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 2v0g_1_D DATA FIRST_RESID 1 DATA SEQUENCE MEKYNPHAIE AKWQRFWEEK GFMKAKDLPG GRGKQYVLVM FPYPSGDLHM DATA SEQUENCE GHLKNYTMGD VLARFRRMQG YEVLHPMGWD AFGLPAENAA LKFGVHPKDW DATA SEQUENCE TYANIRQAKE SLRLMGILYD WDREVTTCEP EYYRWNQWIF LKMWEKGLAY DATA SEQUENCE RAKGLVNWCP KCQTVLANEQ VVEGRCWRHE DTPVEKRELE QWYLRITAYA DATA SEQUENCE ERLLKDLEGL NWPEKVKAMQ RAWIGRSEGA EILFPVEGKE VRIPVFTTRP DATA SEQUENCE DTLFGATFLV LAPEHPLTLE LAAPEKREEV LAYVEAAKRK TEIERQAEGR DATA SEQUENCE EKTGVFLGAY ALNPATGERI PIWTADYVLF GYGTGAIMAV PAHDQRDYEF DATA SEQUENCE ARKFGLPIKK VIERPGEPLP EPLERAYEEP GIMVNSGPFD GTESEEGKRK DATA SEQUENCE VIAWLEEKGL GKGRVTYRLR DWLISRQRYW GTPIPMVHCE ACGVVPVPEE DATA SEQUENCE ELPVLLPDLK DVEDIRPKGK SPLEAHPEFY ETTCPKCGGP AKRDTDTMDT DATA SEQUENCE FFDSSWYYLR YTDPHNDRLP FDPEKANAWM PVDQYIGGVE HAVLHLLYSR DATA SEQUENCE FFTKFLHDLG MVKVEEPFQG LFTQGMVLAW TDFGPVEVEG SVVRLPEPTR DATA SEQUENCE IRLEIPESAL SLEDVRKMGA ELRPHEDGTL HLWKPAVMSK SKGNGVMVGP DATA SEQUENCE FVKEQGADIA RITILFAAPP ENEMVWTEEG VQGAWRFLNR IYRRVAEDRE DATA SEQUENCE ALLETSGVFQ AEALEGKDRE LYGKLHETLK KVTEDLEALR FNTAIAALME DATA SEQUENCE FLNALYEYRK DRPVTPVYRT AIRYYLQMLF PFAPHLAEEL WHWFWPDSLF DATA SEQUENCE EAGWPELDEK ALEKDVVEVA VQVNGRVRGT IHIPKDAPLE VARAEALKVR DATA SEQUENCE NVRAHLEGKE VVKEIYVPGK ILNLVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.348 176.300 0.081 0.000 1.140 1 M CA 0.000 55.340 55.300 0.067 0.000 0.988 1 M CB 0.000 32.658 32.600 0.097 0.000 1.302 2 E N 3.821 124.082 120.200 0.102 0.000 4.126 2 E HA 0.527 4.878 4.350 0.001 0.000 0.314 2 E C -0.949 175.718 176.600 0.113 0.000 1.438 2 E CA -0.720 55.742 56.400 0.103 0.000 1.682 2 E CB 1.132 30.895 29.700 0.105 0.000 1.454 2 E HN 0.593 nan 8.360 nan 0.000 0.810 3 K N -1.498 118.915 120.400 0.022 0.000 2.522 3 K HA 0.197 4.517 4.320 0.001 0.000 0.275 3 K C -1.833 174.454 176.600 -0.522 0.000 1.006 3 K CA -0.900 55.256 56.287 -0.218 0.000 0.890 3 K CB 1.517 33.986 32.500 -0.052 0.000 1.475 3 K HN 0.450 nan 8.250 nan 0.000 0.441 4 Y N 2.271 122.010 120.300 -0.934 0.000 2.480 4 Y HA 0.222 4.773 4.550 0.001 0.000 0.341 4 Y C -0.694 175.045 175.900 -0.267 0.000 1.031 4 Y CA -0.256 57.378 58.100 -0.776 0.000 1.295 4 Y CB 0.332 38.399 38.460 -0.655 0.000 1.162 4 Y HN 0.379 nan 8.280 nan 0.000 0.523 5 N N 9.033 127.485 118.700 -0.413 0.000 2.569 5 N HA 0.302 5.043 4.740 0.001 0.000 0.254 5 N C -2.364 172.824 175.510 -0.537 0.000 1.004 5 N CA -2.258 50.567 53.050 -0.375 0.000 0.904 5 N CB 1.806 40.252 38.487 -0.069 0.000 1.165 5 N HN 0.331 nan 8.380 nan 0.000 0.513 6 P HA -0.093 nan 4.420 nan 0.000 0.214 6 P C 0.621 177.715 177.300 -0.343 0.000 1.163 6 P CA 1.573 64.285 63.100 -0.647 0.000 0.883 6 P CB 0.206 31.468 31.700 -0.730 0.000 0.788 7 H N -0.414 118.582 119.070 -0.123 0.000 2.390 7 H HA -0.075 4.482 4.556 0.001 0.000 0.298 7 H C 1.968 177.266 175.328 -0.050 0.000 1.106 7 H CA 1.453 57.466 56.048 -0.059 0.000 1.297 7 H CB -0.895 28.843 29.762 -0.040 0.000 1.375 7 H HN 0.104 nan 8.280 nan 0.000 0.509 8 A N 0.885 123.733 122.820 0.047 0.000 1.930 8 A HA -0.062 4.258 4.320 0.001 0.000 0.217 8 A C 2.290 179.865 177.584 -0.016 0.000 1.175 8 A CA 1.684 53.732 52.037 0.019 0.000 0.627 8 A CB -0.462 18.554 19.000 0.027 0.000 0.815 8 A HN 0.623 nan 8.150 nan 0.000 0.443 9 I N -5.003 115.562 120.570 -0.007 0.000 3.883 9 I HA 0.229 4.399 4.170 0.001 0.000 0.305 9 I C 1.508 177.655 176.117 0.052 0.000 1.247 9 I CA 0.564 61.861 61.300 -0.005 0.000 1.350 9 I CB -0.093 37.998 38.000 0.151 0.000 1.194 9 I HN 0.090 nan 8.210 nan 0.000 0.441 10 E N 2.009 122.242 120.200 0.055 0.000 2.409 10 E HA -0.023 4.328 4.350 0.001 0.000 0.198 10 E C 2.031 178.709 176.600 0.130 0.000 1.024 10 E CA 0.994 57.419 56.400 0.041 0.000 0.861 10 E CB 0.134 29.691 29.700 -0.238 0.000 0.788 10 E HN 0.720 nan 8.360 nan 0.000 0.521 11 A N 1.038 123.900 122.820 0.070 0.000 2.115 11 A HA -0.013 4.308 4.320 0.001 0.000 0.211 11 A C 1.934 179.527 177.584 0.015 0.000 1.169 11 A CA 0.214 52.299 52.037 0.080 0.000 0.787 11 A CB 0.038 19.070 19.000 0.053 0.000 0.858 11 A HN 0.012 nan 8.150 nan 0.000 0.474 12 K N -0.531 119.802 120.400 -0.113 0.000 1.985 12 K HA -0.203 4.117 4.320 0.001 0.000 0.210 12 K C 1.734 178.143 176.600 -0.318 0.000 1.047 12 K CA 1.948 58.046 56.287 -0.314 0.000 0.932 12 K CB -0.347 31.783 32.500 -0.617 0.000 0.716 12 K HN 0.623 nan 8.250 nan 0.000 0.439 13 W N 1.431 122.593 121.300 -0.229 0.000 2.436 13 W HA -0.063 4.598 4.660 0.001 0.000 0.284 13 W C 2.461 178.556 176.519 -0.707 0.000 1.225 13 W CA 0.296 57.257 57.345 -0.639 0.000 1.271 13 W CB -0.033 28.800 29.460 -1.045 0.000 1.114 13 W HN 0.296 nan 8.180 nan 0.000 0.559 14 Q N 0.540 120.337 119.800 -0.005 0.000 2.029 14 Q HA -0.250 4.090 4.340 0.001 0.000 0.209 14 Q C 2.151 178.344 176.000 0.322 0.000 0.999 14 Q CA 1.876 57.897 55.803 0.363 0.000 0.857 14 Q CB -0.455 28.511 28.738 0.380 0.000 0.926 14 Q HN 0.311 nan 8.270 nan 0.000 0.415 15 R N -0.680 119.937 120.500 0.195 0.000 2.237 15 R HA -0.099 4.241 4.340 0.001 0.000 0.219 15 R C 1.939 178.366 176.300 0.212 0.000 1.080 15 R CA 0.801 57.002 56.100 0.170 0.000 0.995 15 R CB -0.139 30.218 30.300 0.096 0.000 0.875 15 R HN 0.256 nan 8.270 nan 0.000 0.462 16 F N -0.413 119.589 119.950 0.086 0.000 2.335 16 F HA -0.084 4.443 4.527 0.001 0.000 0.296 16 F C 1.383 177.410 175.800 0.378 0.000 1.091 16 F CA 0.724 58.825 58.000 0.169 0.000 1.399 16 F CB 0.095 39.196 39.000 0.168 0.000 1.067 16 F HN -0.014 nan 8.300 nan 0.000 0.520 17 W N 0.821 122.414 121.300 0.488 0.000 2.595 17 W HA -0.035 4.626 4.660 0.001 0.000 0.257 17 W C 2.088 178.731 176.519 0.207 0.000 1.267 17 W CA 1.101 58.734 57.345 0.480 0.000 1.300 17 W CB -0.852 28.934 29.460 0.543 0.000 1.120 17 W HN 0.212 nan 8.180 nan 0.000 0.618 18 E N 0.307 120.696 120.200 0.315 0.000 2.307 18 E HA -0.062 4.289 4.350 0.001 0.000 0.195 18 E C 1.690 178.304 176.600 0.024 0.000 0.975 18 E CA 0.953 57.457 56.400 0.173 0.000 0.878 18 E CB 0.045 29.855 29.700 0.182 0.000 0.845 18 E HN 0.164 nan 8.360 nan 0.000 0.488 19 E N 0.201 120.378 120.200 -0.038 0.000 2.016 19 E HA -0.067 4.284 4.350 0.001 0.000 0.190 19 E C 1.631 178.088 176.600 -0.239 0.000 0.985 19 E CA 0.803 57.139 56.400 -0.107 0.000 0.802 19 E CB 0.059 29.707 29.700 -0.086 0.000 0.762 19 E HN -0.006 nan 8.360 nan 0.000 0.448 20 K N 0.033 120.152 120.400 -0.468 0.000 2.439 20 K HA -0.006 4.314 4.320 0.001 0.000 0.197 20 K C 0.525 176.629 176.600 -0.826 0.000 1.041 20 K CA 0.685 56.548 56.287 -0.708 0.000 0.970 20 K CB 0.114 31.970 32.500 -1.074 0.000 0.773 20 K HN 0.295 nan 8.250 nan 0.000 0.479 21 G N 2.006 110.454 108.800 -0.587 0.000 2.381 21 G HA2 -0.241 3.719 3.960 0.001 0.000 0.281 21 G HA3 -0.241 3.719 3.960 0.001 0.000 0.281 21 G C 0.282 174.920 174.900 -0.436 0.000 0.984 21 G CA -0.031 44.853 45.100 -0.359 0.000 1.339 21 G HN 0.164 nan 8.290 nan 0.000 0.485 22 F N 0.426 120.254 119.950 -0.204 0.000 2.188 22 F HA 0.260 4.788 4.527 0.001 0.000 0.289 22 F C 2.498 178.095 175.800 -0.338 0.000 1.082 22 F CA 0.831 58.600 58.000 -0.386 0.000 1.282 22 F CB -0.160 38.301 39.000 -0.898 0.000 1.060 22 F HN 0.302 nan 8.300 nan 0.000 0.493 23 M N 1.182 120.712 119.600 -0.116 0.000 2.752 23 M HA 0.072 4.553 4.480 0.001 0.000 0.216 23 M C -0.028 176.214 176.300 -0.096 0.000 1.261 23 M CA 0.128 55.357 55.300 -0.119 0.000 1.020 23 M CB -1.482 31.046 32.600 -0.121 0.000 1.686 23 M HN -0.118 nan 8.290 nan 0.000 0.447 24 K N 1.767 122.122 120.400 -0.076 0.000 2.349 24 K HA 0.383 4.703 4.320 0.001 0.000 0.288 24 K C -0.280 176.285 176.600 -0.057 0.000 1.058 24 K CA 0.032 56.280 56.287 -0.065 0.000 0.953 24 K CB 0.609 33.081 32.500 -0.046 0.000 0.997 24 K HN 0.292 nan 8.250 nan 0.000 0.477 25 A N 5.392 128.145 122.820 -0.112 0.000 2.310 25 A HA 0.160 4.480 4.320 0.001 0.000 0.300 25 A C -0.264 177.345 177.584 0.042 0.000 1.269 25 A CA -0.490 51.478 52.037 -0.115 0.000 0.909 25 A CB 0.025 18.729 19.000 -0.493 0.000 1.144 25 A HN 0.836 nan 8.150 nan 0.000 0.540 26 K N 2.514 123.046 120.400 0.220 0.000 2.530 26 K HA -0.086 4.234 4.320 0.001 0.000 0.280 26 K C 0.001 176.802 176.600 0.334 0.000 1.004 26 K CA 0.095 56.524 56.287 0.237 0.000 1.071 26 K CB 0.324 32.958 32.500 0.223 0.000 0.876 26 K HN 0.740 nan 8.250 nan 0.000 0.487 27 D N 2.857 123.383 120.400 0.210 0.000 2.116 27 D HA -0.149 4.491 4.640 0.001 0.000 0.193 27 D C 0.586 177.090 176.300 0.341 0.000 0.998 27 D CA 1.356 55.481 54.000 0.208 0.000 0.836 27 D CB 0.112 40.988 40.800 0.126 0.000 0.951 27 D HN 0.413 nan 8.370 nan 0.000 0.449 28 L N 0.990 122.366 121.223 0.255 0.000 2.334 28 L HA 0.356 4.697 4.340 0.001 0.000 0.273 28 L C -2.368 174.551 176.870 0.082 0.000 1.013 28 L CA -1.904 53.048 54.840 0.187 0.000 0.816 28 L CB 2.382 44.482 42.059 0.068 0.000 1.278 28 L HN -0.169 nan 8.230 nan 0.000 0.431 29 P HA 0.227 nan 4.420 nan 0.000 0.290 29 P C -0.254 176.920 177.300 -0.209 0.000 1.276 29 P CA -0.221 62.681 63.100 -0.331 0.000 0.808 29 P CB 1.709 32.830 31.700 -0.964 0.000 0.966 30 G N 1.479 110.207 108.800 -0.120 0.000 2.514 30 G HA2 0.327 4.288 3.960 0.001 0.000 0.245 30 G HA3 0.327 4.288 3.960 0.001 0.000 0.245 30 G C 1.128 175.973 174.900 -0.092 0.000 1.488 30 G CA -0.037 45.017 45.100 -0.078 0.000 1.063 30 G HN 0.492 nan 8.290 nan 0.000 0.557 31 G N -1.174 107.594 108.800 -0.054 0.000 2.880 31 G HA2 0.023 3.983 3.960 0.001 0.000 0.209 31 G HA3 0.023 3.983 3.960 0.001 0.000 0.209 31 G C 1.676 176.559 174.900 -0.027 0.000 1.157 31 G CA 0.305 45.377 45.100 -0.047 0.000 0.779 31 G HN 0.430 nan 8.290 nan 0.000 0.539 32 R N 0.584 121.079 120.500 -0.010 0.000 2.193 32 R HA 0.247 4.587 4.340 0.001 0.000 0.229 32 R C 1.186 177.542 176.300 0.094 0.000 1.110 32 R CA 0.919 57.040 56.100 0.034 0.000 0.988 32 R CB -0.436 29.886 30.300 0.036 0.000 0.871 32 R HN 0.518 nan 8.270 nan 0.000 0.458 33 G N -0.845 107.959 108.800 0.006 0.000 2.408 33 G HA2 0.106 4.067 3.960 0.001 0.000 0.682 33 G HA3 0.106 4.067 3.960 0.001 0.000 0.682 33 G C -1.842 172.966 174.900 -0.154 0.000 1.303 33 G CA -0.499 44.551 45.100 -0.082 0.000 0.966 33 G HN 0.401 nan 8.290 nan 0.000 0.560 34 K N -0.955 119.264 120.400 -0.302 0.000 2.557 34 K HA 0.764 5.085 4.320 0.001 0.000 0.261 34 K C -1.150 175.333 176.600 -0.196 0.000 0.932 34 K CA -0.933 55.209 56.287 -0.241 0.000 0.829 34 K CB 2.032 34.245 32.500 -0.478 0.000 1.358 34 K HN 0.551 nan 8.250 nan 0.000 0.430 35 Q N 2.159 121.968 119.800 0.014 0.000 2.337 35 Q HA 0.264 4.605 4.340 0.001 0.000 0.270 35 Q C -1.585 174.581 176.000 0.276 0.000 1.043 35 Q CA -0.551 55.293 55.803 0.069 0.000 0.794 35 Q CB 1.920 30.675 28.738 0.027 0.000 1.281 35 Q HN 0.794 nan 8.270 nan 0.000 0.446 36 Y N 2.366 122.760 120.300 0.156 0.000 2.593 36 Y HA 0.369 4.919 4.550 0.001 0.000 0.331 36 Y C -0.818 175.152 175.900 0.116 0.000 0.986 36 Y CA -0.630 57.578 58.100 0.179 0.000 1.262 36 Y CB 0.699 39.281 38.460 0.203 0.000 1.098 36 Y HN 0.309 nan 8.280 nan 0.000 0.506 37 V N 7.864 127.755 119.914 -0.039 0.000 2.364 37 V HA 0.300 4.421 4.120 0.001 0.000 0.272 37 V C -0.743 175.343 176.094 -0.012 0.000 1.036 37 V CA -0.655 61.661 62.300 0.026 0.000 0.880 37 V CB 0.985 32.811 31.823 0.005 0.000 0.991 37 V HN 0.570 nan 8.190 nan 0.000 0.460 38 L N 7.620 128.904 121.223 0.103 0.000 2.404 38 L HA 0.661 5.002 4.340 0.001 0.000 0.272 38 L C -0.224 176.730 176.870 0.139 0.000 0.980 38 L CA -0.333 54.577 54.840 0.116 0.000 0.836 38 L CB 1.992 44.220 42.059 0.282 0.000 1.238 38 L HN 0.560 nan 8.230 nan 0.000 0.408 39 V N 2.469 122.437 119.914 0.090 0.000 2.732 39 V HA 0.486 4.606 4.120 0.001 0.000 0.297 39 V C 0.719 176.816 176.094 0.005 0.000 1.060 39 V CA -0.775 61.517 62.300 -0.013 0.000 1.038 39 V CB 1.115 32.983 31.823 0.074 0.000 1.003 39 V HN 0.853 nan 8.190 nan 0.000 0.481 40 M N 5.294 124.786 119.600 -0.179 0.000 2.269 40 M HA 0.260 4.741 4.480 