0.000 0.438 468 S N -2.426 113.302 115.700 0.046 0.000 2.687 468 S HA 0.079 4.548 4.470 -0.001 0.000 0.247 468 S C -0.094 174.514 174.600 0.014 0.000 1.050 468 S CA -0.608 57.597 58.200 0.008 0.000 1.063 468 S CB -0.037 63.152 63.200 -0.019 0.000 1.039 468 S HN 0.691 nan 8.310 nan 0.000 0.580 469 D N 2.764 123.205 120.400 0.067 0.000 2.325 469 D HA 0.241 4.880 4.640 -0.001 0.000 0.251 469 D C -0.637 175.772 176.300 0.182 0.000 1.196 469 D CA -0.345 53.708 54.000 0.088 0.000 0.866 469 D CB 0.393 41.299 40.800 0.178 0.000 1.101 469 D HN 0.108 nan 8.370 nan 0.000 0.476 470 N N 2.190 120.941 118.700 0.084 0.000 2.476 470 N HA 0.435 5.174 4.740 -0.001 0.000 0.275 470 N C -0.521 175.053 175.510 0.106 0.000 1.190 470 N CA -0.230 52.928 53.050 0.181 0.000 0.977 470 N CB 1.083 39.646 38.487 0.126 0.000 1.200 470 N HN 0.492 nan 8.380 nan 0.000 0.515 471 W N -0.201 121.171 121.300 0.121 0.000 3.047 471 W HA 0.604 5.263 4.660 -0.001 0.000 0.341 471 W C -0.566 176.147 176.519 0.323 0.000 1.225 471 W CA -0.463 57.021 57.345 0.232 0.000 1.150 471 W CB 1.120 30.724 29.460 0.241 0.000 1.470 471 W HN 0.103 nan 8.180 nan 0.000 0.578 472 I N 1.953 122.892 120.570 0.614 0.000 2.498 472 I HA 0.319 4.489 4.170 -0.001 0.000 0.290 472 I C -1.405 174.911 176.117 0.333 0.000 1.032 472 I CA -1.000 60.529 61.300 0.383 0.000 1.073 472 I CB 1.785 39.882 38.000 0.161 0.000 1.251 472 I HN 0.186 nan 8.210 nan 0.000 0.426 473 F N 6.245 126.092 119.950 -0.171 0.000 2.427 473 F HA 0.378 4.905 4.527 -0.001 0.000 0.346 473 F C -0.185 175.370 175.800 -0.409 0.000 1.120 473 F CA -0.457 57.158 58.000 -0.641 0.000 1.033 473 F CB 1.005 39.266 39.000 -1.233 0.000 1.126 473 F HN 0.349 nan 8.300 nan 0.000 0.462 474 D N 6.254 126.049 120.400 -1.008 0.000 2.280 474 D HA 0.139 4.779 4.640 -0.001 0.000 0.236 474 D C 0.775 176.467 176.300 -1.012 0.000 1.082 474 D CA -0.185 53.365 54.000 -0.749 0.000 0.834 474 D CB 1.580 42.113 40.800 -0.444 0.000 1.100 474 D HN 0.719 nan 8.370 nan 0.000 0.486 475 M N 3.316 122.528 119.600 -0.647 0.000 2.086 475 M HA -0.148 4.331 4.480 -0.001 0.000 0.261 475 M C 2.040 178.171 176.300 -0.282 0.000 1.067 475 M CA 1.584 56.622 55.300 -0.437 0.000 1.116 475 M CB 0.009 32.474 32.600 -0.225 0.000 1.348 475 M HN 0.345 nan 8.290 nan 0.000 0.407 476 K N -0.728 119.540 120.400 -0.222 0.000 1.991 476 K HA -0.137 4.182 4.320 -0.001 0.000 0.212 476 K C 1.838 178.344 176.600 -0.156 0.000 1.049 476 K CA 2.033 58.236 56.287 -0.140 0.000 0.932 476 K CB -0.647 31.786 32.500 -0.112 0.000 0.717 476 K HN 0.398 nan 8.250 nan 0.000 0.441 477 T N 0.094 114.516 114.554 -0.220 0.000 3.055 477 T HA 0.041 4.390 4.350 -0.001 0.000 0.265 477 T C 0.276 174.846 174.700 -0.216 0.000 1.111 477 T CA 0.054 62.043 62.100 -0.184 0.000 1.118 477 T CB -0.075 68.687 68.868 -0.177 0.000 0.909 477 T HN 0.242 nan 8.240 nan 0.000 0.501 478 R N 1.293 121.558 120.500 -0.391 0.000 3.416 478 R HA -0.144 4.196 4.340 -0.001 0.000 0.263 478 R C -0.797 175.340 176.300 -0.272 0.000 1.053 478 R CA 0.566 56.436 56.100 -0.384 0.000 0.705 478 R CB -1.874 28.416 30.300 -0.016 0.000 1.124 478 R HN 0.604 nan 8.270 nan 0.000 0.444 479 E N -0.612 119.317 120.200 -0.452 0.000 2.227 479 E HA 0.304 4.653 4.350 -0.001 0.000 0.268 479 E C -0.629 175.901 176.600 -0.116 0.000 0.907 479 E CA -0.726 55.587 56.400 -0.145 0.000 0.786 479 E CB 1.038 30.695 29.700 -0.072 0.000 1.191 479 E HN 0.110 nan 8.360 nan 0.000 0.411 480 W N 1.210 122.656 121.300 0.243 0.000 2.390 480 W HA 0.296 4.956 4.660 -0.001 0.000 0.312 480 W C -0.380 176.392 176.519 0.421 0.000 1.123 480 W CA -0.351 57.229 57.345 0.392 0.000 1.202 480 W CB 1.584 31.234 29.460 0.316 0.000 1.251 480 W HN 0.290 nan 8.180 nan 0.000 0.511 481 S N 4.006 120.143 115.700 0.729 0.000 2.561 481 S HA 0.384 4.853 4.470 -0.001 0.000 0.303 481 S C -0.649 174.007 174.600 0.094 0.000 1.110 481 S CA -0.927 57.478 58.200 0.341 0.000 1.034 481 S CB 1.411 64.706 63.200 0.157 0.000 1.010 481 S HN 0.594 nan 8.310 nan 0.000 0.482 482 M N 6.305 125.576 119.600 -0.549 0.000 2.193 482 M HA 0.368 4.848 4.480 -0.001 0.000 0.342 482 M C -0.004 176.017 176.300 -0.465 0.000 1.413 482 M CA -0.437 54.187 55.300 -1.128 0.000 1.191 482 M CB -0.273 31.411 32.600 -1.527 0.000 1.633 482 M HN 0.795 nan 8.290 nan 0.000 0.458 483 I N 1.355 121.752 120.570 -0.288 0.000 3.128 483 I HA 0.327 4.497 4.170 -0.001 0.000 0.196 483 I C 0.384 176.440 176.117 -0.102 0.000 1.391 483 I CA -0.940 60.290 61.300 -0.117 0.000 0.639 483 I CB 0.000 37.989 38.000 -0.019 0.000 1.842 483 I HN 0.597 nan 8.210 nan 0.000 0.971 484 K N 0.818 121.224 120.400 0.011 0.000 2.230 484 K HA 0.163 4.483 4.320 -0.001 0.000 0.253 484 K C -0.418 176.247 176.600 0.109 0.000 1.008 484 K CA -0.017 56.316 56.287 0.077 0.000 0.910 484 K CB 0.633 33.238 32.500 0.175 0.000 0.994 484 K HN 0.845 nan 8.250 nan 0.000 0.495 485 S N 2.103 117.858 115.700 0.091 0.000 2.503 485 S HA 0.398 4.867 4.470 -0.001 0.000 0.301 485 S C -0.030 174.566 174.600 -0.007 0.000 1.087 485 S CA -1.079 57.141 58.200 0.033 0.000 1.042 485 S CB 0.904 64.088 63.200 -0.027 0.000 1.043 485 S HN 0.483 nan 8.310 nan 0.000 0.489 486 L N 2.876 124.012 121.223 -0.145 0.000 2.490 486 L HA 0.109 4.448 4.340 -0.001 0.000 0.274 486 L C 1.534 178.301 176.870 -0.172 0.000 1.201 486 L CA -0.393 54.269 54.840 -0.297 0.000 0.869 486 L CB 0.272 42.134 42.059 -0.328 0.000 1.123 486 L HN 0.874 nan 8.230 nan 0.000 0.484 487 S N 0.413 116.003 115.700 -0.182 0.000 2.368 487 S HA -0.111 4.358 4.470 -0.001 0.000 0.225 487 S C 0.300 174.659 174.600 -0.402 0.000 1.030 487 S CA 1.173 59.202 58.200 -0.285 0.000 0.999 487 S CB -0.200 62.780 63.200 -0.367 0.000 0.844 487 S HN 0.613 nan 8.310 nan 0.000 0.459 488 H N 0.509 119.517 119.070 -0.104 0.000 2.499 488 H HA 0.443 4.999 4.556 -0.001 0.000 0.340 488 H C 0.514 175.789 175.328 -0.087 0.000 1.148 488 H CA -0.588 55.412 56.048 -0.080 0.000 1.215 488 H CB 0.628 30.343 29.762 -0.078 0.000 1.529 488 H HN 0.097 nan 8.280 nan 0.000 0.510 489 T N 0.203 114.798 114.554 0.068 0.000 2.795 489 T HA 0.277 4.626 4.350 -0.001 0.000 0.314 489 T C 0.207 174.933 174.700 0.043 0.000 1.069 489 T CA -0.768 61.366 62.100 0.057 0.000 1.071 489 T CB 0.830 69.753 68.868 0.091 0.000 0.988 489 T HN 0.764 nan 8.240 nan 0.000 0.543 490 R N 1.317 121.862 120.500 0.074 0.000 2.647 490 R HA 0.486 4.825 4.340 -0.001 0.000 0.260 490 R C -1.812 174.653 176.300 0.275 0.000 1.154 490 R CA -0.890 55.223 56.100 0.022 0.000 1.029 490 R CB 0.993 31.197 30.300 -0.160 0.000 1.262 490 R HN 0.804 nan 8.270 nan 0.000 0.437 491 F N 0.271 120.363 119.950 0.236 0.000 2.715 491 F HA 0.605 5.131 4.527 -0.001 0.000 0.318 491 F C 0.295 176.192 175.800 0.162 0.000 1.141 491 F CA -1.237 56.920 58.000 0.262 0.000 0.950 491 F CB 1.110 40.167 39.000 0.095 0.000 1.374 491 F HN 0.644 nan 8.300 nan 0.000 0.477 492 R N 0.512 121.152 120.500 0.234 0.000 3.741 492 R HA -0.189 4.150 4.340 -0.001 0.000 0.292 492 R C -0.303 175.973 176.300 -0.040 0.000 1.176 492 R CA 1.173 57.298 56.100 0.041 0.000 0.794 492 R CB -2.128 28.234 30.300 0.103 0.000 1.213 492 R HN 0.922 nan 8.270 nan 0.000 0.494 493 H N -1.831 117.246 119.070 0.011 0.000 2.509 493 H HA 0.573 5.128 4.556 -0.001 0.000 0.359 493 H C -0.048 175.296 175.328 0.027 0.000 1.253 493 H CA -0.539 55.514 56.048 0.007 0.000 1.373 493 H CB 1.111 30.880 29.762 0.011 0.000 1.555 493 H HN -0.069 nan 8.280 nan 0.000 0.586 494 S N -0.711 115.071 115.700 0.137 0.000 2.664 494 S HA 0.762 5.232 4.470 -0.001 0.000 0.304 494 S C -0.537 174.165 174.600 0.171 0.000 1.099 494 S CA -0.325 57.929 58.200 0.089 0.000 1.003 494 S CB 1.696 64.947 63.200 0.084 0.000 1.092 494 S HN 0.986 nan 8.310 nan 0.000 0.525 495 A N 0.339 123.240 122.820 0.135 0.000 2.606 495 A HA 0.820 5.139 4.320 -0.001 0.000 0.293 495 A C -1.103 176.555 177.584 