0.001 0.000 0.350 40 M C -0.130 176.239 176.300 0.114 0.000 1.429 40 M CA 0.020 55.292 55.300 -0.048 0.000 1.063 40 M CB 0.185 32.603 32.600 -0.303 0.000 1.841 40 M HN 0.850 nan 8.290 nan 0.000 0.455 41 F N 5.160 125.032 119.950 -0.130 0.000 2.459 41 F HA 0.704 5.232 4.527 0.001 0.000 0.346 41 F C -2.766 172.808 175.800 -0.376 0.000 1.128 41 F CA -3.177 54.630 58.000 -0.322 0.000 1.268 41 F CB -0.955 37.732 39.000 -0.522 0.000 1.161 41 F HN 0.288 nan 8.300 nan 0.000 0.583 42 P HA 0.288 nan 4.420 nan 0.000 0.283 42 P C -1.677 175.341 177.300 -0.470 0.000 1.278 42 P CA -0.506 62.394 63.100 -0.333 0.000 0.834 42 P CB 0.655 32.337 31.700 -0.030 0.000 1.150 43 Y N 0.185 120.377 120.300 -0.179 0.000 2.402 43 Y HA 0.257 4.807 4.550 0.001 0.000 0.333 43 Y C -1.646 174.222 175.900 -0.055 0.000 1.076 43 Y CA -2.166 55.860 58.100 -0.124 0.000 1.299 43 Y CB -0.752 37.679 38.460 -0.049 0.000 1.197 43 Y HN 0.190 nan 8.280 nan 0.000 0.517 44 P HA 0.125 nan 4.420 nan 0.000 0.274 44 P C -0.669 176.763 177.300 0.219 0.000 1.291 44 P CA -0.065 63.092 63.100 0.095 0.000 0.815 44 P CB 0.432 32.150 31.700 0.030 0.000 0.897 45 S N 2.352 118.179 115.700 0.212 0.000 2.680 45 S HA 0.579 5.049 4.470 0.001 0.000 0.140 45 S C 0.130 174.911 174.600 0.301 0.000 1.357 45 S CA -0.208 58.174 58.200 0.303 0.000 1.201 45 S CB -0.418 62.879 63.200 0.163 0.000 1.547 45 S HN 0.760 nan 8.310 nan 0.000 0.411 46 G N 1.735 110.747 108.800 0.353 0.000 2.787 46 G HA2 -0.011 3.950 3.960 0.001 0.000 0.685 46 G HA3 -0.011 3.950 3.960 0.001 0.000 0.685 46 G C -0.680 174.245 174.900 0.040 0.000 1.437 46 G CA -0.245 44.969 45.100 0.190 0.000 0.872 46 G HN 0.807 nan 8.290 nan 0.000 0.566 47 D N -0.812 119.589 120.400 0.001 0.000 2.360 47 D HA 0.473 5.113 4.640 0.001 0.000 0.242 47 D C 1.284 177.636 176.300 0.086 0.000 1.184 47 D CA -0.170 53.821 54.000 -0.016 0.000 0.930 47 D CB 0.424 41.202 40.800 -0.037 0.000 1.161 47 D HN 0.533 nan 8.370 nan 0.000 0.447 48 L N 1.618 122.875 121.223 0.055 0.000 2.421 48 L HA 0.402 4.743 4.340 0.001 0.000 0.263 48 L C 0.070 177.018 176.870 0.131 0.000 1.122 48 L CA -0.617 54.287 54.840 0.106 0.000 0.804 48 L CB 0.914 43.019 42.059 0.078 0.000 1.150 48 L HN 0.628 nan 8.230 nan 0.000 0.457 49 H N -1.317 117.854 119.070 0.169 0.000 2.908 49 H HA 0.406 4.963 4.556 0.001 0.000 0.350 49 H C 0.444 175.690 175.328 -0.137 0.000 1.217 49 H CA -1.040 54.987 56.048 -0.036 0.000 1.168 49 H CB 0.626 30.325 29.762 -0.105 0.000 1.891 49 H HN 0.301 nan 8.280 nan 0.000 0.566 50 M N 0.613 120.110 119.600 -0.170 0.000 2.192 50 M HA -0.171 4.310 4.480 0.001 0.000 0.256 50 M C 2.168 178.284 176.300 -0.307 0.000 1.076 50 M CA 1.876 56.938 55.300 -0.398 0.000 1.075 50 M CB -1.463 30.547 32.600 -0.984 0.000 1.368 50 M HN 1.004 nan 8.290 nan 0.000 0.406 51 G N -0.150 108.528 108.800 -0.204 0.000 2.545 51 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 51 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 51 G C 1.163 175.881 174.900 -0.305 0.000 1.218 51 G CA 1.472 46.428 45.100 -0.240 0.000 0.787 51 G HN 0.591 nan 8.290 nan 0.000 0.571 52 H N -0.115 118.827 119.070 -0.215 0.000 2.457 52 H HA 0.152 4.709 4.556 0.001 0.000 0.294 52 H C 2.469 177.762 175.328 -0.059 0.000 1.064 52 H CA 0.368 56.331 56.048 -0.143 0.000 1.330 52 H CB 0.020 29.757 29.762 -0.042 0.000 1.395 52 H HN 0.133 nan 8.280 nan 0.000 0.541 53 L N 1.095 122.383 121.223 0.108 0.000 2.191 53 L HA -0.163 4.177 4.340 0.001 0.000 0.212 53 L C 2.364 179.263 176.870 0.050 0.000 1.103 53 L CA 1.317 56.267 54.840 0.183 0.000 0.769 53 L CB -0.655 41.452 42.059 0.079 0.000 0.908 53 L HN 0.356 nan 8.230 nan 0.000 0.438 54 K N 0.862 121.228 120.400 -0.055 0.000 2.001 54 K HA -0.237 4.083 4.320 0.001 0.000 0.214 54 K C 1.726 178.255 176.600 -0.119 0.000 1.050 54 K CA 2.072 58.314 56.287 -0.074 0.000 0.934 54 K CB -0.051 32.404 32.500 -0.075 0.000 0.718 54 K HN 0.459 nan 8.250 nan 0.000 0.443 55 N N -0.679 117.887 118.700 -0.222 0.000 2.007 55 N HA -0.228 4.512 4.740 0.001 0.000 0.197 55 N C 2.009 177.366 175.510 -0.255 0.000 1.050 55 N CA 2.159 55.012 53.050 -0.329 0.000 0.856 55 N CB -0.456 37.670 38.487 -0.602 0.000 1.050 55 N HN 0.275 nan 8.380 nan 0.000 0.423 56 Y N 1.131 121.447 120.300 0.027 0.000 2.207 56 Y HA -0.145 4.405 4.550 0.001 0.000 0.287 56 Y C 2.885 178.800 175.900 0.025 0.000 1.156 56 Y CA 0.915 59.072 58.100 0.094 0.000 1.182 56 Y CB -0.821 37.739 38.460 0.166 0.000 0.979 56 Y HN 0.082 nan 8.280 nan 0.000 0.521 57 T N 0.229 114.837 114.554 0.090 0.000 2.788 57 T HA -0.182 4.168 4.350 0.001 0.000 0.268 57 T C 1.924 176.484 174.700 -0.233 0.000 1.044 57 T CA 1.330 63.402 62.100 -0.047 0.000 1.139 57 T CB -0.205 68.643 68.868 -0.033 0.000 0.867 57 T HN 0.210 nan 8.240 nan 0.000 0.454 58 M N 1.018 120.460 119.600 -0.264 0.000 2.059 58 M HA -0.016 4.464 4.480 0.001 0.000 0.259 58 M C 2.820 178.918 176.300 -0.336 0.000 1.072 58 M CA 1.843 56.859 55.300 -0.473 0.000 1.117 58 M CB -1.782 30.695 32.600 -0.205 0.000 1.320 58 M HN 0.388 nan 8.290 nan 0.000 0.408 59 G N 0.256 108.978 108.800 -0.130 0.000 2.545 59 G HA2 -0.329 3.632 3.960 0.001 0.000 0.217 59 G HA3 -0.329 3.632 3.960 0.001 0.000 0.217 59 G C 1.112 175.767 174.900 -0.408 0.000 1.218 59 G CA 1.754 46.784 45.100 -0.117 0.000 0.787 59 G HN 0.515 nan 8.290 nan 0.000 0.571 60 D N -0.403 119.738 120.400 -0.432 0.000 2.192 60 D HA -0.190 4.450 4.640 0.001 0.000 0.189 60 D C 2.561 178.552 176.300 -0.515 0.000 1.007 60 D CA 1.905 55.554 54.000 -0.585 0.000 0.859 60 D CB -0.232 40.388 40.800 -0.300 0.000 0.936 60 D HN 0.164 nan 8.370 nan 0.000 0.447 61 V N 0.098 119.749 119.914 -0.439 0.000 2.295 61 V HA -0.202 3.919 4.120 0.001 0.000 0.246 61 V C 2.580 178.491 176.094 -0.306 0.000 1.049 61 V CA 1.472 63.505 62.300 -0.445 0.000 1.024 61 V CB -0.561 30.941 31.823 -0.535 0.000 0.648 61 V HN 0.338 nan 8.190 nan 0.000 0.447 62 L N -0.009 121.112 121.223 -0.170 0.000 1.971 62 L HA -0.243 4.097 4.340 0.001 0.000 0.215 62 L C 2.699 179.505 176.870 -0.107 0.000 1.072 62 L CA 1.993 56.809 54.840 -0.039 0.000 0.758 62 L CB -0.653 41.416 42.059 0.017 0.000 0.889 62 L HN 0.357 nan 8.230 nan 0.000 0.433 63 A N -0.121 122.533 122.820 -0.276 0.000 1.903 63 A HA -0.320 4.000 4.320 0.001 0.000 0.219 63 A C 2.250 179.729 177.584 -0.176 0.000 1.191 63 A CA 2.377 54.240 52.037 -0.290 0.000 0.638 63 A CB -0.671 17.970 19.000 -0.598 0.000 0.823 63 A HN 0.466 nan 8.150 nan 0.000 0.451 64 R N -2.092 118.274 120.500 -0.225 0.000 2.075 64 R HA -0.049 4.292 4.340 0.001 0.000 0.232 64 R C 2.030 178.257 176.300 -0.121 0.000 1.126 64 R CA 1.440 57.444 56.100 -0.159 0.000 0.963 64 R CB -0.532 29.448 30.300 -0.532 0.000 0.858 64 R HN 0.622 nan 8.270 nan 0.000 0.435 65 F N 1.925 121.676 119.950 -0.332 0.000 2.069 65 F HA -0.194 4.333 4.527 0.001 0.000 0.298 65 F C 2.073 177.640 175.800 -0.387 0.000 1.113 65 F CA 1.522 59.255 58.000 -0.446 0.000 1.214 65 F CB 0.029 38.680 39.000 -0.582 0.000 0.978 65 F HN -0.205 nan 8.300 nan 0.000 0.474 66 R N 0.326 120.547 120.500 -0.466 0.000 2.092 66 R HA -0.106 4.235 4.340 0.001 0.000 0.231 66 R C 2.285 178.418 176.300 -0.278 0.000 1.119 66 R CA 1.189 57.033 56.100 -0.426 0.000 0.970 66 R CB -0.969 29.312 30.300 -0.031 0.000 0.864 66 R HN 0.231 nan 8.270 nan 0.000 0.440 67 R N 1.023 121.446 120.500 -0.128 0.000 2.092 67 R HA 0.088 4.428 4.340 0.001 0.000 0.231 67 R C 2.211 178.489 176.300 -0.036 0.000 1.119 67 R CA 1.346 57.438 56.100 -0.013 0.000 0.970 67 R CB -0.520 29.851 30.300 0.119 0.000 0.864 67 R HN 0.156 nan 8.270 nan 0.000 0.440 68 M N 0.049 119.604 119.600 -0.075 0.000 2.144 68 M HA -0.252 4.229 4.480 0.001 0.000 0.260 68 M C 2.192 178.381 176.300 -0.185 0.000 1.067 68 M CA 1.891 57.138 55.300 -0.088 0.000 1.095 68 M CB -0.280 32.325 32.600 0.008 0.000 1.365 68 M HN 0.261 nan 8.290 nan 0.000 0.406 69 Q N -0.959 118.589 119.800 -0.421 0.000 2.084 69 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 69 Q C 1.644 177.394 176.000 -0.417 0.000 0.978 69 Q CA 1.456 56.942 55.803 -0.528 0.000 0.844 69 Q CB 0.078 28.232 28.738 -0.973 0.000 0.898 69 Q HN 0.773 nan 8.270 nan 0.000 0.426 70 G N -1.902 106.689 108.800 -0.348 0.000 2.624 70 G HA2 -0.168 3.793 3.960 0.001 0.000 0.190 70 G HA3 -0.168 3.793 3.960 0.001 0.000 0.190 70 G C -0.439 174.403 174.900 -0.096 0.000 1.008 70 G CA -0.470 44.509 45.100 -0.201 0.000 0.731 70 G HN 0.114 nan 8.290 nan 0.000 0.478 71 Y N 1.501 121.740 120.300 -0.102 0.000 2.652 71 Y HA 0.439 4.989 4.550 0.001 0.000 0.344 71 Y C 0.968 176.856 175.900 -0.021 0.000 1.254 71 Y CA -0.369 57.684 58.100 -0.077 0.000 1.480 71 Y CB 0.336 38.735 38.460 -0.101 0.000 1.345 71 Y HN 0.190 nan 8.280 nan 0.000 0.617 72 E N 1.339 121.651 120.200 0.186 0.000 2.105 72 E HA 0.365 4.715 4.350 0.001 0.000 0.285 72 E C -1.239 175.581 176.600 0.366 0.000 1.055 72 E CA -0.195 56.334 56.400 0.214 0.000 0.843 72 E CB 0.366 30.155 29.700 0.148 0.000 1.067 72 E HN 0.353 nan 8.360 nan 0.000 0.398 73 V N 4.990 125.071 119.914 0.278 0.000 2.481 73 V HA 0.297 4.418 4.120 0.001 0.000 0.286 73 V C -0.616 175.516 176.094 0.063 0.000 1.042 73 V CA -0.855 61.562 62.300 0.196 0.000 0.928 73 V CB 1.426 33.282 31.823 0.056 0.000 0.986 73 V HN 0.478 nan 8.190 nan 0.000 0.462 74 L N 5.023 126.201 121.223 -0.074 0.000 2.353 74 L HA 0.473 4.814 4.340 0.001 0.000 0.270 74 L C -0.581 176.044 176.870 -0.408 0.000 1.003 74 L CA -0.085 54.478 54.840 -0.462 0.000 0.862 74 L CB 0.786 42.275 42.059 -0.951 0.000 1.221 74 L HN 0.775 nan 8.230 nan 0.000 0.430 75 H N 6.637 125.444 119.070 -0.438 0.000 2.632 75 H HA 0.515 5.071 4.556 0.001 0.000 0.258 75 H C -2.715 172.399 175.328 -0.357 0.000 1.278 75 H CA -2.007 53.813 56.048 -0.379 0.000 1.352 75 H CB 1.364 30.921 29.762 -0.342 0.000 1.418 75 H HN 0.485 nan 8.280 nan 0.000 0.513 76 P HA 0.292 nan 4.420 nan 0.000 0.283 76 P C -0.820 175.738 177.300 -1.238 0.000 1.278 76 P CA -1.032 61.405 63.100 -1.106 0.000 0.834 76 P CB 2.095 32.730 31.700 -1.775 0.000 1.150 77 M N 0.408 119.191 119.600 -1.362 0.000 2.325 77 M HA 0.658 5.139 4.480 0.001 0.000 0.285 77 M C -1.119 174.659 176.300 -0.870 0.000 1.119 77 M CA 0.003 54.544 55.300 -1.265 0.000 0.959 77 M CB 1.404 32.672 32.600 -2.220 0.000 1.737 77 M HN 0.594 nan 8.290 nan 0.000 0.486 78 G N 2.091 110.523 108.800 -0.614 0.000 3.166 78 G HA2 0.819 4.780 3.960 0.001 0.000 0.267 78 G HA3 0.819 4.780 3.960 0.001 0.000 0.267 78 G C -2.217 171.948 174.900 -1.224 0.000 1.256 78 G CA -0.627 44.062 45.100 -0.685 0.000 0.859 78 G HN 0.707 nan 8.290 nan 0.000 0.590 79 W N -0.316 120.951 121.300 -0.055 0.000 2.968 79 W HA 0.421 5.082 4.660 0.001 0.000 0.337 79 W C -1.163 174.940 176.519 -0.694 0.000 1.060 79 W CA -0.707 56.387 57.345 -0.418 0.000 1.240 79 W CB 1.958 31.269 29.460 -0.249 0.000 1.370 79 W HN 0.394 nan 8.180 nan 0.000 0.459 80 D N 2.353 122.125 120.400 -1.047 0.000 2.801 80 D HA 0.252 4.892 4.640 0.001 0.000 0.232 80 D C 1.333 177.549 176.300 -0.139 0.000 1.128 80 D CA 0.343 53.813 54.000 -0.884 0.000 1.003 80 D CB 0.328 40.415 40.800 -1.189 0.000 1.110 80 D HN 0.414 nan 8.370 nan 0.000 0.477 81 A N 1.984 124.791 122.820 -0.022 0.000 1.873 81 A HA -0.088 4.233 4.320 0.001 0.000 0.215 81 A C 0.992 178.762 177.584 0.310 0.000 1.186 81 A CA 0.574 52.701 52.037 0.149 0.000 0.616 81 A CB -0.438 18.639 19.000 0.129 0.000 0.823 81 A HN 0.373 nan 8.150 nan 0.000 0.442 82 F N -0.774 119.238 119.950 0.104 0.000 2.485 82 F HA 0.432 4.960 4.527 0.001 0.000 0.327 82 F C 1.386 177.223 175.800 0.063 0.000 1.203 82 F CA 0.702 58.636 58.000 -0.110 0.000 1.295 82 F CB 0.096 38.899 39.000 -0.329 0.000 1.191 82 F HN 0.719 nan 8.300 nan 0.000 0.588 83 G N 1.466 110.515 108.800 0.416 0.000 2.548 83 G HA2 -0.187 3.774 3.960 0.001 0.000 0.208 83 G HA3 -0.187 3.774 3.960 0.001 0.000 0.208 83 G C 0.399 175.463 174.900 0.274 0.000 1.308 83 G CA -0.342 44.913 