0.123 0.000 1.082 495 A CA -0.796 51.330 52.037 0.149 0.000 0.685 495 A CB 0.790 19.896 19.000 0.178 0.000 1.284 495 A HN 1.670 nan 8.150 nan 0.000 0.408 496 C N 0.326 119.691 119.300 0.109 0.000 3.094 496 C HA 0.706 5.166 4.460 -0.001 0.000 0.414 496 C C -0.008 175.007 174.990 0.041 0.000 0.993 496 C CA -0.263 58.816 59.018 0.101 0.000 1.217 496 C CB 0.518 28.357 27.740 0.165 0.000 1.603 496 C HN 1.931 nan 8.230 nan 0.000 0.564 497 S N 3.522 119.241 115.700 0.032 0.000 2.537 497 S HA 0.477 4.946 4.470 -0.001 0.000 0.286 497 S C -0.150 174.398 174.600 -0.087 0.000 1.299 497 S CA -0.174 58.015 58.200 -0.019 0.000 1.067 497 S CB 0.126 63.329 63.200 0.004 0.000 0.864 497 S HN 0.814 nan 8.310 nan 0.000 0.494 498 L N 3.670 124.764 121.223 -0.215 0.000 2.454 498 L HA 0.375 4.714 4.340 -0.001 0.000 0.256 498 L C -1.265 175.485 176.870 -0.200 0.000 1.136 498 L CA -2.293 52.295 54.840 -0.420 0.000 0.804 498 L CB 0.444 42.049 42.059 -0.757 0.000 1.181 498 L HN 0.417 nan 8.230 nan 0.000 0.469 499 P HA -0.187 nan 4.420 nan 0.000 0.216 499 P C 0.577 177.890 177.300 0.020 0.000 1.153 499 P CA 1.273 64.386 63.100 0.022 0.000 0.858 499 P CB -0.042 31.730 31.700 0.120 0.000 0.789 500 D N -2.080 118.337 120.400 0.028 0.000 2.371 500 D HA 0.046 4.685 4.640 -0.001 0.000 0.221 500 D C 1.379 177.679 176.300 -0.000 0.000 0.986 500 D CA 1.023 55.047 54.000 0.040 0.000 0.899 500 D CB -0.942 39.917 40.800 0.098 0.000 0.902 500 D HN 0.282 nan 8.370 nan 0.000 0.530 501 G N -0.796 107.988 108.800 -0.027 0.000 2.179 501 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.220 501 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.220 501 G C 0.082 174.960 174.900 -0.036 0.000 0.990 501 G CA -0.170 44.914 45.100 -0.027 0.000 0.646 501 G HN 0.356 nan 8.290 nan 0.000 0.517 502 N N -0.604 118.056 118.700 -0.066 0.000 2.447 502 N HA 0.649 5.389 4.740 -0.001 0.000 0.271 502 N C -0.159 175.312 175.510 -0.066 0.000 1.226 502 N CA -0.100 52.910 53.050 -0.066 0.000 0.980 502 N CB 1.616 40.050 38.487 -0.088 0.000 1.206 502 N HN 0.145 nan 8.380 nan 0.000 0.558 503 V N 1.551 121.468 119.914 0.005 0.000 2.409 503 V HA 0.287 4.407 4.120 -0.001 0.000 0.290 503 V C 0.275 176.391 176.094 0.036 0.000 1.017 503 V CA -0.669 61.653 62.300 0.036 0.000 0.841 503 V CB 1.588 33.487 31.823 0.127 0.000 1.003 503 V HN 0.434 nan 8.190 nan 0.000 0.426 504 L N 5.447 126.646 121.223 -0.040 0.000 2.439 504 L HA 0.490 4.830 4.340 -0.001 0.000 0.269 504 L C -0.678 176.229 176.870 0.061 0.000 1.179 504 L CA 0.048 54.871 54.840 -0.029 0.000 0.828 504 L CB 1.084 43.092 42.059 -0.086 0.000 1.106 504 L HN 0.545 nan 8.230 nan 0.000 0.467 505 I N 4.713 125.321 120.570 0.063 0.000 2.500 505 I HA 0.192 4.362 4.170 -0.001 0.000 0.286 505 I C -1.085 175.074 176.117 0.070 0.000 1.063 505 I CA -0.540 60.817 61.300 0.094 0.000 1.062 505 I CB 2.086 40.130 38.000 0.073 0.000 1.223 505 I HN 0.316 nan 8.210 nan 0.000 0.435 506 L N 6.871 128.167 121.223 0.121 0.000 2.282 506 L HA 0.769 5.108 4.340 -0.001 0.000 0.288 506 L C 0.989 177.939 176.870 0.133 0.000 1.033 506 L CA 0.721 55.638 54.840 0.128 0.000 0.807 506 L CB 1.061 43.221 42.059 0.169 0.000 1.209 506 L HN 0.833 nan 8.230 nan 0.000 0.423 507 G N 3.931 112.795 108.800 0.106 0.000 2.685 507 G HA2 0.071 4.030 3.960 -0.001 0.000 0.357 507 G HA3 0.071 4.030 3.960 -0.001 0.000 0.357 507 G C 0.729 175.663 174.900 0.057 0.000 1.272 507 G CA 0.456 45.605 45.100 0.081 0.000 0.972 507 G HN 2.198 nan 8.290 nan 0.000 0.550 508 G N -3.615 105.214 108.800 0.049 0.000 2.631 508 G HA2 0.248 4.207 3.960 -0.001 0.000 0.504 508 G HA3 0.248 4.207 3.960 -0.001 0.000 0.504 508 G C -0.371 174.454 174.900 -0.124 0.000 1.306 508 G CA 0.282 45.377 45.100 -0.008 0.000 0.897 508 G HN 1.829 nan 8.290 nan 0.000 0.520 509 V N 1.788 121.487 119.914 -0.357 0.000 2.338 509 V HA 0.622 4.741 4.120 -0.001 0.000 0.255 509 V C 0.844 176.709 176.094 -0.382 0.000 1.082 509 V CA 1.129 63.159 62.300 -0.451 0.000 0.951 509 V CB 0.214 31.510 31.823 -0.879 0.000 1.102 509 V HN 1.244 nan 8.190 nan 0.000 0.489 510 T N 2.783 117.227 114.554 -0.184 0.000 2.769 510 T HA 0.341 4.690 4.350 -0.001 0.000 0.306 510 T C 0.140 174.779 174.700 -0.102 0.000 1.400 510 T CA -0.458 61.566 62.100 -0.126 0.000 1.007 510 T CB 2.125 70.914 68.868 -0.131 0.000 1.392 510 T HN 0.497 nan 8.240 nan 0.000 0.500 511 E N 0.609 120.754 120.200 -0.090 0.000 2.476 511 E HA 0.236 4.585 4.350 -0.001 0.000 0.199 511 E C 1.060 177.420 176.600 -0.400 0.000 1.021 511 E CA 0.070 56.398 56.400 -0.119 0.000 0.907 511 E CB 0.384 30.095 29.700 0.018 0.000 0.974 511 E HN 0.715 nan 8.360 nan 0.000 0.489 512 G N 2.295 110.720 108.800 -0.624 0.000 2.563 512 G HA2 0.307 4.266 3.960 -0.001 0.000 0.283 512 G HA3 0.307 4.266 3.960 -0.001 0.000 0.283 512 G C -2.362 172.258 174.900 -0.466 0.000 1.309 512 G CA -0.949 43.481 45.100 -1.118 0.000 1.022 512 G HN -0.080 nan 8.290 nan 0.000 0.501 513 P HA 0.161 nan 4.420 nan 0.000 0.267 513 P C 0.619 177.856 177.300 -0.105 0.000 1.201 513 P CA 0.488 63.498 63.100 -0.151 0.000 0.775 513 P CB 0.774 32.421 31.700 -0.089 0.000 0.854 514 A N 2.465 125.254 122.820 -0.051 0.000 2.014 514 A HA -0.016 4.304 4.320 -0.001 0.000 0.218 514 A C 1.011 178.601 177.584 0.010 0.000 1.163 514 A CA 1.305 53.349 52.037 0.013 0.000 0.652 514 A CB -0.507 18.553 19.000 0.100 0.000 0.808 514 A HN 0.591 nan 8.150 nan 0.000 0.449 515 M N 0.130 119.697 119.600 -0.054 0.000 2.271 515 M HA 0.539 5.019 4.480 -0.001 0.000 0.285 515 M C -2.106 174.161 176.300 -0.056 0.000 1.059 515 M CA -0.380 54.875 55.300 -0.075 0.000 0.940 515 M CB 1.522 34.005 32.600 -0.194 0.000 1.636 515 M HN 0.133 nan 8.290 nan 0.000 0.460 516 L N 4.320 125.534 121.223 -0.014 0.000 2.322 516 L HA 0.693 5.032 4.340 -0.001 0.000 0.269 516 L C -1.240 175.682 176.870 0.086 0.000 1.012 516 L CA -1.121 53.749 54.840 0.050 0.000 0.815 516 L CB 2.095 44.196 42.059 0.069 0.000 1.295 516 L HN 0.564 nan 8.230 nan 0.000 0.438 517 L N 2.317 123.625 121.223 0.141 0.000 2.406 517 L HA 0.391 4.730 4.340 -0.001 0.000 0.272 517 L C -1.684 175.296 176.870 0.183 0.000 0.980 517 L CA -0.357 54.551 54.840 0.114 0.000 0.831 517 L CB 1.543 43.635 42.059 0.055 0.000 1.253 517 L HN 0.542 nan 8.230 nan 0.000 0.406 518 Y N 5.868 126.184 120.300 0.026 0.000 2.434 518 Y HA 0.342 4.891 4.550 -0.001 0.000 0.341 518 Y C 0.280 176.082 175.900 -0.164 0.000 0.965 518 Y CA -0.372 57.637 58.100 -0.152 0.000 1.205 518 Y CB 0.647 38.984 38.460 -0.205 0.000 1.121 518 Y HN 0.671 nan 8.280 nan 0.000 0.507 519 N N 5.692 123.988 118.700 -0.673 0.000 2.399 519 N HA 0.023 4.762 4.740 -0.001 0.000 0.259 519 N C 0.745 175.740 175.510 -0.859 0.000 1.160 519 N CA 0.340 53.057 53.050 -0.556 0.000 0.946 519 N CB 1.203 39.477 38.487 -0.355 0.000 1.156 519 N HN 0.699 nan 8.380 nan 0.000 0.489 520 V N 3.651 123.255 119.914 -0.516 0.000 2.237 520 V HA -0.226 3.893 4.120 -0.001 0.000 0.245 520 V C 2.204 178.150 176.094 -0.246 0.000 1.046 520 V CA 1.860 63.970 62.300 -0.317 0.000 1.007 520 V CB -0.773 31.016 31.823 -0.057 0.000 0.638 520 V HN 0.650 nan 8.190 nan 0.000 0.445 521 T N -0.632 113.813 114.554 -0.182 0.000 2.746 521 T HA -0.198 4.151 4.350 -0.001 0.000 0.267 521 T C 1.737 176.346 174.700 -0.151 0.000 1.039 521 T CA 1.624 63.646 62.100 -0.130 0.000 1.142 521 T CB -0.222 68.589 68.868 -0.095 0.000 0.866 521 T HN 0.561 nan 8.240 nan 0.000 0.444 522 E N 0.368 120.444 120.200 -0.206 0.000 2.442 522 E HA 0.012 4.361 4.350 -0.001 0.000 0.195 522 E C 0.063 176.521 176.600 -0.235 0.000 1.030 522 E CA 0.025 56.310 56.400 -0.190 0.000 0.869 522 E CB 0.168 29.763 29.700 -0.175 0.000 0.857 522 E HN 0.526 nan 8.360 nan 0.000 0.505 523 E N -0.106 119.875 120.200 -0.365 0.000 2.389 523 E HA -0.225 4.125 4.350 -0.001 0.000 0.243 523 E C -0.582 175.823 176.600 -0.324 0.000 1.154 523 E CA 0.591 56.792 56.400 -0.332 0.000 0.723 523 E CB -1.996 27.640 29.700 -0.107 0.000 1.261 523 E HN 0.273 nan 8.360 nan 0.000 0.390 524 I N -3.961 116.285 120.570 -0.539 0.000 2.894 524 I HA 0.629 4.798 4.170 -0.001 0.000 0.302 524 I C -0.211 175.676 176.117 -0.382 0.000 1.188 524 I CA -1.112 59.999 61.300 -0.315 0.000 1.014 524 I CB 1.111 39.033 38.000 -0.130 0.000 1.242 524 I HN -0.152 nan 8.210 nan 0.000 0.430 525 F N 1.926 121.938 119.950 0.103 0.000 2.378 525 F HA 0.674 5.200 4.527 -0.001 0.000 0.325 525 F C 0.485 176.311 175.800 0.043 0.000 1.097 525 F CA -0.305 57.770 58.000 0.125 0.000 1.079 525 F CB 1.272 40.359 39.000 0.147 0.000 1.240 525 F HN 0.486 nan 8.300 nan 0.000 0.519 526 K N 1.802 122.340 120.400 0.231 0.000 2.615 526 K HA 0.122 4.441 4.320 -0.001 0.000 0.249 526 K C -1.713 174.939 176.600 0.086 0.000 0.977 526 K CA -0.729 55.627 56.287 0.114 0.000 0.833 526 K CB 1.234 33.766 32.500 0.053 0.000 1.208 526 K HN 0.608 nan 8.250 nan 0.000 0.443 527 D N 3.745 124.182 120.400 0.062 0.000 2.368 527 D HA -0.009 4.630 4.640 -0.001 0.000 0.268 527 D C 0.420 176.716 176.300 -0.006 0.000 1.298 527 D CA 0.120 54.133 54.000 0.021 0.000 0.938 527 D CB 0.739 41.548 40.800 0.015 0.000 1.101 527 D HN 0.289 nan 8.370 nan 0.000 0.509 528 V N 1.436 121.329 119.914 -0.034 0.000 2.915 528 V HA 0.290 4.409 4.120 -0.001 0.000 0.364 528 V C 0.474 176.481 176.094 -0.144 0.000 1.354 528 V CA -0.672 61.589 62.300 -0.065 0.000 1.213 528 V CB -0.359 31.437 31.823 -0.045 0.000 1.268 528 V HN 0.359 nan 8.190 nan 0.000 0.557 529 T N 4.892 119.359 114.554 -0.145 0.000 2.750 529 T HA 0.139 4.489 4.350 -0.001 0.000 0.277 529 T C -2.020 172.542 174.700 -0.229 0.000 0.996 529 T CA 0.487 62.454 62.100 -0.222 0.000 1.195 529 T CB 0.224 69.032 68.868 -0.100 0.000 0.963 529 T HN 0.493 nan 8.240 nan 0.000 0.516 530 P HA 0.064 nan 4.420 nan 0.000 0.269 530 P C 0.373 177.670 177.300 -0.005 0.000 1.217 530 P CA -0.324 62.645 63.100 -0.218 0.000 0.783 530 P CB 0.468 31.967 31.700 -0.335 0.000 0.898 531 K N 1.762 122.196 120.400 0.056 0.000 3.277 531 K HA 0.097 4.416 4.320 -0.001 0.000 0.280 531 K C -0.115 176.578 176.600 0.156 0.000 1.182 531 K CA 0.436 56.777 56.287 0.090 0.000 1.219 531 K CB -0.611 31.927 32.500 0.063 0.000 1.373 531 K HN 0.423 nan 8.250 nan 0.000 0.392 532 D N 0.542 121.100 120.400 0.263 0.000 2.498 532 D HA 0.102 4.741 4.640 -0.001 0.000 0.247 532 D C 0.478 176.953 176.300 0.292 0.000 1.070 532 D CA -0.309 53.882 54.000 0.317 0.000 0.842 532 D CB 1.445 42.531 40.800 0.476 0.000 1.361 532 D HN 0.053 nan 8.370 nan 0.000 0.484 533 E N 1.935 122.253 120.200 0.197 0.000 2.333 533 E HA -0.152 4.197 4.350 -0.001 0.000 0.198 533 E C 1.350 178.024 176.600 0.124 0.000 1.007 533 E CA 0.423 56.902 56.400 0.133 0.000 0.845 533 E CB 0.047 29.805 29.700 0.096 0.000 0.766 533 E HN 0.466 nan 8.360 nan 0.000 0.507 534 F N 0.267 120.215 119.950 -0.002 0.000 2.186 534 F HA -0.149 4.377 4.527 -0.001 0.000 0.299 534 F C 1.305 176.984 175.800 -0.202 0.000 1.090 534 F CA 1.201 59.111 58.000 -0.151 0.000 1.307 534 F CB -0.116 38.688 39.000 -0.326 0.000 1.019 534 F HN -0.103 nan 8.300 nan 0.000 0.489 535 F N 0.546 120.488 119.950 -0.014 0.000 2.731 535 F HA 0.102 4.629 4.527 -0.001 0.000 0.304 535 F C 1.985 177.714 175.800 -0.117 0.000 1.133 535 F CA 0.086 58.019 58.000 -0.112 0.000 1.380 535 F CB -0.709 38.315 39.000 0.040 0.000 1.079 535 F HN 0.031 nan 8.300 nan 0.000 0.550 536 Q N 0.026 119.810 119.800 -0.025 0.000 2.226 536 Q HA -0.090 4.250 4.340 -0.001 0.000 0.204 536 Q C 0.210 176.139 176.000 -0.118 0.000 0.975 536 Q CA 0.794 56.563 55.803 -0.055 0.000 0.866 536 Q CB 0.007 28.699 28.738 -0.076 0.000 0.915 536 Q HN 0.296 nan 8.270 nan 0.000 0.440 537 N N 0.081 118.651 118.700 -0.216 0.000 2.321 537 N HA 0.118 4.858 4.740 -0.001 0.000 0.299 537 N C -1.316 174.186 175.510 -0.014 0.000 1.048 537 N CA -0.124 52.797 53.050 -0.215 0.000 0.836 537 N CB 1.936 40.061 38.487 -0.604 0.000 1.269 537 N HN -0.109 nan 8.380 nan 0.000 0.486 538 S N 1.624 117.353 115.700 0.049 0.000 2.509 538 S HA 0.076 4.546 4.470 -0.001 0.000 0.287 538 S C -0.015 174.712 174.600 0.211 0.000 1.248 538 S CA -0.474 57.785 58.200 0.097 0.000 1.089 538 S CB -0.255 62.965 63.200 0.032 0.000 0.900 538 S HN 0.324 nan 8.310 nan 0.000 0.496 539 L N 7.767 129.091 121.223 0.168 0.000 2.281 539 L HA 0.445 4.784 4.340 -0.001 0.000 0.285 539 L C -0.698 176.210 176.870 0.062 0.000 1.074 539 L CA 0.105 55.006 54.840 0.102 0.000 0.817 539 L CB 1.032 43.138 42.059 0.079 0.000 1.168 539 L HN 0.445 nan 8.230 nan 0.000 0.434 540 V N 4.354 124.293 119.914 0.042 0.000 2.407 540 V HA 0.332 4.451 4.120 -0.001 0.000 0.278 540 V C 0.761 176.802 176.094 -0.088 0.000 1.037 540 V CA -0.590 61.733 62.300 0.038 0.000 0.900 540 V CB 1.055 32.975 31.823 0.161 0.000 0.983 540 V HN 0.897 nan 8.190 nan 0.000 0.459 541 S N 2.170 117.786 115.700 -0.141 0.000 3.628 541 S HA -0.161 4.309 4.470 -0.001 0.000 0.373 541 S C 0.447 174.924 174.600 -0.206 0.000 0.968 541 S CA 0.591 58.637 58.200 -0.258 0.000 1.215 541 S CB -0.964 61.891 63.200 -0.575 0.000 0.912 541 S HN 1.428 nan 8.310 nan 0.000 0.495 542 A N 0.627 123.404 122.820 -0.071 0.000 2.239 542 A HA 0.825 5.144 4.320 -0.001 0.000 0.303 542 A C 0.820 178.403 177.584 -0.002 0.000 1.114 542 A CA 0.032 52.063 52.037 -0.010 0.000 0.871 542 A CB 0.464 19.500 19.000 0.060 0.000 1.201 542 A HN 0.966 nan 8.150 nan 0.000 0.506 543 G N -1.395 107.416 108.800 0.018 0.000 2.389 543 G HA2 0.564 4.523 3.960 -0.001 0.000 0.317 543 G HA3 0.564 4.523 3.960 -0.001 0.000 0.317 543 G C -1.207 173.730 174.900 0.063 0.000 1.137 543 G CA -0.218 44.891 45.100 0.014 0.000 0.870 543 G HN 1.262 nan 8.290 nan 0.000 0.496 544 L N 0.716 121.989 121.223 0.084 0.000 2.661 544 L HA 0.577 4.916 4.340 -0.001 0.000 0.263 544 L C -1.189 175.790 176.870 0.182 0.000 0.956 544 L CA -0.445 54.497 54.840 0.170 0.000 0.918 544 L CB 1.848 44.032 42.059 0.208 0.000 1.280 544 L HN 0.444 nan 8.230 nan 0.000 0.416 545 E N 3.062 123.388 120.200 0.210 0.000 2.392 545 E HA 0.528 4.877 4.350 -0.001 0.000 0.269 545 E C -1.926 174.908 176.600 0.391 0.000 0.924 545 E CA -0.448 56.122 56.400 0.284 0.000 0.784 545 E CB 2.872 32.733 29.700 0.269 0.000 1.292 545 E HN 0.452 nan 8.360 nan 0.000 0.447 546 F N 0.807 120.861 119.950 0.174 0.000 2.556 546 F HA 0.293 4.819 4.527 -0.001 0.000 0.314 546 F C -0.887 174.805 175.800 -0.181 0.000 1.106 546 F CA -0.741 57.275 58.000 0.028 0.000 0.911 546 F CB 1.679 40.716 39.000 0.062 0.000 1.190 546 F HN 0.219 nan 8.300 nan 0.000 0.448 547 D N 6.661 126.576 120.400 -0.809 0.000 2.381 547 D HA 0.430 5.069 4.640 -0.001 0.000 0.235 547 D C -2.100 173.957 176.300 -0.405 0.000 1.068 547 D CA -2.314 51.237 54.000 -0.747 0.000 0.832 547 D CB 2.253 42.254 40.800 -1.331 0.000 1.101 547 D HN 0.128 nan 8.370 nan 0.000 0.515 548 P HA -0.140 nan 4.420 nan 0.000 0.217 548 P C 1.340 178.629 177.300 -0.018 0.000 1.150 548 P CA 0.430 63.573 63.100 0.071 0.000 0.832 548 P CB 0.322 32.066 31.700 0.073 0.000 0.787 549 V N 0.746 120.603 119.914 -0.095 0.000 2.216 549 V HA -0.225 3.894 4.120 -0.001 0.000 0.242 549 V C 2.206 178.238 176.094 -0.103 0.000 1.042 549 V CA 2.723 64.974 62.300 -0.082 0.000 0.991 549 V CB -1.761 30.009 31.823 -0.087 0.000 0.633 549 V HN 0.215 nan 8.190 nan 0.000 0.449 550 S N -0.703 114.889 115.700 -0.179 0.000 2.653 550 S HA -0.063 4.406 4.470 -0.001 0.000 0.233 550 S C 0.903 175.394 174.600 -0.180 0.000 0.970 550 S CA 0.452 58.554 58.200 -0.164 0.000 0.947 550 S CB -0.631 62.460 63.200 -0.181 0.000 0.771 550 S HN 0.602 nan 8.310 nan 0.000 0.538 551 K N 0.732 121.027 120.400 -0.175 0.000 3.016 551 K HA -0.239 4.080 4.320 -0.001 0.000 0.262 551 K C 0.083 176.563 176.600 -0.199 0.000 1.043 551 K CA 1.269 57.511 56.287 -0.076 0.000 0.761 551 