45.100 0.257 0.000 0.924 83 G HN 0.633 nan 8.290 nan 0.000 0.540 84 L N 0.759 122.091 121.223 0.180 0.000 2.027 84 L HA -0.013 4.328 4.340 0.001 0.000 0.206 84 L C 0.169 176.995 176.870 -0.073 0.000 1.074 84 L CA 2.204 57.091 54.840 0.077 0.000 0.745 84 L CB -1.699 40.421 42.059 0.102 0.000 0.898 84 L HN 0.374 nan 8.230 nan 0.000 0.433 85 P HA -0.224 nan 4.420 nan 0.000 0.216 85 P C 1.534 178.742 177.300 -0.153 0.000 1.157 85 P CA 2.156 65.038 63.100 -0.363 0.000 0.880 85 P CB 0.011 31.239 31.700 -0.788 0.000 0.791 86 A N -0.353 122.456 122.820 -0.019 0.000 1.832 86 A HA -0.224 4.096 4.320 0.001 0.000 0.214 86 A C 2.361 179.826 177.584 -0.200 0.000 1.200 86 A CA 1.785 53.821 52.037 -0.003 0.000 0.610 86 A CB -1.469 17.608 19.000 0.127 0.000 0.842 86 A HN 0.171 nan 8.150 nan 0.000 0.444 87 E N -0.174 119.940 120.200 -0.143 0.000 2.160 87 E HA -0.237 4.114 4.350 0.001 0.000 0.195 87 E C 1.526 178.014 176.600 -0.187 0.000 0.991 87 E CA 1.364 57.647 56.400 -0.195 0.000 0.810 87 E CB -0.141 29.559 29.700 -0.001 0.000 0.742 87 E HN 0.553 nan 8.360 nan 0.000 0.466 88 N N -0.114 118.494 118.700 -0.153 0.000 2.381 88 N HA -0.107 4.634 4.740 0.001 0.000 0.182 88 N C 1.138 176.525 175.510 -0.205 0.000 1.025 88 N CA 1.131 54.088 53.050 -0.154 0.000 0.888 88 N CB -0.070 38.298 38.487 -0.199 0.000 0.965 88 N HN 0.233 nan 8.380 nan 0.000 0.438 89 A N -0.121 122.533 122.820 -0.278 0.000 2.014 89 A HA 0.417 4.737 4.320 0.001 0.000 0.210 89 A C 2.108 179.258 177.584 -0.725 0.000 1.188 89 A CA 0.833 52.647 52.037 -0.371 0.000 0.731 89 A CB -0.350 18.525 19.000 -0.208 0.000 0.858 89 A HN 0.214 nan 8.150 nan 0.000 0.464 90 A N -0.656 121.690 122.820 -0.790 0.000 2.066 90 A HA 0.152 4.472 4.320 0.001 0.000 0.218 90 A C 1.801 179.138 177.584 -0.411 0.000 1.157 90 A CA 1.270 52.842 52.037 -0.775 0.000 0.670 90 A CB -0.291 18.329 19.000 -0.632 0.000 0.804 90 A HN 0.356 nan 8.150 nan 0.000 0.453 91 L N -0.938 120.100 121.223 -0.308 0.000 2.249 91 L HA 0.154 4.495 4.340 0.001 0.000 0.207 91 L C 2.146 178.893 176.870 -0.205 0.000 1.090 91 L CA 1.588 56.310 54.840 -0.197 0.000 0.802 91 L CB -0.585 41.392 42.059 -0.137 0.000 0.947 91 L HN 0.343 nan 8.230 nan 0.000 0.453 92 K N -0.692 119.536 120.400 -0.286 0.000 2.057 92 K HA -0.134 4.186 4.320 0.001 0.000 0.207 92 K C 1.892 178.211 176.600 -0.470 0.000 1.049 92 K CA 1.747 57.800 56.287 -0.389 0.000 0.931 92 K CB -0.090 32.109 32.500 -0.502 0.000 0.714 92 K HN 0.161 nan 8.250 nan 0.000 0.440 93 F N -0.975 118.848 119.950 -0.212 0.000 2.446 93 F HA 0.227 4.754 4.527 0.001 0.000 0.292 93 F C 1.140 176.874 175.800 -0.110 0.000 1.096 93 F CA 0.508 58.427 58.000 -0.135 0.000 1.438 93 F CB 0.790 39.719 39.000 -0.119 0.000 1.107 93 F HN 0.177 nan 8.300 nan 0.000 0.546 94 G N 1.395 110.195 108.800 -0.001 0.000 2.526 94 G HA2 -0.072 3.888 3.960 0.001 0.000 0.225 94 G HA3 -0.072 3.888 3.960 0.001 0.000 0.225 94 G C -0.876 174.026 174.900 0.004 0.000 1.120 94 G CA -0.355 44.734 45.100 -0.018 0.000 0.904 94 G HN 0.123 nan 8.290 nan 0.000 0.498 95 V N 0.410 120.304 119.914 -0.033 0.000 2.604 95 V HA 0.535 4.655 4.120 0.001 0.000 0.305 95 V C 0.643 176.725 176.094 -0.021 0.000 1.043 95 V CA -1.232 61.083 62.300 0.025 0.000 0.888 95 V CB 1.846 33.747 31.823 0.129 0.000 0.995 95 V HN 0.635 nan 8.190 nan 0.000 0.429 96 H N 7.730 126.764 119.070 -0.060 0.000 3.094 96 H HA 0.059 4.615 4.556 0.001 0.000 0.320 96 H C -1.440 173.792 175.328 -0.161 0.000 1.000 96 H CA -0.428 55.562 56.048 -0.095 0.000 1.413 96 H CB 1.222 30.948 29.762 -0.059 0.000 1.405 96 H HN 0.378 nan 8.280 nan 0.000 0.586 97 P HA -0.187 nan 4.420 nan 0.000 0.218 97 P C 1.205 178.097 177.300 -0.680 0.000 1.149 97 P CA 1.378 63.942 63.100 -0.893 0.000 0.817 97 P CB 0.260 30.902 31.700 -1.763 0.000 0.785 98 K N 0.518 120.589 120.400 -0.548 0.000 1.991 98 K HA -0.154 4.167 4.320 0.001 0.000 0.212 98 K C 1.539 178.190 176.600 0.085 0.000 1.049 98 K CA 1.835 58.096 56.287 -0.042 0.000 0.932 98 K CB -0.491 32.104 32.500 0.157 0.000 0.717 98 K HN -0.046 nan 8.250 nan 0.000 0.441 99 D N -0.378 120.092 120.400 0.117 0.000 2.378 99 D HA -0.178 4.462 4.640 0.001 0.000 0.222 99 D C 1.410 177.781 176.300 0.117 0.000 0.980 99 D CA 0.501 54.558 54.000 0.094 0.000 0.907 99 D CB -0.076 40.774 40.800 0.083 0.000 0.899 99 D HN 0.483 nan 8.370 nan 0.000 0.527 100 W N 1.647 122.903 121.300 -0.075 0.000 2.526 100 W HA -0.105 4.556 4.660 0.001 0.000 0.294 100 W C 1.437 177.902 176.519 -0.090 0.000 1.181 100 W CA 0.921 58.205 57.345 -0.101 0.000 1.373 100 W CB -0.162 29.210 29.460 -0.147 0.000 1.112 100 W HN -0.131 nan 8.180 nan 0.000 0.545 101 T N 0.484 115.106 114.554 0.112 0.000 2.746 101 T HA -0.254 4.096 4.350 0.001 0.000 0.267 101 T C 1.422 176.037 174.700 -0.142 0.000 1.039 101 T CA 1.668 63.770 62.100 0.003 0.000 1.142 101 T CB -0.844 68.118 68.868 0.157 0.000 0.866 101 T HN 0.170 nan 8.240 nan 0.000 0.444 102 Y N 0.648 120.850 120.300 -0.163 0.000 2.561 102 Y HA 0.235 4.786 4.550 0.001 0.000 0.291 102 Y C 2.441 178.197 175.900 -0.240 0.000 1.141 102 Y CA 0.142 58.133 58.100 -0.180 0.000 1.303 102 Y CB -0.087 38.319 38.460 -0.090 0.000 1.015 102 Y HN 0.227 nan 8.280 nan 0.000 0.547 103 A N -0.248 122.466 122.820 -0.176 0.000 1.924 103 A HA -0.089 4.232 4.320 0.001 0.000 0.211 103 A C 1.845 179.168 177.584 -0.434 0.000 1.198 103 A CA 1.242 53.104 52.037 -0.292 0.000 0.657 103 A CB -0.446 18.361 19.000 -0.322 0.000 0.852 103 A HN 0.361 nan 8.150 nan 0.000 0.454 104 N N 0.128 118.491 118.700 -0.561 0.000 2.216 104 N HA -0.004 4.737 4.740 0.001 0.000 0.183 104 N C 1.486 176.639 175.510 -0.595 0.000 1.017 104 N CA 1.217 53.912 53.050 -0.592 0.000 0.861 104 N CB -0.305 37.796 38.487 -0.645 0.000 0.986 104 N HN 0.470 nan 8.380 nan 0.000 0.428 105 I N 0.190 120.331 120.570 -0.716 0.000 2.208 105 I HA -0.262 3.909 4.170 0.001 0.000 0.245 105 I C 2.564 178.147 176.117 -0.890 0.000 1.097 105 I CA 0.874 61.479 61.300 -1.158 0.000 1.363 105 I CB -0.218 37.046 38.000 -1.226 0.000 1.051 105 I HN 0.216 nan 8.210 nan 0.000 0.413 106 R N 0.814 120.972 120.500 -0.570 0.000 2.081 106 R HA -0.220 4.120 4.340 0.001 0.000 0.235 106 R C 2.276 178.373 176.300 -0.338 0.000 1.131 106 R CA 1.697 57.562 56.100 -0.390 0.000 0.960 106 R CB -0.151 29.981 30.300 -0.279 0.000 0.856 106 R HN 0.444 nan 8.270 nan 0.000 0.436 107 Q N -0.589 119.001 119.800 -0.349 0.000 2.135 107 Q HA -0.141 4.200 4.340 0.001 0.000 0.204 107 Q C 2.024 177.882 176.000 -0.237 0.000 0.981 107 Q CA 1.854 57.495 55.803 -0.269 0.000 0.856 107 Q CB -0.063 28.502 28.738 -0.288 0.000 0.902 107 Q HN 0.420 nan 8.270 nan 0.000 0.425 108 A N 1.002 123.616 122.820 -0.342 0.000 1.898 108 A HA -0.128 4.193 4.320 0.001 0.000 0.214 108 A C 1.850 179.382 177.584 -0.087 0.000 1.183 108 A CA 1.069 52.967 52.037 -0.231 0.000 0.622 108 A CB -0.150 18.635 19.000 -0.359 0.000 0.824 108 A HN 0.131 nan 8.150 nan 0.000 0.444 109 K N -0.273 120.000 120.400 -0.212 0.000 2.103 109 K HA -0.185 4.136 4.320 0.001 0.000 0.207 109 K C 2.047 178.573 176.600 -0.122 0.000 1.048 109 K CA 1.601 57.799 56.287 -0.148 0.000 0.930 109 K CB -0.113 32.163 32.500 -0.374 0.000 0.716 109 K HN 0.671 nan 8.250 nan 0.000 0.444 110 E N 0.491 120.615 120.200 -0.128 0.000 2.110 110 E HA -0.153 4.198 4.350 0.001 0.000 0.193 110 E C 1.646 178.252 176.600 0.009 0.000 0.988 110 E CA 1.271 57.632 56.400 -0.066 0.000 0.804 110 E CB 0.204 29.855 29.700 -0.081 0.000 0.745 110 E HN 0.184 nan 8.360 nan 0.000 0.458 111 S N 0.964 116.672 115.700 0.013 0.000 2.344 111 S HA -0.147 4.324 4.470 0.001 0.000 0.217 111 S C 2.011 176.683 174.600 0.120 0.000 1.033 111 S CA 1.092 59.329 58.200 0.062 0.000 1.017 111 S CB -0.397 62.828 63.200 0.041 0.000 0.941 111 S HN 0.280 nan 8.310 nan 0.000 0.430 112 L N 1.097 122.408 121.223 0.147 0.000 2.131 112 L HA -0.086 4.255 4.340 0.001 0.000 0.210 112 L C 2.808 179.848 176.870 0.283 0.000 1.092 112 L CA 1.181 56.163 54.840 0.237 0.000 0.759 112 L CB -0.534 41.731 42.059 0.344 0.000 0.903 112 L HN 0.283 nan 8.230 nan 0.000 0.435 113 R N 0.801 121.442 120.500 0.236 0.000 2.070 113 R HA -0.165 4.175 4.340 0.001 0.000 0.233 113 R C 2.399 178.849 176.300 0.250 0.000 1.137 113 R CA 1.416 57.658 56.100 0.236 0.000 0.945 113 R CB -0.247 30.124 30.300 0.118 0.000 0.845 113 R HN 0.273 nan 8.270 nan 0.000 0.430 114 L N 0.204 121.542 121.223 0.191 0.000 2.079 114 L HA -0.158 4.183 4.340 0.001 0.000 0.210 114 L C 2.224 179.234 176.870 0.233 0.000 1.081 114 L CA 0.984 55.939 54.840 0.193 0.000 0.752 114 L CB -0.117 42.031 42.059 0.148 0.000 0.896 114 L HN 0.326 nan 8.230 nan 0.000 0.433 115 M N -0.398 119.344 119.600 0.236 0.000 2.628 115 M HA 0.093 4.574 4.480 0.001 0.000 0.232 115 M C 1.123 177.617 176.300 0.322 0.000 1.128 115 M CA 0.685 56.137 55.300 0.253 0.000 1.040 115 M CB -0.892 31.832 32.600 0.206 0.000 1.608 115 M HN 0.392 nan 8.290 nan 0.000 0.507 116 G N 2.109 111.147 108.800 0.397 0.000 2.272 116 G HA2 -0.230 3.731 3.960 0.001 0.000 0.280 116 G HA3 -0.230 3.731 3.960 0.001 0.000 0.280 116 G C -0.057 174.992 174.900 0.248 0.000 1.067 116 G CA -0.135 45.266 45.100 0.502 0.000 0.902 116 G HN 0.503 nan 8.290 nan 0.000 0.500 117 I N -0.301 120.407 120.570 0.230 0.000 2.392 117 I HA 0.497 4.667 4.170 0.001 0.000 0.295 117 I C -0.010 176.178 176.117 0.118 0.000 0.985 117 I CA -1.049 60.310 61.300 0.098 0.000 1.221 117 I CB 1.486 39.580 38.000 0.157 0.000 1.366 117 I HN -0.091 nan 8.210 nan 0.000 0.467 118 L N 7.211 128.369 121.223 -0.109 0.000 2.322 118 L HA 0.528 4.869 4.340 0.001 0.000 0.281 118 L C -0.783 175.911 176.870 -0.294 0.000 1.014 118 L CA -0.323 54.499 54.840 -0.030 0.000 0.815 118 L CB 1.143 43.175 42.059 -0.045 0.000 1.247 118 L HN 0.339 nan 8.230 nan 0.000 0.421 119 Y N -0.300 119.931 120.300 -0.115 0.000 2.705 119 Y HA 0.351 4.901 4.550 0.001 0.000 0.332 119 Y C -0.153 175.449 175.900 -0.497 0.000 1.157 119 Y CA -1.085 56.691 58.100 -0.540 0.000 1.091 119 Y CB 1.145 38.845 38.460 -1.265 0.000 1.301 119 Y HN 0.402 nan 8.280 nan 0.000 0.488 120 D N 0.412 120.596 120.400 -0.359 0.000 2.563 120 D HA 0.098 4.738 4.640 0.001 0.000 0.222 120 D C -0.149 176.014 176.300 -0.228 0.000 1.145 120 D CA -0.150 53.704 54.000 -0.243 0.000 1.001 120 D CB -0.198 40.439 40.800 -0.272 0.000 1.049 120 D HN 0.492 nan 8.370 nan 0.000 0.515 121 W N 1.145 122.442 121.300 -0.005 0.000 2.538 121 W HA -0.057 4.603 4.660 0.001 0.000 0.254 121 W C 1.811 178.348 176.519 0.030 0.000 1.249 121 W CA -0.223 57.125 57.345 0.006 0.000 1.253 121 W CB 0.274 29.764 29.460 0.050 0.000 1.130 121 W HN 0.287 nan 8.180 nan 0.000 0.618 122 D N 0.196 120.719 120.400 0.204 0.000 2.149 122 D HA -0.140 4.500 4.640 0.001 0.000 0.198 122 D C 1.513 177.930 176.300 0.196 0.000 0.990 122 D CA 1.223 55.336 54.000 0.190 0.000 0.839 122 D CB -0.138 40.742 40.800 0.135 0.000 0.948 122 D HN 0.300 nan 8.370 nan 0.000 0.460 123 R N 1.083 121.610 120.500 0.045 0.000 2.363 123 R HA 0.082 4.423 4.340 0.001 0.000 0.236 123 R C 0.539 176.856 176.300 0.028 0.000 0.966 123 R CA -0.174 55.907 56.100 -0.031 0.000 1.100 123 R CB 0.084 30.301 30.300 -0.139 0.000 1.125 123 R HN 0.171 nan 8.270 nan 0.000 0.514 124 E N 2.590 122.851 120.200 0.101 0.000 2.406 124 E HA -0.016 4.334 4.350 0.001 0.000 0.247 124 E C -0.287 176.412 176.600 0.164 0.000 1.160 124 E CA -0.178 56.312 56.400 0.150 0.000 0.950 124 E CB 0.492 30.415 29.700 0.372 0.000 0.993 124 E HN 0.034 nan 8.360 nan 0.000 0.472 125 V N 2.592 122.570 119.914 0.106 0.000 2.465 125 V HA 0.495 4.616 4.120 0.001 0.000 0.279 125 V C -0.249 175.850 176.094 0.008 0.000 1.045 125 V CA -0.475 61.848 62.300 0.038 0.000 0.938 125 V CB 1.621 33.384 31.823 -0.101 0.000 0.986 125 V HN 0.508 nan 8.190 nan 0.000 0.467 126 T N 3.177 117.751 114.554 0.034 0.000 2.809 126 T HA 0.357 4.707 4.350 0.001 0.000 0.284 126 T C 1.266 175.917 174.700 -0.081 0.000 0.992 126 