K CB -1.727 30.791 32.500 0.030 0.000 1.230 551 K HN 0.962 nan 8.250 nan 0.000 0.485 552 Q N -1.692 117.723 119.800 -0.643 0.000 2.693 552 Q HA 0.764 5.103 4.340 -0.001 0.000 0.306 552 Q C -0.324 174.863 176.000 -1.354 0.000 0.969 552 Q CA -1.008 54.349 55.803 -0.743 0.000 0.757 552 Q CB 2.143 30.677 28.738 -0.340 0.000 1.494 552 Q HN 0.074 nan 8.270 nan 0.000 0.459 553 G N 0.102 108.258 108.800 -1.073 0.000 2.690 553 G HA2 0.661 4.620 3.960 -0.001 0.000 0.291 553 G HA3 0.661 4.620 3.960 -0.001 0.000 0.291 553 G C -1.408 172.889 174.900 -1.005 0.000 1.403 553 G CA -0.859 43.692 45.100 -0.914 0.000 0.864 553 G HN 0.517 nan 8.290 nan 0.000 0.480 554 I N 0.332 120.663 120.570 -0.398 0.000 2.603 554 I HA 0.487 4.657 4.170 -0.001 0.000 0.300 554 I C -0.596 175.559 176.117 0.064 0.000 1.017 554 I CA -0.905 60.263 61.300 -0.219 0.000 1.098 554 I CB 2.379 40.259 38.000 -0.201 0.000 1.279 554 I HN 0.171 nan 8.210 nan 0.000 0.437 555 I N 5.887 126.545 120.570 0.147 0.000 2.406 555 I HA 0.352 4.522 4.170 -0.001 0.000 0.290 555 I C -0.994 175.134 176.117 0.018 0.000 0.999 555 I CA -0.634 60.787 61.300 0.202 0.000 1.124 555 I CB 1.981 40.201 38.000 0.367 0.000 1.289 555 I HN 0.233 nan 8.210 nan 0.000 0.441 556 L N 6.522 127.741 121.223 -0.006 0.000 2.356 556 L HA 0.643 4.983 4.340 -0.001 0.000 0.277 556 L C 0.588 177.457 176.870 -0.001 0.000 0.996 556 L CA 0.418 55.198 54.840 -0.100 0.000 0.822 556 L CB 0.913 42.879 42.059 -0.156 0.000 1.256 556 L HN 0.885 nan 8.230 nan 0.000 0.413 557 G N 4.008 112.826 108.800 0.030 0.000 2.582 557 G HA2 0.100 4.060 3.960 -0.001 0.000 0.288 557 G HA3 0.100 4.060 3.960 -0.001 0.000 0.288 557 G C 0.360 175.312 174.900 0.086 0.000 1.247 557 G CA 0.085 45.250 45.100 0.110 0.000 0.972 557 G HN 2.115 nan 8.290 nan 0.000 0.557 558 G N -2.448 106.398 108.800 0.077 0.000 2.650 558 G HA2 0.588 4.547 3.960 -0.001 0.000 0.686 558 G HA3 0.588 4.547 3.960 -0.001 0.000 0.686 558 G C 0.375 175.256 174.900 -0.033 0.000 1.205 558 G CA 0.558 45.666 45.100 0.013 0.000 0.781 558 G HN 2.495 nan 8.290 nan 0.000 0.648 559 G N -0.796 108.052 108.800 0.081 0.000 2.597 559 G HA2 0.891 4.850 3.960 -0.001 0.000 0.317 559 G HA3 0.891 4.850 3.960 -0.001 0.000 0.317 559 G C -0.548 174.246 174.900 -0.177 0.000 1.230 559 G CA -1.025 44.121 45.100 0.078 0.000 0.996 559 G HN 0.711 nan 8.290 nan 0.000 0.490 560 F N -1.154 118.931 119.950 0.225 0.000 2.572 560 F HA 0.383 4.909 4.527 -0.001 0.000 0.342 560 F C 1.684 177.563 175.800 0.133 0.000 1.064 560 F CA -0.958 57.123 58.000 0.135 0.000 1.008 560 F CB 2.115 41.167 39.000 0.087 0.000 1.303 560 F HN 0.202 nan 8.300 nan 0.000 0.492 561 M N 0.555 120.343 119.600 0.313 0.000 2.659 561 M HA -0.066 4.414 4.480 -0.001 0.000 0.243 561 M C 0.915 177.306 176.300 0.153 0.000 1.111 561 M CA 0.593 56.001 55.300 0.180 0.000 1.070 561 M CB -0.498 32.164 32.600 0.102 0.000 1.525 561 M HN 0.549 nan 8.290 nan 0.000 0.517 562 D N -0.311 120.197 120.400 0.181 0.000 2.349 562 D HA -0.125 4.514 4.640 -0.001 0.000 0.224 562 D C 0.448 176.871 176.300 0.205 0.000 1.029 562 D CA 0.299 54.385 54.000 0.143 0.000 0.879 562 D CB -0.325 40.545 40.800 0.117 0.000 0.906 562 D HN 0.373 nan 8.370 nan 0.000 0.528 563 Q N -1.575 118.364 119.800 0.231 0.000 2.450 563 Q HA -0.233 4.107 4.340 -0.001 0.000 0.255 563 Q C 0.240 176.472 176.000 0.386 0.000 1.003 563 Q CA 1.385 57.326 55.803 0.229 0.000 1.097 563 Q CB -2.180 26.646 28.738 0.147 0.000 1.544 563 Q HN 0.411 nan 8.270 nan 0.000 0.531 564 T N -2.320 112.487 114.554 0.423 0.000 3.057 564 T HA 0.056 4.405 4.350 -0.001 0.000 0.254 564 T C 0.504 175.496 174.700 0.488 0.000 0.965 564 T CA 0.716 63.139 62.100 0.539 0.000 0.978 564 T CB 0.696 69.777 68.868 0.354 0.000 1.169 564 T HN 0.147 nan 8.240 nan 0.000 0.489 565 T N 2.528 117.322 114.554 0.400 0.000 2.909 565 T HA 0.625 4.974 4.350 -0.001 0.000 0.286 565 T C -0.735 174.153 174.700 0.314 0.000 1.002 565 T CA -0.280 62.058 62.100 0.397 0.000 1.074 565 T CB 1.654 70.822 68.868 0.499 0.000 0.984 565 T HN -0.065 nan 8.240 nan 0.000 0.495 566 V N 2.358 122.419 119.914 0.246 0.000 2.567 566 V HA 0.351 4.470 4.120 -0.001 0.000 0.298 566 V C 0.269 176.433 176.094 0.116 0.000 1.047 566 V CA -1.075 61.305 62.300 0.134 0.000 0.880 566 V CB 1.794 33.744 31.823 0.211 0.000 1.009 566 V HN 1.025 nan 8.190 nan 0.000 0.429 567 S N 2.855 118.541 115.700 -0.023 0.000 2.558 567 S HA 0.015 4.485 4.470 -0.001 0.000 0.293 567 S C 0.737 175.453 174.600 0.192 0.000 1.292 567 S CA 0.557 58.840 58.200 0.139 0.000 1.063 567 S CB 0.402 63.693 63.200 0.152 0.000 0.831 567 S HN 0.952 nan 8.310 nan 0.000 0.499 568 D N 2.491 123.027 120.400 0.227 0.000 2.424 568 D HA 0.206 4.846 4.640 -0.001 0.000 0.220 568 D C -0.214 176.273 176.300 0.312 0.000 1.150 568 D CA -0.244 53.910 54.000 0.257 0.000 0.831 568 D CB 0.103 41.023 40.800 0.199 0.000 0.981 568 D HN 0.271 nan 8.370 nan 0.000 0.500 569 K N 0.680 121.207 120.400 0.211 0.000 2.138 569 K HA 0.688 5.007 4.320 -0.001 0.000 0.263 569 K C -0.523 176.036 176.600 -0.068 0.000 0.965 569 K CA -0.812 55.532 56.287 0.095 0.000 0.868 569 K CB 2.342 34.798 32.500 -0.073 0.000 1.083 569 K HN 0.090 nan 8.250 nan 0.000 0.443 570 A N 4.196 126.901 122.820 -0.192 0.000 2.258 570 A HA 0.469 4.788 4.320 -0.001 0.000 0.316 570 A C -0.306 177.142 177.584 -0.227 0.000 1.279 570 A CA -0.742 51.052 52.037 -0.404 0.000 0.876 570 A CB 0.174 18.675 19.000 -0.831 0.000 1.170 570 A HN 0.516 nan 8.150 nan 0.000 0.520 571 I N 4.808 125.275 120.570 -0.172 0.000 2.312 571 I HA 0.262 4.431 4.170 -0.001 0.000 0.290 571 I C -0.319 175.807 176.117 0.014 0.000 1.008 571 I CA -0.485 60.765 61.300 -0.084 0.000 1.226 571 I CB 0.936 38.894 38.000 -0.071 0.000 1.371 571 I HN 0.397 nan 8.210 nan 0.000 0.468 572 I N 7.689 128.256 120.570 -0.004 0.000 2.396 572 I HA 0.441 4.610 4.170 -0.001 0.000 0.292 572 I C -0.052 176.123 176.117 0.096 0.000 0.999 572 I CA -0.432 60.833 61.300 -0.058 0.000 1.310 572 I CB 0.659 38.623 38.000 -0.060 0.000 1.404 572 I HN 0.390 nan 8.210 nan 0.000 0.496 573 F N 3.834 123.853 119.950 0.114 0.000 2.664 573 F HA 0.810 5.336 4.527 -0.001 0.000 0.317 573 F C -0.730 175.179 175.800 0.182 0.000 1.108 573 F CA -1.235 56.863 58.000 0.163 0.000 0.957 573 F CB 1.466 40.599 39.000 0.222 0.000 1.365 573 F HN 0.262 nan 8.300 nan 0.000 0.475 574 K N -0.127 120.612 120.400 0.565 0.000 2.352 574 K HA 0.511 4.831 4.320 -0.001 0.000 0.240 574 K C -2.243 174.744 176.600 0.644 0.000 1.017 574 K CA -1.125 55.464 56.287 0.503 0.000 0.851 574 K CB 2.449 35.109 32.500 0.266 0.000 1.261 574 K HN 0.753 nan 8.250 nan 0.000 0.451 575 Y N 1.341 121.898 120.300 0.427 0.000 2.363 575 Y HA 0.204 4.753 4.550 -0.001 0.000 0.325 575 Y C -1.321 174.659 175.900 0.134 0.000 0.984 575 Y CA -1.199 57.040 58.100 0.232 0.000 1.248 575 Y CB 1.030 39.544 38.460 0.090 0.000 1.116 575 Y HN 0.457 nan 8.280 nan 0.000 0.470 576 D N 5.057 125.273 120.400 -0.306 0.000 2.441 576 D HA 0.307 4.947 4.640 -0.001 0.000 0.221 576 D C 0.886 176.802 176.300 -0.639 0.000 1.156 576 D CA 0.473 54.268 54.000 -0.342 0.000 0.896 576 D CB 1.322 42.033 40.800 -0.149 0.000 1.028 576 D HN 0.794 nan 8.370 nan 0.000 0.509 577 A N 3.837 126.216 122.820 -0.735 0.000 1.972 577 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 577 A C 1.699 179.118 177.584 -0.276 0.000 1.169 577 A CA 1.214 52.878 52.037 -0.621 0.000 0.635 577 A CB -0.117 18.722 19.000 -0.269 0.000 0.810 577 A HN 0.516 nan 8.150 nan 0.000 0.446 578 E N 0.076 120.159 120.200 -0.195 0.000 2.502 578 E HA 0.015 4.364 4.350 -0.001 0.000 0.194 578 E C 0.323 176.863 176.600 -0.101 0.000 1.062 578 E CA -0.074 56.258 56.400 -0.113 0.000 0.867 578 E CB 0.002 29.655 29.700 -0.078 0.000 0.888 578 E HN 0.485 nan 8.360 nan 0.000 0.510 579 N N 0.561 119.181 118.700 -0.133 0.000 2.419 579 N HA 0.298 5.037 4.740 -0.001 0.000 0.277 579 N C -0.942 174.521 175.510 -0.080 0.000 1.006 579 N CA -0.275 52.719 53.050 -0.093 0.000 0.923 579 N CB 1.465 39.899 38.487 -0.087 0.000 1.140 579 N HN -0.019 nan 8.380 nan 0.000 0.488 580 A N 2.478 125.268 122.820 -0.049 0.000 2.793 580 A HA 0.254 4.573 4.320 -0.001 0.000 0.301 580 A C 0.936 178.507 177.584 -0.022 0.000 1.172 580 A CA 0.005 52.022 52.037 -0.034 0.000 0.973 580 A CB -0.221 18.760 19.000 -0.031 0.000 1.164 580 A HN 0.739 nan 8.150 nan 0.000 0.542 581 T N -2.821 111.720 114.554 -0.022 0.000 3.172 581 T HA 0.176 4.525 4.350 -0.001 0.000 0.261 581 T C -0.150 174.540 174.700 -0.016 0.000 0.854 581 T CA 0.408 62.499 62.100 -0.015 0.000 0.848 581 T CB 0.190 69.052 68.868 -0.011 0.000 1.267 581 T HN 0.227 nan 8.240 nan 0.000 0.581 582 E N 1.577 121.765 120.200 -0.020 0.000 3.626 582 E HA 0.249 4.599 4.350 -0.001 0.000 0.245 582 E C -2.461 174.126 176.600 -0.022 0.000 1.236 582 E CA -1.450 54.940 56.400 -0.017 0.000 1.072 582 E CB 2.020 31.717 29.700 -0.004 0.000 1.309 582 E HN 0.304 nan 8.360 nan 0.000 0.400 583 P HA -0.034 nan 4.420 nan 0.000 0.219 583 P C 0.380 177.709 177.300 0.049 0.000 1.150 583 P CA 0.738 63.809 63.100 -0.048 0.000 0.814 583 P CB 0.495 32.215 31.700 0.032 0.000 0.787 584 I N 0.388 120.987 120.570 0.049 0.000 2.354 584 I HA 0.238 4.408 4.170 -0.001 0.000 0.292 584 I C 0.345 176.484 176.117 0.037 0.000 0.989 584 I CA -0.253 61.072 61.300 0.041 0.000 1.188 584 I CB 0.909 38.820 38.000 -0.148 0.000 1.342 584 I HN -0.062 nan 8.210 nan 0.000 0.457 585 T N 2.970 117.606 114.554 0.136 0.000 2.900 585 T HA 0.635 4.985 4.350 -0.001 0.000 0.295 585 T C -0.436 174.409 174.700 0.241 0.000 1.044 585 T CA -0.753 61.436 62.100 0.148 0.000 0.995 585 T CB 2.024 70.965 68.868 0.122 0.000 1.072 585 T HN 0.113 nan 8.240 nan 0.000 0.473 586 V N 3.965 124.021 119.914 0.236 0.000 2.408 586 V HA 0.246 4.365 4.120 -0.001 0.000 0.267 586 V C 1.414 177.618 176.094 0.183 0.000 1.047 586 V CA -0.407 62.054 62.300 0.268 0.000 0.937 586 V CB 0.077 32.065 31.823 0.274 0.000 0.999 586 V HN 0.902 nan 8.190 nan 0.000 0.472 587 I N 2.870 123.541 120.570 0.167 0.000 2.277 587 I HA 0.057 4.226 4.170 -0.001 0.000 0.243 587 I C 1.138 177.300 176.117 0.075 0.000 1.094 587 I CA 1.184 62.546 61.300 0.103 0.000 1.393 587 I CB 0.152 38.196 38.000 0.073 0.000 1.078 587 I HN 0.605 nan 8.210 nan 0.000 0.417 588 K N 0.543 120.982 120.400 0.065 0.000 2.587 588 K HA 0.353 4.672 4.320 -0.001 0.000 0.276 588 K C -1.593 175.015 176.600 0.012 0.000 0.956 588 K CA -0.689 55.620 56.287 0.038 0.000 0.857 588 K CB 1.843 34.359 32.500 0.027 0.000 1.431 588 K HN -0.181 nan 8.250 nan 0.000 0.420 589 K N 3.582 123.981 120.400 -0.001 0.000 2.413 589 K HA 0.437 4.756 4.320 -0.001 0.000 0.257 589 K C -0.883 175.722 176.600 0.008 0.000 0.946 589 K CA -0.640 55.622 56.287 -0.041 0.000 0.823 589 K CB 1.409 33.863 32.500 -0.076 0.000 1.109 589 K HN 0.366 nan 8.250 nan 0.000 0.427 590 L N 2.257 123.496 121.223 0.027 0.000 2.334 590 L HA 0.448 4.787 4.340 -0.001 0.000 0.275 590 L C -0.175 176.845 176.870 0.250 0.000 1.036 590 L CA -0.776 54.148 54.840 0.141 0.000 0.807 590 L CB 1.627 43.802 42.059 0.194 0.000 1.231 590 L HN 0.575 nan 8.230 nan 0.000 0.438 591 Q N 1.907 121.872 119.800 0.274 0.000 2.375 591 Q HA 0.520 4.860 4.340 -0.001 0.000 0.271 591 Q C -1.673 174.455 176.000 0.213 0.000 1.074 591 Q CA -0.752 55.217 55.803 0.276 0.000 0.808 591 Q CB 2.497 31.325 28.738 0.150 0.000 1.327 591 Q HN 0.719 nan 8.270 nan 0.000 0.441 592 H N 2.102 121.157 119.070 -0.024 0.000 3.041 592 H HA 0.178 4.733 4.556 -0.001 0.000 0.293 592 H C -2.551 172.646 175.328 -0.218 0.000 1.166 592 H CA -0.839 55.032 56.048 -0.296 0.000 1.529 592 H CB 1.574 30.873 29.762 -0.770 0.000 2.050 592 H HN 0.434 nan 8.280 nan 0.000 0.505 593 P HA -0.120 nan 4.420 nan 0.000 0.217 593 P C 1.272 178.572 177.300 0.001 0.000 1.148 593 P CA 1.157 64.128 63.100 -0.215 0.000 0.828 593 P CB 0.279 31.790 31.700 -0.316 0.000 0.783 594 L N -2.719 118.583 121.223 0.132 0.000 2.610 594 L HA 0.036 4.376 4.340 -0.001 0.000 0.232 594 L C 1.826 178.923 176.870 0.377 0.000 1.149 594 L CA 0.506 55.530 54.840 0.307 0.000 0.872 594 L CB -0.556 41.686 42.059 0.305 0.000 0.992 594 L HN 0.004 nan 8.230 nan 0.000 0.447 595 F N -0.794 119.317 119.950 0.268 0.000 2.569 595 F HA -0.035 4.491 4.527 -0.001 0.000 0.295 595 F C 1.778 177.684 175.800 0.177 0.000 1.115 595 F CA -0.244 57.861 58.000 0.174 0.000 1.450 595 F CB 0.273 39.356 39.000 0.139 0.000 1.107 595 F HN 0.063 nan 8.300 nan 0.000 0.563 596 Q N 2.536 122.556 119.800 0.367 0.000 2.903 596 Q HA 0.040 4.379 4.340 -0.001 0.000 0.243 596 Q C -0.717 175.478 176.000 0.326 0.000 1.366 596 Q CA 0.146 56.117 55.803 0.279 0.000 0.898 596 Q CB -0.105 28.744 28.738 0.185 0.000 1.718 596 Q HN 0.348 nan 8.270 nan 0.000 0.557 597 R N 1.463 122.159 120.500 0.326 0.000 2.711 597 R HA 0.376 4.715 4.340 -0.001 0.000 0.284 597 R C -1.452 175.051 176.300 0.338 0.000 0.968 597 R CA -0.785 55.529 56.100 0.355 0.000 0.924 597 R CB 1.636 32.083 30.300 0.244 0.000 1.162 597 R HN 0.305 nan 8.270 nan 0.000 0.465 598 Y N 0.122 120.576 120.300 0.257 0.000 2.326 598 Y HA 0.421 4.970 4.550 -0.001 0.000 0.329 598 Y C 0.489 176.533 175.900 0.239 0.000 0.973 598 Y CA 0.054 58.294 58.100 0.234 0.000 1.162 598 Y CB 1.769 40.410 38.460 0.302 0.000 1.147 598 Y HN 0.886 nan 8.280 nan 0.000 0.456 599 G N 3.413 112.083 108.800 -0.217 0.000 2.142 599 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.225 599 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.225 599 G C -0.173 174.743 174.900 0.026 0.000 1.015 599 G CA 0.209 45.247 45.100 -0.104 0.000 0.716 599 G HN 1.118 nan 8.290 nan 0.000 0.508 600 S N -0.831 114.888 115.700 0.033 0.000 2.707 600 S HA 0.836 5.305 4.470 -0.001 0.000 0.276 600 S C -0.264 174.309 174.600 -0.044 0.000 1.179 600 S CA -0.518 57.744 58.200 0.103 0.000 0.992 600 S CB 2.173 65.435 63.200 0.103 0.000 1.030 600 S HN 0.381 nan 8.310 nan 0.000 0.554 601 Q N 0.895 120.715 119.800 0.034 0.000 2.323 601 Q HA 0.504 4.844 4.340 -0.001 0.000 0.271 601 Q C -0.487 175.541 176.000 0.047 0.000 1.048 601 Q CA -0.460 55.315 55.803 -0.046 0.000 0.792 601 Q CB 1.986 30.602 28.738 -0.202 0.000 1.280 601 Q HN 0.901 nan 8.270 nan 0.000 0.441 602 I N -1.674 118.897 120.570 0.001 0.000 2.947 602 I HA 0.834 5.003 4.170 -0.001 0.000 0.314 602 I C -0.598 175.503 176.117 -0.027 0.000 1.028 602 I CA -0.950 60.330 61.300 -0.034 0.000 1.077 602 I CB 2.213 40.156 38.000 -0.095 0.000 1.274 602 I HN 0.406 nan 8.210 nan 0.000 0.485 603 K N 1.990 122.340 120.400 -0.084 0.000 2.610 603 K HA 0.397 4.716 4.320 -0.001 0.000 0.278 603 K C -2.147 174.383 176.600 -0.117 0.000 0.964 603 K CA -0.602 55.667 56.287 -0.029 0.000 0.859 603 K CB 1.664 34.182 32.500 0.030 0.000 1.434 603 K HN 0.590 nan 8.250 nan 0.000 0.410 604 Y N 3.983 124.259 120.300 -0.040 0.000 2.452 604 Y HA 0.231 4.780 4.550 -0.001 0.000 0.348 604 Y C 1.175 177.029 175.900 -0.077 0.000 0.985 604 Y CA -0.148 57.913 58.100 -0.065 0.000 1.214 604 Y CB 0.449 38.873 38.460 -0.060 0.000 1.136 604 Y HN 0.499 nan 8.280 nan 0.000 0.523 605 I N 1.290 121.839 120.570 -0.034 0.000 2.233 605 I HA -0.127 4.043 4.170 -0.001 0.000 0.243 605 I C 1.076 177.177 176.117 -0.027 0.000 1.093 605 I CA 1.202 62.424 61.300 -0.130 0.000 1.380 605 I CB -0.089 37.659 38.000 -0.420 0.000 1.067 605 I HN 0.589 nan 8.210 nan 0.000 0.413 606 T N -3.868 110.701 114.554 0.025 0.000 2.865 606 T HA 0.352 4.701 4.350 -0.001 0.000 0.294 606 T C -2.398 172.389 174.700 0.145 0.000 1.119 606 T CA -1.746 60.399 62.100 0.074 0.000 1.007 606 T CB 1.677 70.586 68.868 0.069 0.000 1.225 606 T HN -0.300 nan 8.240 nan 0.000 0.515 607 P HA 0.055 nan 4.420 nan 0.000 0.226 607 P C 0.767 178.135 177.300 0.112 0.000 