T CA 0.233 62.355 62.100 0.037 0.000 0.957 126 T CB 1.241 70.175 68.868 0.111 0.000 0.942 126 T HN 1.004 nan 8.240 nan 0.000 0.439 127 T N -1.393 113.053 114.554 -0.179 0.000 2.833 127 T HA -0.177 4.173 4.350 0.001 0.000 0.269 127 T C 2.279 177.119 174.700 0.234 0.000 1.054 127 T CA 1.338 63.359 62.100 -0.132 0.000 1.135 127 T CB -0.854 68.016 68.868 0.003 0.000 0.869 127 T HN 0.853 nan 8.240 nan 0.000 0.466 128 C N 1.603 120.896 119.300 -0.012 0.000 2.522 128 C HA 0.256 4.717 4.460 0.001 0.000 0.271 128 C C 0.883 175.977 174.990 0.172 0.000 1.425 128 C CA -1.098 57.717 59.018 -0.339 0.000 1.751 128 C CB -1.483 25.996 27.740 -0.436 0.000 1.775 128 C HN 0.505 nan 8.230 nan 0.000 0.557 129 E N 2.054 122.395 120.200 0.236 0.000 2.338 129 E HA 0.167 4.518 4.350 0.001 0.000 0.272 129 E C -1.561 174.943 176.600 -0.159 0.000 1.029 129 E CA -1.425 55.068 56.400 0.155 0.000 0.872 129 E CB 1.005 30.811 29.700 0.177 0.000 1.015 129 E HN 0.274 nan 8.360 nan 0.000 0.417 130 P HA -0.162 nan 4.420 nan 0.000 0.217 130 P C 0.785 177.721 177.300 -0.606 0.000 1.150 130 P CA 0.927 63.261 63.100 -1.278 0.000 0.832 130 P CB 0.330 31.654 31.700 -0.627 0.000 0.787 131 E N -1.376 118.690 120.200 -0.223 0.000 2.136 131 E HA -0.249 4.102 4.350 0.001 0.000 0.208 131 E C 1.930 178.572 176.600 0.069 0.000 1.035 131 E CA 1.574 57.955 56.400 -0.032 0.000 0.838 131 E CB -1.183 28.582 29.700 0.108 0.000 0.748 131 E HN 0.369 nan 8.360 nan 0.000 0.459 132 Y N -0.424 119.898 120.300 0.037 0.000 2.177 132 Y HA -0.179 4.372 4.550 0.001 0.000 0.291 132 Y C 2.187 178.235 175.900 0.247 0.000 1.117 132 Y CA 1.737 59.979 58.100 0.236 0.000 1.114 132 Y CB -0.627 37.966 38.460 0.222 0.000 1.017 132 Y HN 0.266 nan 8.280 nan 0.000 0.505 133 Y N 1.101 121.646 120.300 0.409 0.000 2.639 133 Y HA -0.038 4.512 4.550 0.001 0.000 0.297 133 Y C 2.167 178.083 175.900 0.026 0.000 1.151 133 Y CA 0.598 58.874 58.100 0.292 0.000 1.335 133 Y CB -0.864 37.764 38.460 0.279 0.000 0.994 133 Y HN 0.140 nan 8.280 nan 0.000 0.548 134 R N 0.263 120.682 120.500 -0.135 0.000 2.105 134 R HA -0.193 4.148 4.340 0.001 0.000 0.239 134 R C 1.018 177.159 176.300 -0.264 0.000 1.135 134 R CA 1.968 57.875 56.100 -0.322 0.000 0.967 134 R CB -1.219 28.665 30.300 -0.695 0.000 0.861 134 R HN 0.555 nan 8.270 nan 0.000 0.442 135 W N 1.025 122.380 121.300 0.092 0.000 3.047 135 W HA 0.211 4.872 4.660 0.001 0.000 0.250 135 W C 1.636 178.247 176.519 0.154 0.000 1.314 135 W CA -0.361 57.023 57.345 0.063 0.000 1.540 135 W CB -0.041 29.392 29.460 -0.045 0.000 1.127 135 W HN 0.179 nan 8.180 nan 0.000 0.679 136 N N 0.652 119.600 118.700 0.413 0.000 2.135 136 N HA -0.155 4.586 4.740 0.001 0.000 0.186 136 N C 1.527 177.134 175.510 0.162 0.000 1.027 136 N CA 1.195 54.481 53.050 0.394 0.000 0.849 136 N CB -0.296 38.329 38.487 0.230 0.000 1.002 136 N HN 0.347 nan 8.380 nan 0.000 0.425 137 Q N 0.112 119.947 119.800 0.058 0.000 2.084 137 Q HA -0.173 4.168 4.340 0.001 0.000 0.202 137 Q C 1.763 177.855 176.000 0.153 0.000 0.978 137 Q CA 1.415 57.212 55.803 -0.010 0.000 0.844 137 Q CB -0.244 28.448 28.738 -0.076 0.000 0.898 137 Q HN 0.445 nan 8.270 nan 0.000 0.426 138 W N 1.132 122.464 121.300 0.053 0.000 2.304 138 W HA -0.275 4.385 4.660 0.001 0.000 0.315 138 W C 1.586 178.170 176.519 0.108 0.000 1.233 138 W CA 1.757 59.168 57.345 0.110 0.000 1.261 138 W CB -0.180 29.452 29.460 0.287 0.000 1.150 138 W HN 0.080 nan 8.180 nan 0.000 0.494 139 I N -0.846 120.020 120.570 0.493 0.000 2.142 139 I HA -0.312 3.858 4.170 0.001 0.000 0.240 139 I C 2.336 178.585 176.117 0.221 0.000 1.078 139 I CA 1.669 63.185 61.300 0.361 0.000 1.343 139 I CB -0.980 37.238 38.000 0.364 0.000 1.046 139 I HN -0.042 nan 8.210 nan 0.000 0.405 140 F N 1.357 121.373 119.950 0.110 0.000 2.154 140 F HA -0.243 4.285 4.527 0.001 0.000 0.301 140 F C 2.127 177.897 175.800 -0.052 0.000 1.087 140 F CA 1.698 59.688 58.000 -0.015 0.000 1.274 140 F CB -0.155 38.724 39.000 -0.203 0.000 1.009 140 F HN -0.077 nan 8.300 nan 0.000 0.485 141 L N -0.397 120.877 121.223 0.084 0.000 2.313 141 L HA -0.117 4.224 4.340 0.001 0.000 0.214 141 L C 2.147 178.982 176.870 -0.060 0.000 1.119 141 L CA 0.595 55.431 54.840 -0.008 0.000 0.809 141 L CB -0.516 41.483 42.059 -0.100 0.000 0.933 141 L HN -0.014 nan 8.230 nan 0.000 0.449 142 K N -0.050 120.251 120.400 -0.165 0.000 2.211 142 K HA 0.103 4.423 4.320 0.001 0.000 0.201 142 K C 2.003 178.646 176.600 0.071 0.000 1.052 142 K CA 0.854 57.064 56.287 -0.129 0.000 0.973 142 K CB -0.045 32.257 32.500 -0.331 0.000 0.766 142 K HN 0.328 nan 8.250 nan 0.000 0.466 143 M N -0.356 119.233 119.600 -0.017 0.000 2.229 143 M HA -0.139 4.341 4.480 0.001 0.000 0.264 143 M C 2.046 178.248 176.300 -0.164 0.000 1.063 143 M CA 1.278 56.418 55.300 -0.267 0.000 1.114 143 M CB -0.387 31.911 32.600 -0.503 0.000 1.387 143 M HN 0.277 nan 8.290 nan 0.000 0.420 144 W N 2.397 123.514 121.300 -0.305 0.000 2.353 144 W HA -0.177 4.484 4.660 0.001 0.000 0.319 144 W C 1.731 178.195 176.519 -0.091 0.000 1.207 144 W CA 1.687 58.905 57.345 -0.211 0.000 1.291 144 W CB -0.484 28.860 29.460 -0.193 0.000 1.159 144 W HN 0.275 nan 8.180 nan 0.000 0.478 145 E N 0.319 120.520 120.200 0.003 0.000 2.065 145 E HA -0.319 4.032 4.350 0.001 0.000 0.201 145 E C 2.107 178.615 176.600 -0.153 0.000 1.016 145 E CA 1.881 58.232 56.400 -0.083 0.000 0.818 145 E CB -0.456 29.248 29.700 0.008 0.000 0.749 145 E HN 0.135 nan 8.360 nan 0.000 0.453 146 K N -0.796 119.558 120.400 -0.077 0.000 2.555 146 K HA -0.053 4.268 4.320 0.001 0.000 0.193 146 K C 0.594 177.133 176.600 -0.102 0.000 1.032 146 K CA 0.613 56.873 56.287 -0.046 0.000 1.004 146 K CB 0.153 32.700 32.500 0.077 0.000 0.804 146 K HN 0.324 nan 8.250 nan 0.000 0.496 147 G N 0.798 109.477 108.800 -0.201 0.000 2.149 147 G HA2 -0.219 3.741 3.960 0.001 0.000 0.235 147 G HA3 -0.219 3.741 3.960 0.001 0.000 0.235 147 G C 0.269 175.114 174.900 -0.091 0.000 1.018 147 G CA 0.136 45.102 45.100 -0.224 0.000 0.728 147 G HN 0.313 nan 8.290 nan 0.000 0.508 148 L N -0.382 120.796 121.223 -0.074 0.000 2.769 148 L HA 0.604 4.945 4.340 0.001 0.000 0.240 148 L C 1.189 178.068 176.870 0.015 0.000 1.163 148 L CA 0.577 55.423 54.840 0.009 0.000 0.962 148 L CB 0.581 42.628 42.059 -0.019 0.000 1.258 148 L HN 0.490 nan 8.230 nan 0.000 0.513 149 A N 0.273 123.094 122.820 0.001 0.000 2.545 149 A HA 0.593 4.914 4.320 0.001 0.000 0.300 149 A C -1.037 176.797 177.584 0.416 0.000 1.252 149 A CA -0.383 51.667 52.037 0.020 0.000 0.753 149 A CB 0.164 18.891 19.000 -0.455 0.000 1.144 149 A HN 0.264 nan 8.150 nan 0.000 0.457 150 Y N -0.170 120.388 120.300 0.431 0.000 2.659 150 Y HA 0.879 5.430 4.550 0.001 0.000 0.333 150 Y C -0.183 175.852 175.900 0.224 0.000 1.064 150 Y CA -1.523 56.779 58.100 0.336 0.000 1.141 150 Y CB 1.084 39.597 38.460 0.087 0.000 1.316 150 Y HN 0.495 nan 8.280 nan 0.000 0.509 151 R N 0.960 121.525 120.500 0.108 0.000 2.787 151 R HA 0.930 5.270 4.340 0.001 0.000 0.271 151 R C -1.352 175.058 176.300 0.184 0.000 0.993 151 R CA -0.959 55.073 56.100 -0.113 0.000 0.993 151 R CB 2.030 31.994 30.300 -0.560 0.000 1.155 151 R HN 1.040 nan 8.270 nan 0.000 0.486 152 A N 1.162 124.075 122.820 0.155 0.000 2.566 152 A HA 0.331 4.652 4.320 0.001 0.000 0.290 152 A C -0.818 176.834 177.584 0.113 0.000 1.071 152 A CA -0.836 51.254 52.037 0.088 0.000 0.658 152 A CB 1.147 20.169 19.000 0.037 0.000 1.285 152 A HN 0.653 nan 8.150 nan 0.000 0.427 153 K N 0.249 120.690 120.400 0.068 0.000 2.613 153 K HA 0.483 4.803 4.320 0.001 0.000 0.186 153 K C 0.982 177.662 176.600 0.133 0.000 1.126 153 K CA 0.709 57.048 56.287 0.088 0.000 1.230 153 K CB -0.415 32.117 32.500 0.053 0.000 1.713 153 K HN 2.182 nan 8.250 nan 0.000 0.491 154 G N 0.510 109.382 108.800 0.120 0.000 2.819 154 G HA2 -0.240 3.721 3.960 0.001 0.000 0.682 154 G HA3 -0.240 3.721 3.960 0.001 0.000 0.682 154 G C -0.377 174.627 174.900 0.173 0.000 1.481 154 G CA -0.621 44.571 45.100 0.154 0.000 0.904 154 G HN 0.283 nan 8.290 nan 0.000 0.563 155 L N -0.204 121.126 121.223 0.179 0.000 2.472 155 L HA 0.602 4.942 4.340 0.001 0.000 0.260 155 L C 1.435 178.429 176.870 0.207 0.000 1.209 155 L CA 0.122 55.066 54.840 0.174 0.000 0.817 155 L CB 0.697 42.853 42.059 0.162 0.000 1.106 155 L HN 1.145 nan 8.230 nan 0.000 0.479 156 V N -1.551 118.486 119.914 0.206 0.000 3.069 156 V HA 0.595 4.716 4.120 0.001 0.000 0.312 156 V C -1.225 175.004 176.094 0.224 0.000 1.369 156 V CA -1.079 61.354 62.300 0.223 0.000 1.047 156 V CB 2.085 34.047 31.823 0.231 0.000 1.098 156 V HN 0.725 nan 8.190 nan 0.000 0.473 157 N N 0.609 119.448 118.700 0.232 0.000 2.314 157 N HA 0.584 5.324 4.740 0.001 0.000 0.304 157 N C -1.714 173.977 175.510 0.303 0.000 1.073 157 N CA -0.352 52.843 53.050 0.241 0.000 0.822 157 N CB 1.945 40.551 38.487 0.198 0.000 1.280 157 N HN 0.895 nan 8.380 nan 0.000 0.489 158 W N 2.780 124.149 121.300 0.115 0.000 2.839 158 W HA 0.485 5.146 4.660 0.001 0.000 0.334 158 W C -1.220 175.365 176.519 0.109 0.000 1.064 158 W CA -0.958 56.453 57.345 0.110 0.000 1.236 158 W CB 1.602 31.116 29.460 0.089 0.000 1.405 158 W HN 0.494 nan 8.180 nan 0.000 0.478 159 C N 10.071 129.271 119.300 -0.167 0.000 2.317 159 C HA 0.365 4.826 4.460 0.001 0.000 0.306 159 C C -0.777 174.223 174.990 0.017 0.000 1.087 159 C CA -2.294 56.725 59.018 0.002 0.000 1.529 159 C CB -0.092 27.647 27.740 -0.002 0.000 1.880 159 C HN 0.467 nan 8.230 nan 0.000 0.417 160 P HA -0.098 nan 4.420 nan 0.000 0.231 160 P C 1.221 178.577 177.300 0.092 0.000 1.158 160 P CA 1.211 64.461 63.100 0.250 0.000 0.763 160 P CB 0.112 31.950 31.700 0.230 0.000 0.805 161 K N -0.641 119.767 120.400 0.013 0.000 2.044 161 K HA -0.009 4.312 4.320 0.001 0.000 0.204 161 K C 2.005 178.591 176.600 -0.024 0.000 1.045 161 K CA 1.193 57.423 56.287 -0.093 0.000 0.951 161 K CB -0.387 31.919 32.500 -0.323 0.000 0.738 161 K HN 0.135 nan 8.250 nan 0.000 0.443 162 C N 0.782 120.097 119.300 0.025 0.000 2.446 162 C HA 0.037 4.497 4.460 0.001 0.000 0.279 162 C C 0.730 175.668 174.990 -0.087 0.000 1.366 162 C CA -0.026 58.987 59.018 -0.008 0.000 1.763 162 C CB -0.348 27.382 27.740 -0.016 0.000 1.929 162 C HN 0.536 nan 8.230 nan 0.000 0.509 163 Q N 0.469 120.196 119.800 -0.122 0.000 2.468 163 Q HA -0.180 4.161 4.340 0.001 0.000 0.289 163 Q C -0.037 175.695 176.000 -0.447 0.000 1.299 163 Q CA 1.605 57.384 55.803 -0.041 0.000 0.838 163 Q CB -1.590 27.238 28.738 0.149 0.000 1.195 163 Q HN 0.748 nan 8.270 nan 0.000 0.456 164 T N -2.548 111.279 114.554 -1.211 0.000 2.733 164 T HA 0.522 4.872 4.350 0.001 0.000 0.312 164 T C -0.843 173.140 174.700 -1.196 0.000 1.590 164 T CA -0.098 61.205 62.100 -1.330 0.000 1.005 164 T CB 1.360 69.975 68.868 -0.423 0.000 1.528 164 T HN 0.375 nan 8.240 nan 0.000 0.496 165 V N 1.752 121.313 119.914 -0.588 0.000 2.775 165 V HA 0.760 4.881 4.120 0.001 0.000 0.299 165 V C -0.417 175.659 176.094 -0.029 0.000 1.062 165 V CA -0.271 61.954 62.300 -0.124 0.000 1.063 165 V CB 0.319 32.214 31.823 0.121 0.000 0.994 165 V HN 0.780 nan 8.190 nan 0.000 0.483 166 L N 2.923 124.187 121.223 0.068 0.000 2.333 166 L HA 0.847 5.188 4.340 0.001 0.000 0.263 166 L C 0.524 177.491 176.870 0.161 0.000 1.014 166 L CA -0.805 54.115 54.840 0.133 0.000 0.820 166 L CB 1.943 44.104 42.059 0.171 0.000 1.352 166 L HN 0.961 nan 8.230 nan 0.000 0.421 167 A N 0.875 123.809 122.820 0.191 0.000 2.332 167 A HA 0.235 4.555 4.320 0.001 0.000 0.258 167 A C 0.677 178.375 177.584 0.189 0.000 1.087 167 A CA -0.222 51.957 52.037 0.236 0.000 0.802 167 A CB 0.089 19.293 19.000 0.340 0.000 1.042 167 A HN 0.891 nan 8.150 nan 0.000 0.489 168 N N 0.519 119.360 118.700 0.235 0.000 2.060 168 N HA -0.193 4.547 4.740 0.001 0.000 0.195 168 N C 1.150 176.796 175.510 0.227 0.000 1.028 168 N CA 2.250 55.458 53.050 0.263 0.000 0.861 168 N CB -0.298 38.389 38.487 0.334 0.000 1.029 168 N HN 0.783 nan 8.380 nan 0.000 0.428 169 E N 0.322 120.588 120.200 0.109 0.000 2.268 169 E HA -0.086 4.264 4.350 0.001 0.000 0.195 169 E C 0.895 177.313 176.600 -0.304 0.000 0.995 169 E CA 0.651 56.901 56.400 -0.250 0.000 0.836 169 E CB -0.077 29.299 29.700 -0.542 0.000 0.763 169 E HN 0.465 nan 8.360 nan 0.000 0.491 170 Q N 0.073 119.762 119.800 -0.185 0.000 2.253 170 Q HA 0.132 4.473 4.340 0.001 0.000 0.210 170 Q C -0.938 175.094 176.000 0.054 0.000 0.907 170 Q CA -0.030 55.630 55.803 -0.240 0.000 0.948 170 Q CB 0.683 29.211 28.738 -0.350 0.000 1.033 170 Q HN -0.017 nan 8.270 nan 0.000 0.471 171 V N 0.888 120.843 119.914 0.067 0.000 2.439 171 V HA 0.264 4.385 4.120 0.001 0.000 0.277 171 V C -0.460 175.699 176.094 0.108 0.000 1.008 171 V CA -0.672 61.709 62.300 0.136 0.000 0.846 171 V CB 1.475 33.394 31.823 0.160 0.000 1.031 171 V HN -0.114 nan 8.190 nan 0.000 0.441 172 V N 2.937 122.908 119.914 0.095 0.000 2.713 172 V HA 0.479 4.600 4.120 0.001 0.000 0.307 172 V C 1.013 177.156 176.094 0.082 0.000 1.052 172 V CA -0.481 61.859 62.300 0.066 0.000 0.967 172 V CB 1.532 33.373 31.823 0.031 0.000 1.019 172 V HN 0.978 nan 8.190 nan 0.000 0.459 173 E N 2.045 122.290 120.200 0.074 0.000 2.805 173 E HA -0.287 4.063 4.350 0.001 0.000 0.266 173 E C 1.108 177.755 176.600 0.079 0.000 1.092 173 E CA 0.601 57.043 56.400 0.070 0.000 0.781 173 E CB -1.235 28.499 29.700 0.057 0.000 1.379 173 E HN 1.515 nan 8.360 nan 0.000 0.433 174 G N 0.085 108.941 108.800 0.094 0.000 2.221 174 G HA2 -0.356 3.605 3.960 0.001 0.000 0.265 174 G HA3 -0.356 3.605 3.960 0.001 0.000 0.265 174 G C 0.094 175.055 174.900 0.101 0.000 1.041 174 G CA 1.016 46.175 45.100 0.099 0.000 0.807 174 G HN 0.301 nan 8.290 nan 0.000 0.502 175 R N -1.886 118.679 120.500 0.109 0.000 2.831 175 R HA 0.620 4.961 4.340 0.001 0.000 0.266 175 R C 0.479 176.867 176.300 0.147 0.000 1.051 175 R CA -0.295 55.874 56.100 0.115 0.000 0.943 175 R CB 0.769 31.125 30.300 0.094 0.000 1.228 175 R HN 0.406 nan 8.270 nan 0.000 0.467 176 C N 0.867 120.262 119.300 0.158 0.000 2.713 176 C HA 0.228 4.689 4.460 0.001 0.000 0.330 176 C C 1.641 176.772 174.990 0.235 0.000 1.416 176 C CA -0.476 58.673 59.018 0.218 0.000 2.351 176 C CB -0.093 27.749 27.740 0.170 0.000 2.388 176 C HN 0.990 nan 8.230 nan 0.000 0.729 177 W N 0.766 122.079 121.300 0.022 0.000 2.728 177 W HA 0.282 4.943 4.660 0.001 0.000 0.270 177 W C 1.844 178.341 176.519 -0.037 0.000 1.150 177 W CA 0.218 57.565 57.345 0.003 0.000 1.518 177 W CB -1.100 28.377 29.460 0.028 0.000 1.069 177 W HN 0.531 nan 8.180 nan 0.000 0.590 178 R N 0.674 120.638 120.500 -0.893 0.000 2.210 178 R HA 0.038 4.379 4.340 0.001 0.000 0.203 178 R C -0.282 175.627 176.300 -0.652 0.000 1.010 178 R CA 0.718 56.267 56.100 -0.919 0.000 1.008 178 R CB -0.686 28.766 30.300 -1.414 0.000 0.923 178 R HN 0.374 nan 8.270 nan 0.000 0.469 179 H N -0.110 118.811 119.070 -0.248 0.000 2.530 179 H HA 0.158 4.715 4.556 0.001 0.000 0.246 179 H C 0.085 175.382 175.328 -0.051 0.000 1.346 179 H CA -0.295 55.676 56.048 -0.129 0.000 1.424 179 H CB 1.267 30.956 29.762 -0.121 0.000 1.445 179 H HN -0.123 nan 8.280 nan 0.000 0.511 180 E N 1.413 121.652 120.200 0.065 0.000 2.511 180 E HA -0.113 4.238 4.350 0.001 0.000 0.196 180 E C 1.112 177.748 176.600 0.059 0.000 1.066 180 E CA 0.716 57.154 56.400 0.062 0.000 0.871 180 E CB 0.272 30.000 29.700 0.046 0.000 0.863 180 E HN 0.711 nan 8.360 nan 0.000 0.520 181 D N -1.834 118.601 120.400 0.060 0.000 2.338 181 D HA -0.038 4.602 4.640 0.001 0.000 0.208 181 D C 0.153 176.477 176.300 0.040 0.000 0.997 181 D CA 0.197 54.220 54.000 0.038 0.000 0.880 181 D CB -0.267 40.543 40.800 0.017 0.000 0.980 181 D HN -0.126 nan 8.370 nan 0.000 0.509 182 T N 3.751 118.337 114.554 0.054 0.000 2.727 182 T HA 0.327 4.678 4.350 0.001 0.000 0.295 182 T C -2.440 172.309 174.700 0.082 0.000 0.915 182 T CA -0.985 61.147 62.100 0.054 0.000 1.066 182 T CB 1.588 70.485 68.868 0.049 0.000 0.891 182 T HN 0.078 nan 8.240 nan 0.000 0.516 183 P HA 0.381 nan 4.420 nan 0.000 0.276 183 P C -0.877 176.494 177.300 0.117 0.000 1.244 183 P CA -0.580 62.576 63.100 0.093 0.000 0.801 183 P CB 0.657 32.404 31.700 0.078 0.000 1.006 184 V N 1.343 121.335 119.914 0.131 0.000 2.581 184 V HA 0.321 4.442 4.120 0.001 0.000 0.303 184 V C 0.518 176.707 176.094 0.158 0.000 1.041 184 V CA -0.454 61.943 62.300 0.162 0.000 0.907 184 V CB 1.338 33.261 31.823 0.168 0.000 0.994 184 V HN 0.542 nan 8.190 nan 0.000 0.442 185 E N 2.510 122.824 120.200 0.190 0.000 3.029 185 E HA 0.644 4.995 4.350 0.001 0.000 0.249 185 E C -1.097 175.608 176.600 0.175 0.000 1.089 185 E CA -1.066 55.429 56.400 0.158 0.000 1.089 185 E CB 1.324 31.105 29.700 0.136 0.000 1.428 185 E HN 0.514 nan 8.360 nan 0.000 0.555 186 K N 0.557 121.041 120.400 0.140 0.000 2.482 186 K HA 0.509 4.830 4.320 0.001 0.000 0.251 186 K C -1.048 175.617 176.600 0.108 0.000 0.936 186 K CA -0.529 55.845 56.287 0.144 0.000 0.791 186 K CB 2.213 34.788 32.500 0.124 0.000 1.213 186 K HN 0.193 nan 8.250 nan 0.000 0.428 187 R N 1.359 121.934 120.500 0.124 0.000 2.575 187 R HA 0.142 4.482 4.340 0.001 0.000 0.293 187 R C -1.211 175.140 176.300 0.085 0.000 0.983 187 R CA -0.837 55.300 56.100 0.062 0.000 0.887 187 R CB 1.946 32.234 30.300 -0.020 0.000 1.184 187 R HN 0.531 nan 8.270 nan 0.000 0.445 188 E N 3.512 123.745 120.200 0.055 0.000 2.159 188 E HA 0.198 4.549 4.350 0.001 0.000 0.272 188 E C -1.141 175.497 176.600 0.064 0.000 1.138 188 E CA 0.259 56.699 56.400 0.068 0.000 0.915 188 E CB 0.243 29.970 29.700 0.046 0.000 1.028 188 E HN 0.350 nan 8.360 nan 0.000 0.423 189 L N 3.566 124.848 121.223 0.099 0.000 2.445 189 L HA 0.355 4.695 4.340 0.001 0.000 0.262 189 L C -0.487 176.451 176.870 0.113 0.000 0.974 189 L CA -0.920 53.978 54.840 0.097 0.000 0.822 189 L CB 2.220 44.357 42.059 0.130 0.000 1.339 189 L HN 0.502 nan 8.230 nan 0.000 0.409 190 E N 2.590 122.834 120.200 0.074 0.000 2.290 190 E HA 0.290 4.641 4.350 0.001 0.000 0.277 190 E C -1.070 175.570 176.600 0.067 0.000 1.035 190 E CA -0.252 56.186 56.400 0.064 0.000 0.873 190 E CB 0.767 30.464 29.700 -0.005 0.000 1.029 190 E HN 0.279 nan 8.360 nan 0.000 0.419 191 Q N 2.794 122.662 119.800 0.112 0.000 2.626 191 Q HA 0.285 4.625 4.340 0.001 0.000 0.300 191 Q C -1.538 174.498 176.000 0.060 0.000 0.988 191 Q CA -0.647 55.199 55.803 0.072 0.000 0.761 191 Q CB 0.757 29.543 28.738 0.080 0.000 1.494 191 Q HN 0.581 nan 8.270 nan 0.000 0.439 192 W N 0.839 122.173 121.300 0.057 0.000 2.316 192 W HA 0.443 5.104 4.660 0.001 0.000 0.311 192 W C -0.359 176.065 176.519 -0.159 0.000 1.217 192 W CA 0.027 57.414 57.345 0.072 0.000 1.199 192 W CB 0.549 30.075 29.460 0.109 0.000 1.202 192 W HN 0.388 nan 8.180 nan 0.000 0.528 193 Y N 2.008 122.338 120.300 0.049 0.000 2.587 193 Y HA 0.669 5.220 4.550 0.001 0.000 0.337 193 Y C -0.206 175.605 175.900 -0.150 0.000 1.065 193 Y CA -1.307 56.683 58.100 -0.185 0.000 1.126 193 Y CB 1.236 39.310 38.460 -0.644 0.000 1.279 193 Y HN 0.030 nan 8.280 nan 0.000 0.489 194 L N 1.795 123.083 121.223 0.108 0.000 2.381 194 L HA 0.501 4.841 4.340 0.001 0.000 0.274 194 L C 0.114 177.097 176.870 0.187 0.000 0.988 194 L CA -0.735 54.181 54.840 0.127 0.000 0.824 194 L CB 1.779 43.918 42.059 0.135 0.000 1.263 194 L HN 0.530 nan 8.230 nan 0.000 0.410 195 R N 3.475 124.057 120.500 0.136 0.000 4.556 195 R HA 0.148 4.488 4.340 0.001 0.000 0.197 195 R C 1.143 177.397 176.300 -0.077 0.000 1.791 195 R CA -0.021 56.165 56.100 0.144 0.000 1.526 195 R CB -0.111 30.322 30.300 0.222 0.000 1.410 195 R HN 0.715 nan 8.270 nan 0.000 0.826 196 I N 0.510 120.950 120.570 -0.216 0.000 2.916 196 I HA -0.214 3.957 4.170 0.001 0.000 0.267 196 I C 1.789 177.787 176.117 -0.199 0.000 1.263 196 I CA 1.288 62.252 61.300 -0.559 0.000 1.471 196 I CB 0.235 38.014 38.000 -0.368 0.000 1.089 196 I HN 0.427 nan 8.210 nan 0.000 0.468 197 T N -1.522 113.007 114.554 -0.042 0.000 2.962 197 T HA -0.034 4.317 4.350 0.001 0.000 0.270 197 T C 1.877 176.582 174.700 0.009 0.000 1.088 197 T CA 0.833 62.935 62.100 0.003 0.000 1.127 197 T CB -0.429 68.473 68.868 0.057 0.000 0.883 197 T HN 0.359 nan 8.240 nan 0.000 0.493 198 A N 0.292 123.119 122.820 0.011 0.000 2.015 198 A HA 0.115 4.436 4.320 0.001 0.000 0.219 198 A C 1.688 179.240 177.584 -0.053 0.000 1.163 198 A CA 0.694 52.727 52.037 -0.006 0.000 0.646 198 A CB -0.824 18.182 19.000 0.010 0.000 0.806 198 A HN 0.628 nan 8.150 nan 0.000 0.448 199 Y N -0.816 119.438 120.300 -0.077 0.000 2.493 199 Y HA 0.375 4.926 4.550 0.001 0.000 0.275 199 Y C 2.272 178.111 175.900 -0.102 0.000 1.183 199 Y CA -0.148 57.934 58.100 -0.030 0.000 1.258 199 Y CB -0.163 38.330 38.460 0.054 0.000 1.108 199 Y HN 0.330 nan 8.280 nan 0.000 0.521 200 A N 0.190 122.963 122.820 -0.078 0.000 1.908 200 A HA -0.257 4.064 4.320 0.001 0.000 0.218 200 A C 2.121 179.443 177.584 -0.437 0.000 1.181 200 A CA 2.127 53.952 52.037 -0.353 0.000 0.627 200 A CB -0.303 18.289 19.000 -0.679 0.000 0.818 200 A HN 0.389 nan 8.150 nan 0.000 0.445 201 E N 0.217 120.265 120.200 -0.255 0.000 2.072 201 E HA -0.159 4.192 4.350 0.001 0.000 0.191 201 E C 2.108 178.678 176.600 -0.051 0.000 0.985 201 E CA 1.556 57.899 56.400 -0.094 0.000 0.801 201 E CB -0.301 29.443 29.700 0.073 0.000 0.750 201 E HN 0.603 nan 8.360 nan 0.000 0.452 202 R N -0.241 120.252 120.500 -0.012 0.000 2.070 202 R HA -0.089 4.251 4.340 0.001 0.000 0.233 202 R C 2.632 178.927 176.300 -0.009 0.000 1.137 202 R CA 1.637 57.748 56.100 0.018 0.000 0.945 202 R CB -0.646 29.711 30.300 0.096 0.000 0.845 202 R HN 0.199 nan 8.270 nan 0.000 0.430 203 L N 0.451 121.671 121.223 -0.004 0.000 1.997 203 L HA -0.270 4.070 4.340 0.001 0.000 0.216 203 L C 2.434 179.262 176.870 -0.070 0.000 1.074 203 L CA 1.220 56.041 54.840 -0.032 0.000 0.763 203 L CB -0.659 41.386 42.059 -0.025 0.000 0.890 203 L HN 0.234 nan 8.230 nan 0.000 0.434 204 L N -0.726 120.447 121.223 -0.084 0.000 2.093 204 L HA -0.168 4.173 4.340 0.001 0.000 0.208 204 L C 2.326 179.167 176.870 -0.049 0.000 1.085 204 L CA 1.873 56.675 54.840 -0.063 0.000 0.755 204 L CB -0.664 41.360 42.059 -0.058 0.000 0.904 204 L HN 0.134 nan 8.230 nan 0.000 0.435 205 K N -0.909 119.465 120.400 -0.043 0.000 2.202 205 K HA -0.027 4.294 4.320 0.001 0.000 0.201 205 K C 1.556 178.125 176.600 -0.051 0.000 1.051 205 K CA 0.814 57.082 56.287 -0.031 0.000 0.977 205 K CB 0.069 32.562 32.500 -0.010 0.000 0.792 205 K HN 0.333 nan 8.250 nan 0.000 0.469 206 D N 1.604 121.965 120.400 -0.063 0.000 2.144 206 D HA -0.152 4.489 4.640 0.001 0.000 0.200 206 D C 1.938 178.158 176.300 -0.133 0.000 0.978 206 D CA 0.402 54.349 54.000 -0.088 0.000 0.833 206 D CB -0.129 40.618 40.800 -0.089 0.000 0.961 206 D HN 0.115 nan 8.370 nan 0.000 0.470 207 L N 1.277 122.406 121.223 -0.157 0.000 2.123 207 L HA -0.305 4.036 4.340 0.001 0.000 0.217 207 L C 2.104 178.862 176.870 -0.187 0.000 1.081 207 L CA 1.635 56.340 54.840 -0.224 0.000 0.772 207 L CB -0.089 41.863 42.059 -0.178 0.000 0.890 207 L HN 0.064 nan 8.230 nan 0.000 0.437 208 E N -0.790 119.341 120.200 -0.115 0.000 2.038 208 E HA -0.219 4.132 4.350 0.001 0.000 0.195 208 E C 1.834 178.389 176.600 -0.075 0.000 1.000 208 E CA 1.195 57.549 56.400 -0.076 0.000 0.803 208 E CB -0.454 29.218 29.700 -0.047 0.000 0.750 208 E HN 0.677 nan 8.360 nan 0.000 0.448 209 G N 0.953 109.705 108.800 -0.081 0.000 2.956 209 G HA2 0.040 4.000 3.960 0.001 0.000 0.207 209 G HA3 0.040 4.000 3.960 0.001 0.000 0.207 209 G C 0.340 175.196 174.900 -0.073 0.000 1.162 209 G CA -0.281 44.781 45.100 -0.063 0.000 0.796 209 G HN -0.032 nan 8.290 nan 0.000 0.527 210 L N -0.006 121.144 121.223 -0.122 0.000 2.395 210 L HA 0.441 4.782 4.340 0.001 0.000 0.269 210 L C 0.182 177.032 176.870 -0.035 0.000 1.133 210 L CA -0.739 54.010 54.840 -0.152 0.000 0.812 210 L CB 1.168 42.979 42.059 -0.413 0.000 1.125 210 L HN 0.017 nan 8.230 nan 0.000 0.452 211 N N 3.048 121.796 118.700 0.079 0.000 3.131 211 N HA 0.180 4.920 4.740 0.001 0.000 0.312 