1.146 607 P CA 0.789 63.911 63.100 0.037 0.000 0.773 607 P CB 0.131 31.808 31.700 -0.037 0.000 0.772 608 R N -0.898 119.659 120.500 0.095 0.000 2.662 608 R HA 0.245 4.585 4.340 -0.001 0.000 0.396 608 R C -0.212 176.111 176.300 0.039 0.000 1.096 608 R CA -0.085 56.052 56.100 0.063 0.000 1.081 608 R CB 0.260 30.584 30.300 0.040 0.000 1.382 608 R HN -0.078 nan 8.270 nan 0.000 0.580 609 K N 0.928 121.346 120.400 0.030 0.000 2.670 609 K HA 0.144 4.464 4.320 -0.001 0.000 0.274 609 K C -2.035 174.478 176.600 -0.146 0.000 1.068 609 K CA -0.582 55.675 56.287 -0.050 0.000 0.967 609 K CB 1.124 33.599 32.500 -0.042 0.000 1.297 609 K HN -0.003 nan 8.250 nan 0.000 0.477 610 L N 5.590 126.672 121.223 -0.235 0.000 2.262 610 L HA 0.428 4.767 4.340 -0.001 0.000 0.288 610 L C -1.101 175.625 176.870 -0.241 0.000 1.035 610 L CA -0.693 53.915 54.840 -0.386 0.000 0.820 610 L CB 0.938 42.675 42.059 -0.537 0.000 1.204 610 L HN 0.660 nan 8.230 nan 0.000 0.424 611 L N 6.980 128.076 121.223 -0.212 0.000 2.456 611 L HA 0.342 4.681 4.340 -0.001 0.000 0.277 611 L C -0.467 176.344 176.870 -0.099 0.000 1.124 611 L CA 0.697 55.454 54.840 -0.138 0.000 0.880 611 L CB -0.177 41.809 42.059 -0.122 0.000 1.192 611 L HN 0.506 nan 8.230 nan 0.000 0.463 612 I N 5.925 126.453 120.570 -0.070 0.000 2.315 612 I HA 0.376 4.545 4.170 -0.001 0.000 0.291 612 I C -0.581 175.522 176.117 -0.024 0.000 1.006 612 I CA -0.648 60.630 61.300 -0.036 0.000 1.265 612 I CB 1.367 39.363 38.000 -0.007 0.000 1.387 612 I HN 0.227 nan 8.210 nan 0.000 0.475 613 V N 5.424 125.355 119.914 0.028 0.000 2.588 613 V HA 0.771 4.890 4.120 -0.001 0.000 0.304 613 V C 0.628 176.760 176.094 0.064 0.000 1.042 613 V CA -0.196 62.112 62.300 0.012 0.000 0.877 613 V CB 1.179 33.044 31.823 0.069 0.000 0.996 613 V HN 1.100 nan 8.190 nan 0.000 0.425 614 G N 3.450 112.148 108.800 -0.170 0.000 2.575 614 G HA2 0.350 4.310 3.960 -0.001 0.000 0.267 614 G HA3 0.350 4.310 3.960 -0.001 0.000 0.267 614 G C 0.573 175.462 174.900 -0.019 0.000 1.264 614 G CA -0.048 44.956 45.100 -0.160 0.000 0.935 614 G HN 2.644 nan 8.290 nan 0.000 0.568 615 G N -3.266 105.664 108.800 0.217 0.000 2.746 615 G HA2 0.489 4.448 3.960 -0.001 0.000 0.685 615 G HA3 0.489 4.448 3.960 -0.001 0.000 0.685 615 G C 0.243 175.376 174.900 0.387 0.000 1.350 615 G CA 0.719 45.993 45.100 0.290 0.000 0.837 615 G HN 2.944 nan 8.290 nan 0.000 0.564 616 T N -2.553 112.322 114.554 0.534 0.000 2.938 616 T HA 0.865 5.214 4.350 -0.001 0.000 0.285 616 T C 0.150 175.163 174.700 0.521 0.000 1.028 616 T CA 0.300 62.756 62.100 0.594 0.000 1.005 616 T CB 2.078 71.295 68.868 0.583 0.000 1.157 616 T HN 2.194 nan 8.240 nan 0.000 0.550 617 S N 0.403 116.188 115.700 0.142 0.000 2.546 617 S HA 0.565 5.035 4.470 -0.001 0.000 0.274 617 S C -2.274 171.968 174.600 -0.596 0.000 1.121 617 S CA -1.671 56.447 58.200 -0.137 0.000 0.887 617 S CB 1.923 65.038 63.200 -0.141 0.000 1.094 617 S HN 0.576 nan 8.310 nan 0.000 0.474 618 P HA 0.010 nan 4.420 nan 0.000 0.229 618 P C 1.259 178.395 177.300 -0.273 0.000 1.160 618 P CA 0.827 63.423 63.100 -0.841 0.000 0.777 618 P CB -0.057 31.497 31.700 -0.243 0.000 0.814 619 S N -1.282 114.301 115.700 -0.194 0.000 2.356 619 S HA 0.300 4.769 4.470 -0.001 0.000 0.219 619 S C 1.229 175.623 174.600 -0.344 0.000 1.036 619 S CA 0.870 58.973 58.200 -0.161 0.000 0.965 619 S CB -0.884 62.219 63.200 -0.161 0.000 0.864 619 S HN 0.285 nan 8.310 nan 0.000 0.471 620 G N 0.018 108.459 108.800 -0.598 0.000 2.634 620 G HA2 0.565 4.525 3.960 -0.001 0.000 0.309 620 G HA3 0.565 4.525 3.960 -0.001 0.000 0.309 620 G C -1.761 172.619 174.900 -0.867 0.000 1.299 620 G CA -1.070 43.483 45.100 -0.912 0.000 0.798 620 G HN 0.334 nan 8.290 nan 0.000 0.490 621 L N 0.170 121.016 121.223 -0.629 0.000 2.357 621 L HA 0.529 4.868 4.340 -0.001 0.000 0.273 621 L C -0.559 176.143 176.870 -0.280 0.000 1.080 621 L CA -0.623 54.032 54.840 -0.308 0.000 0.803 621 L CB 1.271 43.267 42.059 -0.104 0.000 1.174 621 L HN 0.357 nan 8.230 nan 0.000 0.443 622 F N 0.790 120.783 119.950 0.071 0.000 2.396 622 F HA 0.169 4.696 4.527 -0.001 0.000 0.343 622 F C 0.600 176.473 175.800 0.122 0.000 1.104 622 F CA -0.458 57.587 58.000 0.076 0.000 1.161 622 F CB 0.974 40.038 39.000 0.106 0.000 1.146 622 F HN 0.559 nan 8.300 nan 0.000 0.522 623 D N 1.000 121.499 120.400 0.165 0.000 2.589 623 D HA 0.313 4.952 4.640 -0.001 0.000 0.268 623 D C 0.720 176.805 176.300 -0.358 0.000 1.182 623 D CA -0.669 53.257 54.000 -0.122 0.000 1.087 623 D CB 0.421 41.115 40.800 -0.176 0.000 1.186 623 D HN 0.407 nan 8.370 nan 0.000 0.620 624 R N -1.126 118.918 120.500 -0.760 0.000 2.235 624 R HA -0.002 4.338 4.340 -0.001 0.000 0.213 624 R C 1.733 177.879 176.300 -0.257 0.000 1.059 624 R CA 1.436 57.161 56.100 -0.624 0.000 0.997 624 R CB -0.650 29.194 30.300 -0.759 0.000 0.884 624 R HN 0.686 nan 8.270 nan 0.000 0.462 625 T N 0.065 114.505 114.554 -0.190 0.000 3.035 625 T HA -0.022 4.328 4.350 -0.001 0.000 0.259 625 T C 1.116 175.797 174.700 -0.031 0.000 1.078 625 T CA 0.876 62.920 62.100 -0.095 0.000 1.132 625 T CB 0.030 68.850 68.868 -0.080 0.000 0.900 625 T HN 0.346 nan 8.240 nan 0.000 0.480 626 N N -0.422 118.287 118.700 0.015 0.000 2.184 626 N HA 0.284 5.023 4.740 -0.001 0.000 0.234 626 N C 1.106 176.674 175.510 0.096 0.000 1.282 626 N CA -0.086 53.019 53.050 0.091 0.000 0.877 626 N CB -0.189 38.403 38.487 0.175 0.000 1.184 626 N HN 0.178 nan 8.380 nan 0.000 0.510 627 S N 0.292 116.021 115.700 0.050 0.000 2.383 627 S HA 0.211 4.680 4.470 -0.001 0.000 0.227 627 S C 0.590 175.099 174.600 -0.150 0.000 1.026 627 S CA 0.561 58.730 58.200 -0.051 0.000 0.981 627 S CB -0.039 63.211 63.200 0.085 0.000 0.818 627 S HN 0.382 nan 8.310 nan 0.000 0.472 628 I N 1.773 122.296 120.570 -0.078 0.000 2.466 628 I HA 0.506 4.675 4.170 -0.001 0.000 0.289 628 I C -0.401 175.688 176.117 -0.046 0.000 1.026 628 I CA -0.643 60.611 61.300 -0.076 0.000 1.078 628 I CB 1.781 39.742 38.000 -0.064 0.000 1.249 628 I HN 0.152 nan 8.210 nan 0.000 0.429 629 I N 2.320 122.866 120.570 -0.040 0.000 3.509 629 I HA 0.843 5.012 4.170 -0.001 0.000 0.311 629 I C -0.795 175.305 176.117 -0.029 0.000 1.178 629 I CA -0.695 60.592 61.300 -0.022 0.000 0.963 629 I CB 2.417 40.416 38.000 -0.002 0.000 1.352 629 I HN 0.549 nan 8.210 nan 0.000 0.482 630 S N 1.603 117.289 115.700 -0.023 0.000 2.541 630 S HA 0.781 5.250 4.470 -0.001 0.000 0.271 630 S C -1.209 173.378 174.600 -0.020 0.000 1.133 630 S CA -0.699 57.476 58.200 -0.041 0.000 0.876 630 S CB 2.018 65.184 63.200 -0.056 0.000 1.105 630 S HN 1.137 nan 8.310 nan 0.000 0.470 631 L N 0.462 121.666 121.223 -0.032 0.000 2.381 631 L HA 0.836 5.176 4.340 -0.001 0.000 0.268 631 L C -1.394 175.457 176.870 -0.032 0.000 0.997 631 L CA -0.327 54.513 54.840 -0.000 0.000 0.818 631 L CB 2.082 44.187 42.059 0.077 0.000 1.310 631 L HN 0.736 nan 8.230 nan 0.000 0.416 632 D N 4.221 124.615 120.400 -0.009 0.000 2.412 632 D HA 0.423 5.062 4.640 -0.001 0.000 0.224 632 D C -2.016 174.283 176.300 -0.001 0.000 1.093 632 D CA -2.096 51.900 54.000 -0.007 0.000 0.850 632 D CB 2.030 42.832 40.800 0.003 0.000 1.046 632 D HN 0.420 nan 8.370 nan 0.000 0.507 633 P HA -0.116 nan 4.420 nan 0.000 0.218 633 P C 1.238 178.538 177.300 -0.000 0.000 1.148 633 P CA 0.863 63.953 63.100 -0.015 0.000 0.822 633 P CB 0.214 31.900 31.700 -0.024 0.000 0.784 634 L N -4.387 116.839 121.223 0.005 0.000 2.357 634 L HA 0.269 4.609 4.340 -0.001 0.000 0.211 634 L C 1.931 178.808 176.870 0.012 0.000 1.075 634 L CA 1.440 56.285 54.840 0.008 0.000 0.830 634 L CB -1.717 40.345 42.059 0.006 0.000 0.996 634 L HN -0.280 nan 8.230 nan 0.000 0.467 635 S N -0.303 115.404 115.700 0.012 0.000 2.446 635 S HA -0.002 4.467 4.470 -0.001 0.000 0.225 635 S C 0.373 174.982 174.600 0.014 0.000 1.016 635 S CA 0.573 58.780 58.200 0.012 0.000 0.943 635 S CB -0.407 62.799 