211 N C -1.297 174.445 175.510 0.387 0.000 1.433 211 N CA -0.399 52.758 53.050 0.178 0.000 1.141 211 N CB 0.117 38.686 38.487 0.136 0.000 1.431 211 N HN 0.406 nan 8.380 nan 0.000 0.523 212 W N 0.913 122.244 121.300 0.051 0.000 2.298 212 W HA 0.432 5.092 4.660 0.001 0.000 0.358 212 W C -1.989 174.559 176.519 0.048 0.000 1.241 212 W CA -2.306 55.074 57.345 0.059 0.000 1.385 212 W CB -0.302 29.191 29.460 0.056 0.000 1.225 212 W HN 0.162 nan 8.180 nan 0.000 0.654 213 P HA 0.147 nan 4.420 nan 0.000 0.286 213 P C 0.466 177.852 177.300 0.143 0.000 1.269 213 P CA -0.193 62.993 63.100 0.144 0.000 0.787 213 P CB 1.181 32.921 31.700 0.067 0.000 0.920 214 E N 2.999 123.266 120.200 0.111 0.000 2.136 214 E HA -0.308 4.042 4.350 0.001 0.000 0.208 214 E C 1.725 178.378 176.600 0.088 0.000 1.035 214 E CA 1.936 58.392 56.400 0.094 0.000 0.838 214 E CB -0.263 29.475 29.700 0.064 0.000 0.748 214 E HN 0.439 nan 8.360 nan 0.000 0.459 215 K N -0.636 119.802 120.400 0.063 0.000 2.163 215 K HA -0.237 4.083 4.320 0.001 0.000 0.210 215 K C 1.657 178.291 176.600 0.058 0.000 1.048 215 K CA 1.879 58.191 56.287 0.043 0.000 0.928 215 K CB -0.005 32.502 32.500 0.011 0.000 0.716 215 K HN 0.111 nan 8.250 nan 0.000 0.459 216 V N -0.002 119.970 119.914 0.097 0.000 2.949 216 V HA -0.047 4.073 4.120 0.001 0.000 0.245 216 V C 1.921 178.139 176.094 0.207 0.000 1.086 216 V CA 0.864 63.246 62.300 0.138 0.000 1.097 216 V CB -0.120 31.791 31.823 0.147 0.000 0.762 216 V HN 0.235 nan 8.190 nan 0.000 0.470 217 K N 1.402 121.938 120.400 0.227 0.000 2.001 217 K HA -0.177 4.143 4.320 0.001 0.000 0.214 217 K C 1.936 178.593 176.600 0.095 0.000 1.050 217 K CA 1.944 58.320 56.287 0.148 0.000 0.934 217 K CB -0.419 32.141 32.500 0.101 0.000 0.718 217 K HN 0.448 nan 8.250 nan 0.000 0.443 218 A N 0.187 123.057 122.820 0.083 0.000 2.276 218 A HA 0.049 4.370 4.320 0.001 0.000 0.212 218 A C 1.634 179.263 177.584 0.074 0.000 1.230 218 A CA 0.581 52.658 52.037 0.067 0.000 0.844 218 A CB -0.324 18.709 19.000 0.055 0.000 0.860 218 A HN 0.235 nan 8.150 nan 0.000 0.486 219 M N -1.859 117.791 119.600 0.083 0.000 2.545 219 M HA -0.013 4.467 4.480 0.001 0.000 0.264 219 M C 2.205 178.582 176.300 0.127 0.000 1.155 219 M CA 0.765 56.118 55.300 0.088 0.000 1.162 219 M CB 0.064 32.693 32.600 0.048 0.000 1.330 219 M HN 0.464 nan 8.290 nan 0.000 0.479 220 Q N 0.007 119.875 119.800 0.115 0.000 2.096 220 Q HA -0.048 4.292 4.340 0.001 0.000 0.197 220 Q C 2.013 178.086 176.000 0.122 0.000 0.964 220 Q CA 0.986 56.867 55.803 0.130 0.000 0.838 220 Q CB 0.019 28.814 28.738 0.095 0.000 0.906 220 Q HN 0.453 nan 8.270 nan 0.000 0.444 221 R N 0.676 121.224 120.500 0.080 0.000 2.112 221 R HA -0.200 4.140 4.340 0.001 0.000 0.242 221 R C 2.295 178.644 176.300 0.081 0.000 1.137 221 R CA 1.643 57.780 56.100 0.061 0.000 0.944 221 R CB -0.519 29.810 30.300 0.048 0.000 0.857 221 R HN 0.210 nan 8.270 nan 0.000 0.435 222 A N 0.705 123.584 122.820 0.098 0.000 1.898 222 A HA -0.188 4.133 4.320 0.001 0.000 0.216 222 A C 1.931 179.585 177.584 0.116 0.000 1.181 222 A CA 1.042 53.136 52.037 0.095 0.000 0.620 222 A CB -0.913 18.144 19.000 0.096 0.000 0.819 222 A HN 0.655 nan 8.150 nan 0.000 0.442 223 W N 0.541 121.833 121.300 -0.015 0.000 2.402 223 W HA -0.123 4.537 4.660 0.001 0.000 0.286 223 W C 1.630 178.137 176.519 -0.021 0.000 1.221 223 W CA 1.523 58.851 57.345 -0.029 0.000 1.257 223 W CB -0.169 29.257 29.460 -0.055 0.000 1.120 223 W HN 0.335 nan 8.180 nan 0.000 0.551 224 I N 1.267 121.884 120.570 0.077 0.000 2.202 224 I HA -0.092 4.078 4.170 0.001 0.000 0.242 224 I C 1.507 177.621 176.117 -0.004 0.000 1.091 224 I CA 1.625 62.908 61.300 -0.029 0.000 1.368 224 I CB -1.166 36.814 38.000 -0.034 0.000 1.058 224 I HN 0.085 nan 8.210 nan 0.000 0.410 225 G N 2.852 111.679 108.800 0.045 0.000 2.381 225 G HA2 -0.307 3.653 3.960 0.001 0.000 0.281 225 G HA3 -0.307 3.653 3.960 0.001 0.000 0.281 225 G C 0.204 175.228 174.900 0.206 0.000 0.984 225 G CA 0.122 45.267 45.100 0.074 0.000 1.339 225 G HN 0.462 nan 8.290 nan 0.000 0.485 226 R N 0.066 120.718 120.500 0.254 0.000 2.641 226 R HA 0.594 4.934 4.340 0.001 0.000 0.269 226 R C 0.016 176.418 176.300 0.169 0.000 1.074 226 R CA 0.333 56.624 56.100 0.318 0.000 1.133 226 R CB 0.731 31.223 30.300 0.321 0.000 1.029 226 R HN 0.522 nan 8.270 nan 0.000 0.488 227 S N 1.462 117.216 115.700 0.091 0.000 2.626 227 S HA 0.181 4.652 4.470 0.001 0.000 0.275 227 S C -1.824 172.875 174.600 0.164 0.000 1.175 227 S CA -0.794 57.508 58.200 0.171 0.000 0.982 227 S CB 1.178 64.585 63.200 0.345 0.000 1.093 227 S HN 0.687 nan 8.310 nan 0.000 0.472 228 E N 2.369 122.666 120.200 0.161 0.000 2.156 228 E HA 0.658 5.009 4.350 0.001 0.000 0.279 228 E C 0.563 177.286 176.600 0.205 0.000 0.965 228 E CA -0.563 55.917 56.400 0.134 0.000 0.789 228 E CB 1.713 31.454 29.700 0.067 0.000 1.098 228 E HN 0.724 nan 8.360 nan 0.000 0.397 229 G N 1.640 110.608 108.800 0.280 0.000 2.818 229 G HA2 0.612 4.572 3.960 0.001 0.000 0.109 229 G HA3 0.612 4.572 3.960 0.001 0.000 0.109 229 G C -1.523 173.511 174.900 0.225 0.000 1.206 229 G CA 0.085 45.309 45.100 0.207 0.000 1.243 229 G HN 0.627 nan 8.290 nan 0.000 0.609 230 A N -0.286 122.680 122.820 0.244 0.000 2.488 230 A HA 0.704 5.025 4.320 0.001 0.000 0.295 230 A C -0.784 176.953 177.584 0.254 0.000 1.045 230 A CA -0.090 52.056 52.037 0.182 0.000 0.703 230 A CB 1.583 20.625 19.000 0.070 0.000 1.271 230 A HN 0.769 nan 8.150 nan 0.000 0.400 231 E N 2.229 122.550 120.200 0.202 0.000 2.343 231 E HA 0.633 4.983 4.350 0.001 0.000 0.269 231 E C -0.954 175.707 176.600 0.102 0.000 1.047 231 E CA -0.284 56.212 56.400 0.160 0.000 0.874 231 E CB 0.655 30.403 29.700 0.080 0.000 1.033 231 E HN 0.554 nan 8.360 nan 0.000 0.409 232 I N 3.802 124.441 120.570 0.116 0.000 2.730 232 I HA 0.275 4.445 4.170 0.001 0.000 0.298 232 I C -0.722 175.456 176.117 0.102 0.000 1.089 232 I CA -1.072 60.272 61.300 0.073 0.000 1.041 232 I CB 1.836 39.874 38.000 0.065 0.000 1.235 232 I HN 0.470 nan 8.210 nan 0.000 0.423 233 L N 4.609 125.830 121.223 -0.002 0.000 2.280 233 L HA 0.455 4.796 4.340 0.001 0.000 0.287 233 L C -1.209 175.623 176.870 -0.062 0.000 1.023 233 L CA -0.410 54.447 54.840 0.029 0.000 0.819 233 L CB 1.048 43.102 42.059 -0.009 0.000 1.212 233 L HN 0.378 nan 8.230 nan 0.000 0.420 234 F N 4.349 124.300 119.950 0.001 0.000 2.361 234 F HA 0.383 4.910 4.527 0.001 0.000 0.364 234 F C -1.891 173.913 175.800 0.007 0.000 1.120 234 F CA -2.276 55.727 58.000 0.004 0.000 1.102 234 F CB 1.089 40.092 39.000 0.005 0.000 1.183 234 F HN 0.250 nan 8.300 nan 0.000 0.476 235 P HA 0.034 nan 4.420 nan 0.000 0.268 235 P C -0.644 176.731 177.300 0.125 0.000 1.204 235 P CA 0.006 63.158 63.100 0.087 0.000 0.768 235 P CB 0.648 32.373 31.700 0.042 0.000 0.842 236 V N 2.913 122.881 119.914 0.092 0.000 2.567 236 V HA 0.134 4.254 4.120 0.001 0.000 0.289 236 V C 0.802 176.942 176.094 0.076 0.000 1.049 236 V CA -0.645 61.709 62.300 0.089 0.000 0.969 236 V CB 0.832 32.689 31.823 0.056 0.000 0.995 236 V HN 0.549 nan 8.190 nan 0.000 0.471 237 E N 2.905 123.162 120.200 0.095 0.000 2.614 237 E HA 0.167 4.518 4.350 0.001 0.000 0.245 237 E C 1.412 178.031 176.600 0.031 0.000 1.039 237 E CA 1.003 57.446 56.400 0.072 0.000 0.948 237 E CB -0.326 29.420 29.700 0.076 0.000 0.937 237 E HN 0.999 nan 8.360 nan 0.000 0.498 238 G N 4.731 113.545 108.800 0.023 0.000 2.746 238 G HA2 -0.415 3.546 3.960 0.001 0.000 0.236 238 G HA3 -0.415 3.546 3.960 0.001 0.000 0.236 238 G C 0.409 175.313 174.900 0.008 0.000 1.172 238 G CA 0.715 45.820 45.100 0.009 0.000 0.736 238 G HN 0.579 nan 8.290 nan 0.000 0.519 239 K N 1.164 121.570 120.400 0.011 0.000 2.344 239 K HA 0.252 4.573 4.320 0.001 0.000 0.260 239 K C 1.561 178.167 176.600 0.011 0.000 0.988 239 K CA 0.629 56.921 56.287 0.008 0.000 0.909 239 K CB 0.263 32.768 32.500 0.008 0.000 0.968 239 K HN 0.518 nan 8.250 nan 0.000 0.505 240 E N 0.462 120.666 120.200 0.007 0.000 2.028 240 E HA -0.095 4.256 4.350 0.001 0.000 0.190 240 E C 0.867 177.473 176.600 0.010 0.000 0.984 240 E CA 0.417 56.821 56.400 0.005 0.000 0.800 240 E CB -0.148 29.553 29.700 0.001 0.000 0.758 240 E HN 0.263 nan 8.360 nan 0.000 0.448 241 V N 1.001 120.923 119.914 0.014 0.000 3.237 241 V HA 0.052 4.173 4.120 0.001 0.000 0.305 241 V C 0.283 176.395 176.094 0.030 0.000 1.096 241 V CA -0.064 62.248 62.300 0.020 0.000 1.130 241 V CB 0.932 32.769 31.823 0.023 0.000 1.048 241 V HN 0.147 nan 8.190 nan 0.000 0.484 242 R N 3.776 124.298 120.500 0.036 0.000 2.810 242 R HA 0.689 5.030 4.340 0.001 0.000 0.245 242 R C -1.003 175.341 176.300 0.074 0.000 1.168 242 R CA -0.844 55.288 56.100 0.054 0.000 1.096 242 R CB 1.467 31.788 30.300 0.036 0.000 1.259 242 R HN 0.605 nan 8.270 nan 0.000 0.518 243 I N 2.461 123.102 120.570 0.117 0.000 2.512 243 I HA 0.302 4.473 4.170 0.001 0.000 0.287 243 I C -2.440 173.780 176.117 0.172 0.000 1.069 243 I CA -2.320 59.049 61.300 0.115 0.000 1.056 243 I CB 2.811 40.845 38.000 0.056 0.000 1.229 243 I HN 0.299 nan 8.210 nan 0.000 0.429 244 P HA 0.311 nan 4.420 nan 0.000 0.288 244 P C -1.129 176.261 177.300 0.150 0.000 1.267 244 P CA -0.385 62.803 63.100 0.147 0.000 0.815 244 P CB 1.840 33.607 31.700 0.111 0.000 0.989 245 V N 1.003 121.021 119.914 0.174 0.000 2.623 245 V HA 0.543 4.664 4.120 0.001 0.000 0.304 245 V C -0.826 175.370 176.094 0.171 0.000 1.054 245 V CA -1.053 61.331 62.300 0.139 0.000 0.882 245 V CB 1.525 33.403 31.823 0.092 0.000 1.002 245 V HN 0.353 nan 8.190 nan 0.000 0.424 246 F N 3.644 123.579 119.950 -0.026 0.000 2.412 246 F HA 0.779 5.307 4.527 0.001 0.000 0.348 246 F C 0.336 176.121 175.800 -0.025 0.000 1.102 246 F CA 0.334 58.300 58.000 -0.057 0.000 1.196 246 F CB 1.497 40.404 39.000 -0.153 0.000 1.144 246 F HN 0.921 nan 8.300 nan 0.000 0.541 247 T N 3.466 117.586 114.554 -0.722 0.000 2.991 247 T HA 0.276 4.627 4.350 0.001 0.000 0.303 247 T C 0.467 174.708 174.700 -0.764 0.000 1.015 247 T CA 0.058 61.779 62.100 -0.632 0.000 1.007 247 T CB 0.903 69.631 68.868 -0.232 0.000 1.034 247 T HN 0.817 nan 8.240 nan 0.000 0.446 248 T N 1.916 116.085 114.554 -0.640 0.000 3.107 248 T HA 0.297 4.647 4.350 0.001 0.000 0.249 248 T C 0.789 175.377 174.700 -0.187 0.000 1.096 248 T CA -0.112 61.777 62.100 -0.352 0.000 1.012 248 T CB 0.075 68.811 68.868 -0.219 0.000 0.977 248 T HN 0.365 nan 8.240 nan 0.000 0.527 249 R N 1.761 122.155 120.500 -0.178 0.000 2.681 249 R HA 0.292 4.633 4.340 0.001 0.000 0.277 249 R C -2.436 173.805 176.300 -0.097 0.000 1.563 249 R CA -1.831 54.199 56.100 -0.117 0.000 1.673 249 R CB 1.186 31.431 30.300 -0.092 0.000 1.258 249 R HN 0.269 nan 8.270 nan 0.000 0.650 250 P HA -0.031 nan 4.420 nan 0.000 0.245 250 P C 0.245 177.508 177.300 -0.062 0.000 1.212 250 P CA 0.522 63.586 63.100 -0.060 0.000 0.774 250 P CB 0.325 31.997 31.700 -0.046 0.000 0.999 251 D N -0.203 120.145 120.400 -0.087 0.000 2.350 251 D HA -0.094 4.547 4.640 0.001 0.000 0.216 251 D C 1.097 177.350 176.300 -0.080 0.000 0.968 251 D CA 1.137 55.064 54.000 -0.121 0.000 0.894 251 D CB -1.404 39.319 40.800 -0.130 0.000 0.909 251 D HN 0.237 nan 8.370 nan 0.000 0.520 252 T N -2.206 112.336 114.554 -0.020 0.000 3.186 252 T HA 0.181 4.532 4.350 0.001 0.000 0.257 252 T C 1.561 176.313 174.700 0.087 0.000 1.029 252 T CA -0.486 61.652 62.100 0.064 0.000 0.916 252 T CB -0.150 68.787 68.868 0.115 0.000 1.041 252 T HN -0.026 nan 8.240 nan 0.000 0.562 253 L N 0.932 122.197 121.223 0.071 0.000 1.990 253 L HA 0.071 4.411 4.340 0.001 0.000 0.213 253 L C 1.715 178.614 176.870 0.048 0.000 1.072 253 L CA 1.869 56.746 54.840 0.062 0.000 0.755 253 L CB -0.920 41.158 42.059 0.032 0.000 0.889 253 L HN 0.292 nan 8.230 nan 0.000 0.432 254 F N -0.219 119.710 119.950 -0.035 0.000 2.664 254 F HA 0.011 4.539 4.527 0.001 0.000 0.297 254 F C 2.072 177.890 175.800 0.029 0.000 1.164 254 F CA 0.982 58.978 58.000 -0.005 0.000 1.472 254 F CB -0.672 