63.200 0.010 0.000 0.786 635 S HN 0.603 nan 8.310 nan 0.000 0.508 636 E N 1.335 121.546 120.200 0.019 0.000 2.416 636 E HA -0.149 4.201 4.350 -0.001 0.000 0.249 636 E C -0.319 176.286 176.600 0.009 0.000 1.124 636 E CA 0.622 57.039 56.400 0.028 0.000 0.732 636 E CB -2.099 27.621 29.700 0.034 0.000 1.286 636 E HN 0.630 nan 8.360 nan 0.000 0.394 637 T N -1.893 112.661 114.554 -0.001 0.000 2.885 637 T HA 0.715 5.064 4.350 -0.001 0.000 0.285 637 T C 0.006 174.682 174.700 -0.040 0.000 1.019 637 T CA -0.956 61.131 62.100 -0.022 0.000 1.010 637 T CB 1.719 70.580 68.868 -0.011 0.000 1.022 637 T HN 0.162 nan 8.240 nan 0.000 0.466 638 L N 3.211 124.385 121.223 -0.082 0.000 2.313 638 L HA 0.627 4.966 4.340 -0.001 0.000 0.283 638 L C 0.594 177.427 176.870 -0.062 0.000 1.013 638 L CA -0.853 53.924 54.840 -0.104 0.000 0.816 638 L CB 1.947 43.858 42.059 -0.248 0.000 1.236 638 L HN 1.025 nan 8.230 nan 0.000 0.419 639 T N -0.371 114.161 114.554 -0.037 0.000 2.885 639 T HA 0.476 4.825 4.350 -0.001 0.000 0.285 639 T C -0.345 174.345 174.700 -0.017 0.000 1.019 639 T CA -0.651 61.438 62.100 -0.019 0.000 1.010 639 T CB 1.966 70.834 68.868 -0.000 0.000 1.022 639 T HN 0.476 nan 8.240 nan 0.000 0.466 640 S N 2.542 118.234 115.700 -0.013 0.000 2.462 640 S HA 0.580 5.049 4.470 -0.001 0.000 0.294 640 S C -0.549 174.047 174.600 -0.008 0.000 1.144 640 S CA -0.879 57.314 58.200 -0.013 0.000 1.088 640 S CB -0.192 62.998 63.200 -0.016 0.000 1.009 640 S HN 0.622 nan 8.310 nan 0.000 0.484 641 I N 7.246 127.810 120.570 -0.009 0.000 2.313 641 I HA 0.340 4.509 4.170 -0.001 0.000 0.286 641 I C -1.961 174.145 176.117 -0.017 0.000 1.091 641 I CA -2.068 59.230 61.300 -0.003 0.000 1.216 641 I CB 1.164 39.166 38.000 0.004 0.000 1.434 641 I HN 0.493 nan 8.210 nan 0.000 0.487 642 P HA 0.180 nan 4.420 nan 0.000 0.271 642 P C -0.330 176.951 177.300 -0.032 0.000 1.218 642 P CA 0.015 63.089 63.100 -0.044 0.000 0.780 642 P CB 1.090 32.761 31.700 -0.049 0.000 0.901 643 I N 1.554 122.101 120.570 -0.039 0.000 2.353 643 I HA 0.106 4.275 4.170 -0.001 0.000 0.293 643 I C 1.247 177.364 176.117 0.000 0.000 0.992 643 I CA -0.656 60.648 61.300 0.007 0.000 1.268 643 I CB 1.159 39.211 38.000 0.088 0.000 1.387 643 I HN 0.357 nan 8.210 nan 0.000 0.478 644 S N 5.776 121.485 115.700 0.014 0.000 2.563 644 S HA 0.014 4.483 4.470 -0.001 0.000 0.284 644 S C 1.298 175.927 174.600 0.048 0.000 1.331 644 S CA -0.431 57.774 58.200 0.009 0.000 1.047 644 S CB 0.885 64.086 63.200 0.001 0.000 0.859 644 S HN 0.850 nan 8.310 nan 0.000 0.514 645 R N 2.640 123.153 120.500 0.022 0.000 2.139 645 R HA -0.201 4.138 4.340 -0.001 0.000 0.243 645 R C 2.119 178.461 176.300 0.071 0.000 1.145 645 R CA 1.796 57.927 56.100 0.051 0.000 0.976 645 R CB -0.275 30.027 30.300 0.003 0.000 0.866 645 R HN 0.837 nan 8.270 nan 0.000 0.449 646 R N 0.494 121.016 120.500 0.036 0.000 2.075 646 R HA -0.107 4.232 4.340 -0.001 0.000 0.230 646 R C 2.500 178.841 176.300 0.070 0.000 1.140 646 R CA 1.990 58.107 56.100 0.028 0.000 0.928 646 R CB -0.715 29.594 30.300 0.015 0.000 0.834 646 R HN 0.281 nan 8.270 nan 0.000 0.429 647 I N 0.112 120.720 120.570 0.063 0.000 2.264 647 I HA -0.295 3.874 4.170 -0.001 0.000 0.248 647 I C 2.488 178.702 176.117 0.162 0.000 1.111 647 I CA 1.257 62.595 61.300 0.063 0.000 1.382 647 I CB -0.509 37.501 38.000 0.016 0.000 1.060 647 I HN 0.401 nan 8.210 nan 0.000 0.418 648 W N 2.479 123.775 121.300 -0.007 0.000 2.354 648 W HA -0.207 4.452 4.660 -0.001 0.000 0.315 648 W C 2.235 178.763 176.519 0.016 0.000 1.206 648 W CA 1.842 59.200 57.345 0.022 0.000 1.290 648 W CB -0.026 29.447 29.460 0.021 0.000 1.152 648 W HN 0.178 nan 8.180 nan 0.000 0.489 649 E N -0.280 119.917 120.200 -0.006 0.000 2.086 649 E HA -0.162 4.187 4.350 -0.001 0.000 0.190 649 E C 1.601 178.112 176.600 -0.149 0.000 0.975 649 E CA 1.336 57.546 56.400 -0.316 0.000 0.813 649 E CB -0.190 29.077 29.700 -0.722 0.000 0.768 649 E HN 0.120 nan 8.360 nan 0.000 0.457 650 D N -0.567 119.811 120.400 -0.037 0.000 2.201 650 D HA 0.023 4.663 4.640 -0.001 0.000 0.209 650 D C 0.547 176.849 176.300 0.004 0.000 0.961 650 D CA 0.802 54.806 54.000 0.008 0.000 0.861 650 D CB 0.074 40.922 40.800 0.079 0.000 0.997 650 D HN 0.146 nan 8.370 nan 0.000 0.486 651 H N -0.065 118.983 119.070 -0.036 0.000 2.496 651 H HA 0.394 4.949 4.556 -0.001 0.000 0.342 651 H C -0.113 175.189 175.328 -0.043 0.000 1.170 651 H CA -0.437 55.595 56.048 -0.027 0.000 1.274 651 H CB 1.278 31.034 29.762 -0.011 0.000 1.538 651 H HN -0.140 nan 8.280 nan 0.000 0.542 652 S N 2.404 118.139 115.700 0.059 0.000 2.405 652 S HA 0.159 4.629 4.470 -0.001 0.000 0.291 652 S C 0.015 174.625 174.600 0.016 0.000 1.137 652 S CA -0.502 57.703 58.200 0.008 0.000 1.061 652 S CB -0.421 62.775 63.200 -0.006 0.000 1.001 652 S HN 0.304 nan 8.310 nan 0.000 0.507 653 L N 4.835 126.045 121.223 -0.022 0.000 2.319 653 L HA 0.806 5.146 4.340 -0.001 0.000 0.281 653 L C -0.900 175.955 176.870 -0.026 0.000 1.005 653 L CA -0.645 54.183 54.840 -0.019 0.000 0.828 653 L CB 1.381 43.439 42.059 -0.002 0.000 1.227 653 L HN 0.621 nan 8.230 nan 0.000 0.415 654 M N 6.647 126.247 119.600 0.000 0.000 2.073 654 M HA 0.409 4.889 4.480 -0.001 0.000 0.261 654 M C -1.782 174.540 176.300 0.036 0.000 0.928 654 M CA -0.231 55.094 55.300 0.042 0.000 1.006 654 M CB 1.329 33.970 32.600 0.068 0.000 1.893 654 M HN 0.551 nan 8.290 nan 0.000 0.440 655 L N 4.569 125.798 121.223 0.010 0.000 2.384 655 L HA 0.660 4.999 4.340 -0.001 0.000 0.258 655 L C -0.191 176.797 176.870 0.197 0.000 1.266 655 L CA -0.422 54.352 54.840 -0.110 0.000 1.162 655 L CB -0.678 41.187 42.059 -0.323 0.000 1.375 655 L HN 0.875 nan 8.230 nan 0.000 0.420 656 A N 1.061 124.055 122.820 0.289 0.000 2.509 656 A HA 0.603 4.922 4.320 -0.001 0.000 0.282 656 A C 0.502 178.050 177.584 -0.060 0.000 1.054 656 A CA 0.232 52.423 52.037 0.258 0.000 0.820 656 A CB 1.284 20.451 19.000 0.278 0.000 1.333 656 A HN 0.647 nan 8.150 nan 0.000 0.409 657 G N 1.083 109.580 108.800 -0.505 0.000 2.176 657 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.232 657 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.232 657 G C 0.188 174.765 174.900 -0.539 0.000 0.986 657 G CA 0.429 44.734 45.100 -1.325 0.000 0.643 657 G HN 2.054 nan 8.290 nan 0.000 0.522 658 F N 1.239 121.012 119.950 -0.295 0.000 2.352 658 F HA 0.853 5.379 4.527 -0.001 0.000 0.304 658 F C 0.444 176.206 175.800 -0.063 0.000 1.215 658 F CA -0.312 57.614 58.000 -0.124 0.000 1.121 658 F CB 0.719 39.677 39.000 -0.069 0.000 1.329 658 F HN 0.126 nan 8.300 nan 0.000 0.528 659 S N 0.036 115.787 115.700 0.085 0.000 2.607 659 S HA 0.633 5.102 4.470 -0.001 0.000 0.273 659 S C -1.229 173.488 174.600 0.194 0.000 1.148 659 S CA -0.917 57.286 58.200 0.004 0.000 0.833 659 S CB 1.799 65.061 63.200 0.103 0.000 1.130 659 S HN 0.611 nan 8.310 nan 0.000 0.470 660 L N 1.939 123.239 121.223 0.127 0.000 2.313 660 L HA 0.745 5.084 4.340 -0.001 0.000 0.283 660 L C -1.134 175.819 176.870 0.140 0.000 1.013 660 L CA -0.792 54.144 54.840 0.160 0.000 0.816 660 L CB 1.555 43.696 42.059 0.138 0.000 1.236 660 L HN 0.327 nan 8.230 nan 0.000 0.419 661 V N 1.660 121.670 119.914 0.160 0.000 2.823 661 V HA 0.545 4.665 4.120 -0.001 0.000 0.312 661 V C -0.383 175.806 176.094 0.158 0.000 1.072 661 V CA -0.514 61.870 62.300 0.140 0.000 0.937 661 V CB 2.240 34.130 31.823 0.111 0.000 1.013 661 V HN 0.784 nan 8.190 nan 0.000 0.430 662 S N 2.219 117.995 115.700 0.127 0.000 2.614 662 S HA 0.852 5.321 4.470 -0.001 0.000 0.288 662 S C -0.649 174.016 174.600 0.107 0.000 1.137 662 S CA -0.166 58.113 58.200 0.132 0.000 0.992 662 S CB 1.644 64.909 63.200 0.108 0.000 1.026 662 S HN 0.894 nan 8.310 nan 0.000 0.486 667 T N 1.765 116.389 114.554 0.117 0.000 2.971 667 T HA 0.595 4.945 4.350 -0.001 0.000 0.304 667 T C -0.987 173.763 174.700 0.083 0.000 1.038 667 