38.307 39.000 -0.034 0.000 1.108 254 F HN 0.238 nan 8.300 nan 0.000 0.596 255 G N -0.815 108.084 108.800 0.165 0.000 3.575 255 G HA2 0.411 4.371 3.960 0.001 0.000 0.273 255 G HA3 0.411 4.371 3.960 0.001 0.000 0.273 255 G C 0.129 175.055 174.900 0.042 0.000 1.053 255 G CA 0.126 45.291 45.100 0.109 0.000 0.803 255 G HN 0.276 nan 8.290 nan 0.000 0.528 256 A N 1.144 123.986 122.820 0.036 0.000 2.376 256 A HA 0.500 4.821 4.320 0.001 0.000 0.298 256 A C 1.456 179.038 177.584 -0.004 0.000 1.271 256 A CA 0.441 52.470 52.037 -0.013 0.000 0.926 256 A CB 0.069 19.114 19.000 0.075 0.000 1.141 256 A HN 0.354 nan 8.150 nan 0.000 0.539 257 T N -0.503 114.019 114.554 -0.053 0.000 3.086 257 T HA 0.467 4.818 4.350 0.001 0.000 0.250 257 T C 0.068 174.921 174.700 0.255 0.000 1.074 257 T CA 0.483 62.645 62.100 0.104 0.000 0.988 257 T CB -0.800 68.183 68.868 0.192 0.000 0.988 257 T HN 1.203 nan 8.240 nan 0.000 0.530 258 F N -1.125 118.809 119.950 -0.026 0.000 2.842 258 F HA 0.652 5.180 4.527 0.001 0.000 0.319 258 F C -2.195 173.532 175.800 -0.121 0.000 1.159 258 F CA -2.010 55.959 58.000 -0.051 0.000 0.902 258 F CB 0.670 39.651 39.000 -0.033 0.000 1.311 258 F HN -0.163 nan 8.300 nan 0.000 0.453 259 L N 1.835 123.077 121.223 0.032 0.000 2.334 259 L HA 0.924 5.265 4.340 0.001 0.000 0.270 259 L C -0.942 176.006 176.870 0.131 0.000 1.018 259 L CA -1.530 53.222 54.840 -0.147 0.000 0.811 259 L CB 1.996 43.855 42.059 -0.334 0.000 1.271 259 L HN 0.590 nan 8.230 nan 0.000 0.443 260 V N 2.386 122.304 119.914 0.007 0.000 2.567 260 V HA 0.385 4.506 4.120 0.001 0.000 0.298 260 V C -0.156 175.893 176.094 -0.074 0.000 1.047 260 V CA -0.546 61.782 62.300 0.046 0.000 0.880 260 V CB 1.673 33.495 31.823 -0.002 0.000 1.009 260 V HN 0.506 nan 8.190 nan 0.000 0.429 261 L N 3.203 124.387 121.223 -0.065 0.000 2.399 261 L HA 0.743 5.084 4.340 0.001 0.000 0.266 261 L C 0.981 177.820 176.870 -0.051 0.000 1.114 261 L CA -0.438 54.340 54.840 -0.103 0.000 0.804 261 L CB 1.199 43.144 42.059 -0.190 0.000 1.146 261 L HN 0.796 nan 8.230 nan 0.000 0.451 262 A N 2.889 125.699 122.820 -0.015 0.000 2.462 262 A HA 0.290 4.611 4.320 0.001 0.000 0.243 262 A C -1.621 175.947 177.584 -0.027 0.000 1.076 262 A CA -1.086 50.945 52.037 -0.010 0.000 0.773 262 A CB -0.004 19.028 19.000 0.053 0.000 1.010 262 A HN 0.608 nan 8.150 nan 0.000 0.493 263 P HA -0.142 nan 4.420 nan 0.000 0.218 263 P C 0.162 177.438 177.300 -0.041 0.000 1.146 263 P CA 1.466 64.579 63.100 0.022 0.000 0.813 263 P CB 0.165 31.871 31.700 0.010 0.000 0.778 264 E N -2.200 117.937 120.200 -0.105 0.000 2.511 264 E HA 0.055 4.406 4.350 0.001 0.000 0.214 264 E C 0.161 176.384 176.600 -0.628 0.000 1.062 264 E CA -0.211 56.072 56.400 -0.195 0.000 1.213 264 E CB -0.784 28.904 29.700 -0.020 0.000 1.214 264 E HN 0.320 nan 8.360 nan 0.000 0.441 265 H N 0.879 119.590 119.070 -0.599 0.000 2.683 265 H HA 0.077 4.633 4.556 0.001 0.000 0.339 265 H C -1.599 173.517 175.328 -0.354 0.000 1.081 265 H CA -2.005 53.653 56.048 -0.651 0.000 1.432 265 H CB 1.311 30.847 29.762 -0.377 0.000 1.462 265 H HN -0.046 nan 8.280 nan 0.000 0.557 266 P HA -0.105 nan 4.420 nan 0.000 0.222 266 P C 0.974 178.316 177.300 0.069 0.000 1.142 266 P CA 1.135 64.213 63.100 -0.038 0.000 0.788 266 P CB 0.186 31.855 31.700 -0.052 0.000 0.767 267 L N -2.808 118.534 121.223 0.198 0.000 2.693 267 L HA 0.132 4.472 4.340 0.001 0.000 0.235 267 L C 1.700 178.544 176.870 -0.044 0.000 1.127 267 L CA 0.300 55.166 54.840 0.042 0.000 0.914 267 L CB -0.617 41.422 42.059 -0.034 0.000 1.193 267 L HN -0.080 nan 8.230 nan 0.000 0.502 268 T N 0.267 114.802 114.554 -0.031 0.000 2.812 268 T HA -0.042 4.309 4.350 0.001 0.000 0.264 268 T C 1.934 176.600 174.700 -0.057 0.000 1.042 268 T CA 1.087 63.154 62.100 -0.056 0.000 1.140 268 T CB 0.066 68.915 68.868 -0.031 0.000 0.870 268 T HN 0.190 nan 8.240 nan 0.000 0.445 269 L N 0.502 121.702 121.223 -0.040 0.000 2.127 269 L HA 0.085 4.425 4.340 0.001 0.000 0.203 269 L C 2.766 179.610 176.870 -0.044 0.000 1.080 269 L CA 1.089 55.904 54.840 -0.041 0.000 0.768 269 L CB -0.466 41.577 42.059 -0.027 0.000 0.924 269 L HN 0.306 nan 8.230 nan 0.000 0.444 270 E N 0.467 120.647 120.200 -0.034 0.000 2.209 270 E HA -0.219 4.131 4.350 0.001 0.000 0.196 270 E C 2.100 178.676 176.600 -0.041 0.000 0.993 270 E CA 1.074 57.457 56.400 -0.029 0.000 0.819 270 E CB 0.181 29.873 29.700 -0.013 0.000 0.745 270 E HN 0.457 nan 8.360 nan 0.000 0.477 271 L N -0.331 120.857 121.223 -0.058 0.000 2.362 271 L HA 0.250 4.590 4.340 0.001 0.000 0.204 271 L C 1.018 177.827 176.870 -0.102 0.000 1.060 271 L CA 0.141 54.938 54.840 -0.071 0.000 0.827 271 L CB 0.061 42.074 42.059 -0.076 0.000 1.027 271 L HN -0.045 nan 8.230 nan 0.000 0.474 272 A N 1.736 124.479 122.820 -0.127 0.000 2.526 272 A HA 0.415 4.735 4.320 0.001 0.000 0.287 272 A C 0.768 178.269 177.584 -0.137 0.000 1.232 272 A CA 0.133 52.065 52.037 -0.175 0.000 0.900 272 A CB -0.711 18.185 19.000 -0.174 0.000 1.077 272 A HN 0.282 nan 8.150 nan 0.000 0.535 273 A N 4.896 127.632 122.820 -0.141 0.000 2.409 273 A HA 0.455 4.776 4.320 0.001 0.000 0.246 273 A C -0.816 176.714 177.584 -0.089 0.000 1.099 273 A CA -0.586 51.392 52.037 -0.099 0.000 0.789 273 A CB -0.262 18.685 19.000 -0.088 0.000 1.053 273 A HN 0.575 nan 8.150 nan 0.000 0.503 274 P HA -0.124 nan 4.420 nan 0.000 0.216 274 P C 0.896 178.165 177.300 -0.052 0.000 1.153 274 P CA 1.555 64.624 63.100 -0.052 0.000 0.848 274 P CB 0.036 31.712 31.700 -0.039 0.000 0.787 275 E N -0.051 120.117 120.200 -0.052 0.000 2.136 275 E HA -0.221 4.130 4.350 0.001 0.000 0.202 275 E C 1.802 178.365 176.600 -0.062 0.000 1.019 275 E CA 1.532 57.903 56.400 -0.048 0.000 0.819 275 E CB -0.455 29.220 29.700 -0.041 0.000 0.739 275 E HN 0.243 nan 8.360 nan 0.000 0.458 276 K N -0.260 120.083 120.400 -0.095 0.000 2.284 276 K HA 0.115 4.435 4.320 0.001 0.000 0.198 276 K C 1.992 178.525 176.600 -0.112 0.000 1.048 276 K CA 0.220 56.430 56.287 -0.129 0.000 0.987 276 K CB -0.013 32.352 32.500 -0.224 0.000 0.800 276 K HN -0.073 nan 8.250 nan 0.000 0.486 277 R N 2.407 122.851 120.500 -0.092 0.000 2.168 277 R HA -0.235 4.106 4.340 0.001 0.000 0.242 277 R C 2.016 178.289 176.300 -0.046 0.000 1.123 277 R CA 2.352 58.412 56.100 -0.067 0.000 0.928 277 R CB -0.627 29.642 30.300 -0.052 0.000 0.873 277 R HN 0.349 nan 8.270 nan 0.000 0.434 278 E N -0.545 119.633 120.200 -0.036 0.000 2.197 278 E HA -0.310 4.041 4.350 0.001 0.000 0.205 278 E C 1.685 178.279 176.600 -0.010 0.000 1.029 278 E CA 2.071 58.459 56.400 -0.020 0.000 0.828 278 E CB -0.097 29.592 29.700 -0.018 0.000 0.737 278 E HN 0.600 nan 8.360 nan 0.000 0.464 279 E N -1.047 119.138 120.200 -0.024 0.000 2.201 279 E HA -0.042 4.308 4.350 0.001 0.000 0.193 279 E C 2.060 178.659 176.600 -0.002 0.000 0.957 279 E CA 0.350 56.742 56.400 -0.014 0.000 0.858 279 E CB 0.455 30.130 29.700 -0.043 0.000 0.816 279 E HN 0.108 nan 8.360 nan 0.000 0.475 280 V N 2.081 121.973 119.914 -0.037 0.000 2.261 280 V HA -0.273 3.848 4.120 0.001 0.000 0.246 280 V C 2.521 178.648 176.094 0.055 0.000 1.047 280 V CA 1.741 64.032 62.300 -0.014 0.000 1.015 280 V CB -0.540 31.240 31.823 -0.072 0.000 0.642 280 V HN 0.369 nan 8.190 nan 0.000 0.446 281 L N 0.668 121.904 121.223 0.021 0.000 1.997 281 L HA -0.260 4.081 4.340 0.001 0.000 0.216 281 L C 2.314 179.217 176.870 0.056 0.000 1.074 281 L CA 2.384 57.240 54.840 0.028 0.000 0.763 281 L CB -0.502 41.562 42.059 0.008 0.000 0.890 281 L HN 0.315 nan 8.230 nan 0.000 0.434 282 A N -2.100 120.760 122.820 0.067 0.000 2.216 282 A HA -0.202 4.119 4.320 0.001 0.000 0.214 282 A C 1.927 179.598 177.584 0.145 0.000 1.160 282 A CA 1.147 53.234 52.037 0.083 0.000 0.725 282 A CB -0.806 18.236 19.000 0.070 0.000 0.784 282 A HN 0.749 nan 8.150 nan 0.000 0.472 283 Y N -0.933 119.374 120.300 0.013 0.000 2.301 283 Y HA -0.039 4.512 4.550 0.001 0.000 0.295 283 Y C 2.260 178.177 175.900 0.029 0.000 1.119 283 Y CA 1.171 59.288 58.100 0.029 0.000 1.162 283 Y CB 0.215 38.691 38.460 0.027 0.000 1.046 283 Y HN 0.088 nan 8.280 nan 0.000 0.538 284 V N 0.944 120.883 119.914 0.042 0.000 2.233 284 V HA -0.343 3.777 4.120 0.001 0.000 0.247 284 V C 1.763 177.827 176.094 -0.051 0.000 1.050 284 V CA 2.476 64.754 62.300 -0.036 0.000 1.010 284 V CB -0.581 31.247 31.823 0.009 0.000 0.637 284 V HN 0.418 nan 8.190 nan 0.000 0.444 285 E N -0.257 119.935 120.200 -0.013 0.000 2.472 285 E HA -0.058 4.293 4.350 0.001 0.000 0.200 285 E C 1.964 178.555 176.600 -0.016 0.000 1.046 285 E CA 0.839 57.234 56.400 -0.009 0.000 0.871 285 E CB -0.148 29.555 29.700 0.005 0.000 0.806 285 E HN 0.624 nan 8.360 nan 0.000 0.533 286 A N 0.660 123.459 122.820 -0.034 0.000 2.044 286 A HA 0.279 4.600 4.320 0.001 0.000 0.213 286 A C 2.144 179.671 177.584 -0.095 0.000 1.169 286 A CA 0.737 52.752 52.037 -0.037 0.000 0.724 286 A CB 0.189 19.192 19.000 0.005 0.000 0.840 286 A HN 0.232 nan 8.150 nan 0.000 0.463 287 A N -0.154 122.552 122.820 -0.190 0.000 2.147 287 A HA 0.121 4.442 4.320 0.001 0.000 0.211 287 A C 1.945 179.480 177.584 -0.083 0.000 1.160 287 A CA 1.264 53.181 52.037 -0.200 0.000 0.781 287 A CB -0.210 18.559 19.000 -0.385 0.000 0.842 287 A HN 0.462 nan 8.150 nan 0.000 0.475 288 K N -0.034 120.334 120.400 -0.053 0.000 2.076 288 K HA -0.024 4.296 4.320 0.001 0.000 0.204 288 K C 2.129 178.736 176.600 0.011 0.000 1.051 288 K CA 0.986 57.271 56.287 -0.004 0.000 0.949 288 K CB -0.187 32.315 32.500 0.003 0.000 0.726 288 K HN 0.324 nan 8.250 nan 0.000 0.443 289 R N 1.252 121.753 120.500 0.002 0.000 2.189 289 R HA -0.022 4.319 4.340 0.001 0.000 0.223 289 R C 0.307 176.621 176.300 0.022 0.000 1.092 289 R CA 0.611 56.720 56.100 0.014 0.000 0.989 289 R CB 0.100 30.405 30.300 0.009 0.000 0.876 289 R HN -0.029 nan 8.270 nan 0.000 0.457 290 K N 1.730 122.139 120.400 0.014 0.000 2.349 290 K HA -0.008 4.313 4.320 0.001 0.000 0.288 290 K C -0.396 176.229 176.600 0.042 0.000 1.058 290 K CA 0.070 56.372 56.287 0.025 0.000 0.953 290 K CB 0.827 33.333 32.500 0.011 0.000 0.997 290 K HN 0.069 nan 8.250 nan 0.000 0.477 291 T N 0.442 115.028 114.554 0.053 0.000 2.849 291 T HA 0.197 4.548 4.350 0.001 0.000 0.276 291 T C 0.861 175.603 174.700 0.070 0.000 0.971 291 T CA -0.676 61.465 62.100 0.068 0.000 0.949 291 T CB 1.113 70.026 68.868 0.075 0.000 1.093 291 T HN 0.524 nan 8.240 nan 0.000 0.545 292 E N -0.068 120.180 120.200 0.080 0.000 2.511 292 E HA 0.118 4.469 4.350 0.001 0.000 0.196 292 E C 1.523 178.166 176.600 0.073 0.000 1.066 292 E CA 0.220 56.667 56.400 0.080 0.000 0.871 292 E CB -0.116 29.639 29.700 0.092 0.000 0.863 292 E HN 0.654 nan 8.360 nan 0.000 0.520 293 I N -0.205 120.406 120.570 0.068 0.000 2.927 293 I HA -0.085 4.086 4.170 0.001 0.000 0.268 293 I C 1.922 178.072 176.117 0.055 0.000 1.153 293 I CA 0.335 61.671 61.300 0.060 0.000 1.459 293 I CB -0.034 38.000 38.000 0.057 0.000 1.149 293 I HN -0.044 nan 8.210 nan 0.000 0.443 294 E N 1.258 121.490 120.200 0.055 0.000 2.110 294 E HA -0.169 4.182 4.350 0.001 0.000 0.193 294 E C 2.252 178.885 176.600 0.056 0.000 0.988 294 E CA 0.893 57.324 56.400 0.051 0.000 0.804 294 E CB -0.026 29.703 29.700 0.049 0.000 0.745 294 E HN 0.375 nan 8.360 nan 0.000 0.458 295 R N 0.447 120.983 120.500 0.059 0.000 2.081 295 R HA -0.118 4.223 4.340 0.001 0.000 0.235 295 R C 2.258 178.598 176.300 0.067 0.000 1.131 295 R CA 1.125 57.264 56.100 0.065 0.000 0.960 295 R CB -0.021 30.319 30.300 0.067 0.000 0.856 295 R HN 0.195 nan 8.270 nan 0.000 0.436 296 Q N -0.524 119.313 119.800 0.062 0.000 2.302 296 Q HA 0.098 4.438 4.340 0.001 0.000 0.202 296 Q C 1.876 177.908 176.000 0.053 0.000 0.936 296 Q CA 0.955 56.793 55.803 0.058 0.000 0.886 296 Q CB 0.141 28.913 28.738 0.056 0.000 0.986 296 Q HN 0.265 nan 8.270 nan 0.000 0.487 297 A N 1.223 124.074 122.820 0.051 0.000 2.121 297 A HA -0.121 4.200 4.320 0.001 0.000 0.218 297 A C 1.676 179.289 177.584 0.047 0.000 1.154 297 A CA 0.823 