T CA -0.418 61.733 62.100 0.085 0.000 1.007 667 T CB 2.035 70.958 68.868 0.091 0.000 1.055 667 T HN 0.088 nan 8.240 nan 0.000 0.451 668 I N 3.322 123.899 120.570 0.012 0.000 2.410 668 I HA 0.325 4.494 4.170 -0.001 0.000 0.286 668 I C 0.179 176.296 176.117 -0.000 0.000 1.009 668 I CA -0.724 60.608 61.300 0.054 0.000 1.111 668 I CB 1.117 39.133 38.000 0.027 0.000 1.262 668 I HN 0.646 nan 8.210 nan 0.000 0.443 669 H N 6.165 125.271 119.070 0.059 0.000 2.525 669 H HA 0.472 5.027 4.556 -0.001 0.000 0.339 669 H C -0.283 175.091 175.328 0.076 0.000 1.109 669 H CA -0.361 55.721 56.048 0.056 0.000 1.352 669 H CB 2.599 32.389 29.762 0.046 0.000 1.461 669 H HN 0.440 nan 8.280 nan 0.000 0.533 670 I N 5.804 126.464 120.570 0.150 0.000 2.310 670 I HA 0.176 4.346 4.170 -0.001 0.000 0.287 670 I C 0.472 176.674 176.117 0.141 0.000 1.073 670 I CA -0.144 61.241 61.300 0.142 0.000 1.216 670 I CB 0.060 38.063 38.000 0.005 0.000 1.415 670 I HN 0.316 nan 8.210 nan 0.000 0.480 671 I N 2.442 123.121 120.570 0.183 0.000 2.797 671 I HA 0.972 5.142 4.170 -0.001 0.000 0.307 671 I C 0.585 176.763 176.117 0.101 0.000 1.033 671 I CA -0.693 60.672 61.300 0.109 0.000 1.071 671 I CB 1.806 39.848 38.000 0.069 0.000 1.255 671 I HN 0.621 nan 8.210 nan 0.000 0.445 672 G N 1.859 110.661 108.800 0.004 0.000 2.901 672 G HA2 0.368 4.328 3.960 -0.001 0.000 0.654 672 G HA3 0.368 4.328 3.960 -0.001 0.000 0.654 672 G C 0.005 174.930 174.900 0.043 0.000 1.550 672 G CA -0.184 44.897 45.100 -0.032 0.000 0.978 672 G HN 2.518 nan 8.290 nan 0.000 0.566 673 G N -1.479 107.321 108.800 -0.000 0.000 2.453 673 G HA2 0.692 4.651 3.960 -0.001 0.000 0.665 673 G HA3 0.692 4.651 3.960 -0.001 0.000 0.665 673 G C 0.377 175.285 174.900 0.014 0.000 1.411 673 G CA 0.812 45.915 45.100 0.004 0.000 0.889 673 G HN 2.933 nan 8.290 nan 0.000 0.651 674 G N -1.054 107.763 108.800 0.028 0.000 2.430 674 G HA2 1.047 5.006 3.960 -0.001 0.000 0.300 674 G HA3 1.047 5.006 3.960 -0.001 0.000 0.300 674 G C -0.742 174.227 174.900 0.113 0.000 1.330 674 G CA 0.934 46.070 45.100 0.060 0.000 0.813 674 G HN 2.630 nan 8.290 nan 0.000 0.487 675 A N -1.189 121.695 122.820 0.107 0.000 2.582 675 A HA 0.734 5.053 4.320 -0.001 0.000 0.297 675 A C 0.397 178.033 177.584 0.088 0.000 1.059 675 A CA 0.730 52.851 52.037 0.141 0.000 0.705 675 A CB 1.095 20.217 19.000 0.203 0.000 1.279 675 A HN 2.147 nan 8.150 nan 0.000 0.404 676 T N -1.960 112.636 114.554 0.071 0.000 3.129 676 T HA 0.157 4.507 4.350 -0.001 0.000 0.251 676 T C 0.771 175.476 174.700 0.007 0.000 1.117 676 T CA 0.811 62.916 62.100 0.009 0.000 1.034 676 T CB -1.140 67.705 68.868 -0.039 0.000 0.968 676 T HN 1.730 nan 8.240 nan 0.000 0.526 677 C N 1.343 120.710 119.300 0.113 0.000 4.028 677 C HA -0.199 4.261 4.460 -0.001 0.000 0.300 677 C C 0.516 175.526 174.990 0.034 0.000 1.399 677 C CA 0.579 59.669 59.018 0.121 0.000 2.051 677 C CB -3.445 24.171 27.740 -0.208 0.000 1.318 677 C HN 0.934 nan 8.230 nan 0.000 0.696 678 Y N -1.668 118.583 120.300 -0.081 0.000 3.234 678 Y HA -0.152 4.397 4.550 -0.001 0.000 0.207 678 Y C 1.095 176.594 175.900 -0.669 0.000 1.316 678 Y CA 1.894 59.804 58.100 -0.316 0.000 1.309 678 Y CB -0.997 37.352 38.460 -0.184 0.000 1.408 678 Y HN 1.932 nan 8.280 nan 0.000 0.544 679 G N 0.383 108.914 108.800 -0.448 0.000 2.283 679 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.280 679 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.280 679 G C 0.357 174.966 174.900 -0.484 0.000 1.029 679 G CA 0.357 45.205 45.100 -0.420 0.000 0.840 679 G HN 0.772 nan 8.290 nan 0.000 0.505 680 F N 0.719 120.470 119.950 -0.331 0.000 2.647 680 F HA 0.450 4.976 4.527 -0.001 0.000 0.300 680 F C 1.581 177.199 175.800 -0.304 0.000 1.106 680 F CA -0.028 57.644 58.000 -0.548 0.000 1.313 680 F CB 0.629 39.374 39.000 -0.426 0.000 1.007 680 F HN 0.697 nan 8.300 nan 0.000 0.536 681 G N 0.488 109.238 108.800 -0.083 0.000 2.663 681 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.686 681 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.686 681 G C -0.775 174.096 174.900 -0.048 0.000 1.288 681 G CA -1.052 44.021 45.100 -0.045 0.000 0.836 681 G HN 0.075 nan 8.290 nan 0.000 0.584 682 S N -1.727 113.952 115.700 -0.035 0.000 2.687 682 S HA 0.820 5.289 4.470 -0.001 0.000 0.283 682 S C -0.082 174.508 174.600 -0.016 0.000 1.170 682 S CA 0.002 58.187 58.200 -0.025 0.000 1.008 682 S CB 1.880 65.063 63.200 -0.028 0.000 1.026 682 S HN 1.718 nan 8.310 nan 0.000 0.541 683 V N 1.042 120.955 119.914 -0.002 0.000 2.971 683 V HA 0.679 4.798 4.120 -0.001 0.000 0.309 683 V C -1.085 175.015 176.094 0.010 0.000 1.130 683 V CA -0.228 62.072 62.300 0.001 0.000 0.964 683 V CB 2.528 34.354 31.823 0.004 0.000 1.029 683 V HN 0.885 nan 8.190 nan 0.000 0.427 684 T N 5.012 119.569 114.554 0.004 0.000 2.841 684 T HA 0.345 4.694 4.350 -0.001 0.000 0.285 684 T C -0.353 174.353 174.700 0.010 0.000 0.991 684 T CA -0.329 61.775 62.100 0.006 0.000 0.966 684 T CB 0.806 69.672 68.868 -0.003 0.000 0.962 684 T HN 0.755 nan 8.240 nan 0.000 0.438 685 N N 3.237 121.945 118.700 0.014 0.000 2.427 685 N HA 0.037 4.776 4.740 -0.001 0.000 0.269 685 N C 1.219 176.739 175.510 0.016 0.000 1.235 685 N CA -0.155 52.903 53.050 0.013 0.000 0.934 685 N CB 0.813 39.308 38.487 0.014 0.000 1.121 685 N HN 0.276 nan 8.380 nan 0.000 0.480 686 V N 3.256 123.189 119.914 0.031 0.000 2.427 686 V HA 0.041 4.160 4.120 -0.001 0.000 0.248 686 V C 1.158 177.275 176.094 0.039 0.000 1.051 686 V CA 1.582 63.909 62.300 0.045 0.000 1.048 686 V CB -0.938 30.946 31.823 0.101 0.000 0.666 686 V HN 0.999 nan 8.190 nan 0.000 0.456 687 G N -0.881 107.939 108.800 0.033 0.000 2.453 687 G HA2 0.127 4.087 3.960 -0.001 0.000 0.665 687 G HA3 0.127 4.087 3.960 -0.001 0.000 0.665 687 G C -1.375 173.541 174.900 0.026 0.000 1.411 687 G CA -0.712 44.411 45.100 0.038 0.000 0.889 687 G HN 0.209 nan 8.290 nan 0.000 0.651 688 L N 0.199 121.436 121.223 0.023 0.000 2.341 688 L HA 0.875 5.215 4.340 -0.001 0.000 0.254 688 L C -0.067 176.784 176.870 -0.033 0.000 1.040 688 L CA -1.283 53.550 54.840 -0.012 0.000 0.837 688 L CB 2.862 44.899 42.059 -0.037 0.000 1.425 688 L HN 0.951 nan 8.230 nan 0.000 0.414 689 K N 0.686 121.026 120.400 -0.100 0.000 2.464 689 K HA 0.687 5.006 4.320 -0.001 0.000 0.253 689 K C -1.780 174.731 176.600 -0.148 0.000 0.933 689 K CA -0.789 55.347 56.287 -0.251 0.000 0.801 689 K CB 2.807 35.022 32.500 -0.475 0.000 1.271 689 K HN 0.383 nan 8.250 nan 0.000 0.430 690 L N 4.983 126.125 121.223 -0.135 0.000 2.277 690 L HA 0.457 4.796 4.340 -0.001 0.000 0.284 690 L C -0.632 176.258 176.870 0.033 0.000 1.028 690 L CA -0.548 54.275 54.840 -0.028 0.000 0.835 690 L CB 0.753 42.799 42.059 -0.022 0.000 1.215 690 L HN 0.750 nan 8.230 nan 0.000 0.425 691 I N 1.490 122.100 120.570 0.066 0.000 2.947 691 I HA 0.834 5.003 4.170 -0.001 0.000 0.314 691 I C 0.320 176.523 176.117 0.143 0.000 1.028 691 I CA -1.061 60.297 61.300 0.096 0.000 1.077 691 I CB 1.622 39.639 38.000 0.028 0.000 1.274 691 I HN 0.597 nan 8.210 nan 0.000 0.485 692 A N 3.563 126.408 122.820 0.042 0.000 2.386 692 A HA 0.444 4.763 4.320 -0.001 0.000 0.248 692 A C -0.247 177.215 177.584 -0.204 0.000 1.082 692 A CA -0.287 51.585 52.037 -0.274 0.000 0.789 692 A CB 0.267 19.124 19.000 -0.239 0.000 1.025 692 A HN 0.718 nan 8.150 nan 0.000 0.490 693 I N 1.485 121.886 120.570 -0.282 0.000 2.395 693 I HA 0.415 4.584 4.170 -0.001 0.000 0.289 693 I C 1.051 177.092 176.117 -0.126 0.000 1.023 693 I CA -0.097 61.109 61.300 -0.158 0.000 1.350 693 I CB 1.197 39.111 38.000 -0.142 0.000 1.409 693 I HN 0.866 nan 8.210 nan 0.000 0.507 694 A N 0.000 122.771 122.820 -0.082 0.000 2.254 694 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 694 A CA 0.000 51.998 52.037 -0.065 0.000 0.836 694 A CB 0.000 18.972 19.000 -0.047 0.000 0.831 694 A HN 0.000 nan 8.150 nan 0.000 0.486