52.887 52.037 0.045 0.000 0.679 297 A CB -0.158 18.867 19.000 0.042 0.000 0.795 297 A HN 0.276 nan 8.150 nan 0.000 0.458 298 E N -0.854 119.379 120.200 0.055 0.000 2.489 298 E HA 0.320 4.670 4.350 0.001 0.000 0.193 298 E C 1.059 177.696 176.600 0.061 0.000 1.057 298 E CA 0.143 56.579 56.400 0.060 0.000 0.866 298 E CB -0.059 29.684 29.700 0.072 0.000 0.916 298 E HN 0.681 nan 8.360 nan 0.000 0.500 299 G N 2.310 111.144 108.800 0.057 0.000 2.741 299 G HA2 -0.356 3.605 3.960 0.001 0.000 0.222 299 G HA3 -0.356 3.605 3.960 0.001 0.000 0.222 299 G C 0.140 175.077 174.900 0.062 0.000 1.364 299 G CA -0.088 45.044 45.100 0.053 0.000 0.866 299 G HN 0.395 nan 8.290 nan 0.000 0.555 300 R N 0.006 120.538 120.500 0.054 0.000 2.535 300 R HA 0.230 4.571 4.340 0.001 0.000 0.233 300 R C 0.150 176.485 176.300 0.059 0.000 1.202 300 R CA 0.285 56.418 56.100 0.055 0.000 1.205 300 R CB 0.158 30.483 30.300 0.040 0.000 1.153 300 R HN 0.360 nan 8.270 nan 0.000 0.512 301 E N 2.377 122.623 120.200 0.076 0.000 2.292 301 E HA 0.011 4.362 4.350 0.001 0.000 0.265 301 E C -0.688 176.001 176.600 0.149 0.000 1.093 301 E CA 0.222 56.679 56.400 0.095 0.000 0.922 301 E CB 0.703 30.460 29.700 0.095 0.000 1.001 301 E HN 0.079 nan 8.360 nan 0.000 0.444 302 K N 1.992 122.489 120.400 0.163 0.000 2.412 302 K HA 0.125 4.446 4.320 0.001 0.000 0.284 302 K C -0.367 176.533 176.600 0.501 0.000 1.046 302 K CA 0.310 56.771 56.287 0.290 0.000 0.999 302 K CB 0.634 33.326 32.500 0.320 0.000 0.941 302 K HN 0.254 nan 8.250 nan 0.000 0.474 303 T N 0.598 115.481 114.554 0.549 0.000 2.907 303 T HA 0.868 5.218 4.350 0.001 0.000 0.292 303 T C -0.197 174.855 174.700 0.586 0.000 1.043 303 T CA -0.783 61.684 62.100 0.612 0.000 1.003 303 T CB 2.051 71.211 68.868 0.487 0.000 1.084 303 T HN 0.623 nan 8.240 nan 0.000 0.483 304 G N -0.273 108.715 108.800 0.313 0.000 2.340 304 G HA2 0.566 4.526 3.960 0.001 0.000 0.299 304 G HA3 0.566 4.526 3.960 0.001 0.000 0.299 304 G C -2.228 172.436 174.900 -0.394 0.000 1.291 304 G CA -0.481 44.554 45.100 -0.108 0.000 0.841 304 G HN 0.805 nan 8.290 nan 0.000 0.500 305 V N -0.080 119.613 119.914 -0.368 0.000 3.098 305 V HA 0.506 4.627 4.120 0.001 0.000 0.294 305 V C -1.391 174.342 176.094 -0.603 0.000 1.351 305 V CA -0.773 61.259 62.300 -0.446 0.000 0.999 305 V CB 2.115 33.657 31.823 -0.469 0.000 1.104 305 V HN 0.988 nan 8.190 nan 0.000 0.438 306 F N 3.448 122.634 119.950 -1.273 0.000 2.443 306 F HA 0.445 4.973 4.527 0.001 0.000 0.353 306 F C 0.975 176.355 175.800 -0.700 0.000 1.101 306 F CA -0.364 56.716 58.000 -1.533 0.000 1.226 306 F CB 0.808 38.880 39.000 -1.547 0.000 1.140 306 F HN 0.454 nan 8.300 nan 0.000 0.557 307 L N 4.455 125.085 121.223 -0.988 0.000 2.072 307 L HA 0.068 4.409 4.340 0.001 0.000 0.205 307 L C 1.430 177.681 176.870 -1.031 0.000 1.079 307 L CA 0.993 55.366 54.840 -0.778 0.000 0.752 307 L CB -0.934 40.840 42.059 -0.475 0.000 0.906 307 L HN 0.994 nan 8.230 nan 0.000 0.436 308 G N 0.329 107.919 108.800 -2.017 0.000 2.452 308 G HA2 0.044 4.005 3.960 0.001 0.000 0.275 308 G HA3 0.044 4.005 3.960 0.001 0.000 0.275 308 G C -0.172 174.476 174.900 -0.421 0.000 1.131 308 G CA 0.011 44.422 45.100 -1.149 0.000 1.031 308 G HN 0.693 nan 8.290 nan 0.000 0.511 309 A N -0.496 122.172 122.820 -0.254 0.000 2.582 309 A HA 0.759 5.080 4.320 0.001 0.000 0.297 309 A C -0.678 177.077 177.584 0.286 0.000 1.059 309 A CA -0.724 51.370 52.037 0.094 0.000 0.705 309 A CB 1.038 20.015 19.000 -0.039 0.000 1.279 309 A HN 0.876 nan 8.150 nan 0.000 0.404 310 Y N 0.314 120.652 120.300 0.063 0.000 2.564 310 Y HA 0.825 5.375 4.550 0.001 0.000 0.347 310 Y C 0.903 176.865 175.900 0.103 0.000 1.284 310 Y CA -0.565 57.611 58.100 0.127 0.000 1.449 310 Y CB 1.240 39.772 38.460 0.120 0.000 1.606 310 Y HN 1.337 nan 8.280 nan 0.000 0.594 311 A N 0.205 123.194 122.820 0.281 0.000 2.512 311 A HA 0.455 4.776 4.320 0.001 0.000 0.294 311 A C -1.709 176.028 177.584 0.254 0.000 1.054 311 A CA -0.783 51.393 52.037 0.231 0.000 0.756 311 A CB 0.368 19.483 19.000 0.191 0.000 1.293 311 A HN 0.638 nan 8.150 nan 0.000 0.395 312 L N 2.425 123.774 121.223 0.209 0.000 2.513 312 L HA 0.046 4.386 4.340 0.001 0.000 0.272 312 L C 0.604 177.590 176.870 0.193 0.000 1.187 312 L CA -0.270 54.668 54.840 0.164 0.000 0.895 312 L CB 0.281 42.396 42.059 0.095 0.000 1.147 312 L HN 0.759 nan 8.230 nan 0.000 0.483 313 N N 6.696 125.495 118.700 0.166 0.000 2.420 313 N HA 0.099 4.839 4.740 0.001 0.000 0.262 313 N C -1.582 173.865 175.510 -0.105 0.000 1.144 313 N CA -1.846 51.264 53.050 0.100 0.000 0.952 313 N CB 1.209 39.761 38.487 0.108 0.000 1.081 313 N HN 0.288 nan 8.380 nan 0.000 0.480 314 P HA -0.047 nan 4.420 nan 0.000 0.230 314 P C 0.606 177.853 177.300 -0.089 0.000 1.158 314 P CA 0.533 63.513 63.100 -0.200 0.000 0.769 314 P CB 0.300 31.809 31.700 -0.318 0.000 0.807 315 A N 1.192 123.845 122.820 -0.277 0.000 1.821 315 A HA -0.091 4.229 4.320 0.001 0.000 0.215 315 A C 2.110 179.352 177.584 -0.569 0.000 1.214 315 A CA 2.574 54.198 52.037 -0.688 0.000 0.608 315 A CB -1.731 16.554 19.000 -1.192 0.000 0.862 315 A HN 0.327 nan 8.150 nan 0.000 0.448 316 T N -4.090 110.228 114.554 -0.394 0.000 3.206 316 T HA 0.432 4.782 4.350 0.001 0.000 0.253 316 T C 1.339 176.037 174.700 -0.003 0.000 1.042 316 T CA 0.994 63.025 62.100 -0.115 0.000 0.931 316 T CB 0.019 68.865 68.868 -0.037 0.000 1.029 316 T HN 1.830 nan 8.240 nan 0.000 0.564 317 G N 2.071 110.869 108.800 -0.004 0.000 2.382 317 G HA2 -0.380 3.580 3.960 0.001 0.000 0.259 317 G HA3 -0.380 3.580 3.960 0.001 0.000 0.259 317 G C 0.115 175.044 174.900 0.048 0.000 1.009 317 G CA 0.743 45.863 45.100 0.033 0.000 0.625 317 G HN 1.050 nan 8.290 nan 0.000 0.541 318 E N 0.733 120.965 120.200 0.053 0.000 2.397 318 E HA 0.521 4.872 4.350 0.001 0.000 0.254 318 E C 0.267 176.939 176.600 0.120 0.000 1.231 318 E CA -0.777 55.673 56.400 0.084 0.000 0.954 318 E CB 0.566 30.315 29.700 0.081 0.000 1.024 318 E HN 0.492 nan 8.360 nan 0.000 0.481 319 R N 0.527 121.121 120.500 0.156 0.000 2.441 319 R HA 0.460 4.801 4.340 0.001 0.000 0.284 319 R C -0.245 176.173 176.300 0.198 0.000 1.070 319 R CA -0.281 55.957 56.100 0.230 0.000 1.047 319 R CB 0.488 30.994 30.300 0.344 0.000 1.016 319 R HN 0.547 nan 8.270 nan 0.000 0.477 320 I N -1.021 119.657 120.570 0.179 0.000 2.607 320 I HA 0.525 4.696 4.170 0.001 0.000 0.290 320 I C -2.700 173.429 176.117 0.020 0.000 1.129 320 I CA -3.056 58.304 61.300 0.101 0.000 1.042 320 I CB 2.539 40.624 38.000 0.143 0.000 1.242 320 I HN 0.385 nan 8.210 nan 0.000 0.421 321 P HA 0.352 nan 4.420 nan 0.000 0.274 321 P C -0.773 176.671 177.300 0.240 0.000 1.260 321 P CA -0.055 62.984 63.100 -0.102 0.000 0.793 321 P CB 1.133 32.718 31.700 -0.192 0.000 1.048 322 I N -0.472 120.329 120.570 0.385 0.000 2.466 322 I HA 0.350 4.520 4.170 0.001 0.000 0.289 322 I C -0.477 175.875 176.117 0.392 0.000 1.026 322 I CA -0.479 61.008 61.300 0.312 0.000 1.078 322 I CB 1.457 39.508 38.000 0.084 0.000 1.249 322 I HN 0.310 nan 8.210 nan 0.000 0.429 323 W N 3.360 124.754 121.300 0.157 0.000 2.804 323 W HA 0.645 5.306 4.660 0.001 0.000 0.352 323 W C 0.180 176.718 176.519 0.031 0.000 1.153 323 W CA -0.531 56.899 57.345 0.142 0.000 1.119 323 W CB 1.603 31.168 29.460 0.174 0.000 1.448 323 W HN 0.187 nan 8.180 nan 0.000 0.600 324 T N 0.759 115.468 114.554 0.259 0.000 2.876 324 T HA 0.812 5.163 4.350 0.001 0.000 0.289 324 T C -1.439 173.404 174.700 0.238 0.000 1.014 324 T CA -0.473 61.728 62.100 0.169 0.000 0.986 324 T CB 0.736 69.671 68.868 0.112 0.000 1.021 324 T HN 0.691 nan 8.240 nan 0.000 0.458 325 A N 3.196 126.126 122.820 0.183 0.000 2.566 325 A HA 0.552 4.873 4.320 0.001 0.000 0.297 325 A C 0.187 177.853 177.584 0.136 0.000 1.059 325 A CA -0.551 51.628 52.037 0.238 0.000 0.691 325 A CB 1.313 20.317 19.000 0.007 0.000 1.282 325 A HN 0.855 nan 8.150 nan 0.000 0.401 326 D N 0.164 120.714 120.400 0.250 0.000 2.363 326 D HA -0.126 4.514 4.640 0.001 0.000 0.226 326 D C 0.707 177.078 176.300 0.118 0.000 1.020 326 D CA 1.176 55.244 54.000 0.112 0.000 0.892 326 D CB -0.492 40.338 40.800 0.051 0.000 0.900 326 D HN 0.712 nan 8.370 nan 0.000 0.531 327 Y N -0.302 120.012 120.300 0.022 0.000 2.546 327 Y HA 0.316 4.867 4.550 0.001 0.000 0.287 327 Y C -0.146 175.752 175.900 -0.002 0.000 1.158 327 Y CA -0.535 57.563 58.100 -0.004 0.000 1.307 327 Y CB -0.001 38.429 38.460 -0.049 0.000 1.036 327 Y HN -0.180 nan 8.280 nan 0.000 0.532 328 V N 4.101 123.772 119.914 -0.405 0.000 2.370 328 V HA 0.271 4.392 4.120 0.001 0.000 0.283 328 V C 0.132 176.205 176.094 -0.036 0.000 1.023 328 V CA -1.277 60.861 62.300 -0.270 0.000 0.857 328 V CB 1.101 32.698 31.823 -0.376 0.000 0.985 328 V HN 0.252 nan 8.190 nan 0.000 0.443 329 L N 3.237 124.497 121.223 0.061 0.000 2.479 329 L HA 0.466 4.807 4.340 0.001 0.000 0.249 329 L C 0.892 177.901 176.870 0.232 0.000 1.178 329 L CA -0.295 54.624 54.840 0.132 0.000 0.811 329 L CB 0.241 42.375 42.059 0.126 0.000 1.187 329 L HN 0.581 nan 8.230 nan 0.000 0.480 330 F N -0.095 119.885 119.950 0.049 0.000 2.712 330 F HA 0.325 4.853 4.527 0.001 0.000 0.297 330 F C 1.789 177.611 175.800 0.037 0.000 1.114 330 F CA 0.040 58.060 58.000 0.035 0.000 1.305 330 F CB -0.084 38.925 39.000 0.015 0.000 1.086 330 F HN 0.424 nan 8.300 nan 0.000 0.599 331 G N -0.396 108.375 108.800 -0.049 0.000 2.559 331 G HA2 -0.158 3.803 3.960 0.001 0.000 0.216 331 G HA3 -0.158 3.803 3.960 0.001 0.000 0.216 331 G C 0.218 175.109 174.900 -0.014 0.000 1.126 331 G CA 0.399 45.422 45.100 -0.127 0.000 0.778 331 G HN 0.414 nan 8.290 nan 0.000 0.543 332 Y N -0.143 120.113 120.300 -0.075 0.000 2.528 332 Y HA 0.460 5.010 4.550 0.001 0.000 0.335 332 Y C 1.211 177.104 175.900 -0.011 0.000 1.093 332 Y CA -0.184 57.886 58.100 -0.049 0.000 1.134 332 Y CB 1.411 39.864 38.460 -0.010 0.000 1.253 332 Y HN 0.439 nan 8.280 nan 0.000 0.478 333 G N 1.590 109.919 108.800 -0.784 0.000 2.602 333 G HA2 -0.430 3.531 3.960 0.001 0.000 0.306 333 G HA3 -0.430 3.531 3.960 0.001 0.000 0.306 333 G C 0.849 175.632 174.900 -0.196 0.000 1.301 333 G CA 0.913 45.679 45.100 -0.555 0.000 0.974 333 G HN 1.285 nan 8.290 nan 0.000 0.547 334 T N -2.067 112.469 114.554 -0.030 0.000 3.043 334 T HA 0.398 4.749 4.350 0.001 0.000 0.263 334 T C 2.449 177.294 174.700 0.243 0.000 1.094 334 T CA 1.679 63.830 62.100 0.085 0.000 1.127 334 T CB 0.051 68.996 68.868 0.127 0.000 0.905 334 T HN 2.789 nan 8.240 nan 0.000 0.490 335 G N 0.827 109.782 108.800 0.258 0.000 2.141 335 G HA2 0.155 4.116 3.960 0.001 0.000 0.242 335 G HA3 0.155 4.116 3.960 0.001 0.000 0.242 335 G C 0.096 175.146 174.900 0.251 0.000 0.982 335 G CA -0.288 45.043 45.100 0.384 0.000 0.662 335 G HN 1.407 nan 8.290 nan 0.000 0.527 336 A N -0.229 122.679 122.820 0.148 0.000 2.459 336 A HA 0.825 5.146 4.320 0.001 0.000 0.296 336 A C -0.374 177.201 177.584 -0.015 0.000 1.039 336 A CA -0.207 51.846 52.037 0.026 0.000 0.698 336 A CB 1.219 20.220 19.000 0.001 0.000 1.261 336 A HN 1.727 nan 8.150 nan 0.000 0.405 337 I N 0.123 120.639 120.570 -0.089 0.000 2.509 337 I HA 0.754 4.925 4.170 0.001 0.000 0.293 337 I C -0.275 175.723 176.117 -0.199 0.000 1.020 337 I CA -1.167 60.068 61.300 -0.108 0.000 1.088 337 I CB 1.999 39.933 38.000 -0.111 0.000 1.267 337 I HN 0.761 nan 8.210 nan 0.000 0.430 338 M N 4.741 124.227 119.600 -0.191 0.000 2.120 338 M HA 0.736 5.217 4.480 0.001 0.000 0.354 338 M C -0.265 175.877 176.300 -0.263 0.000 1.287 338 M CA -0.082 55.052 55.300 -0.277 0.000 1.103 338 M CB 1.197 33.763 32.600 -0.055 0.000 1.623 338 M HN 0.685 nan 8.290 nan 0.000 0.471 339 A N 4.023 126.562 122.820 -0.469 0.000 2.276 339 A HA 0.632 4.953 4.320 0.001 0.000 0.300 339 A C -0.363 176.945 177.584 -0.460 0.000 1.235 339 A CA -0.720 50.934 52.037 -0.638 0.000 0.867 339 A CB 0.453 18.452 19.000 -1.669 0.000 1.137 339 A HN 0.790 nan 8.150 nan 0.000 0.527 340 V N 5.888 125.663 119.914 -0.232 0.000 2.305 340 V HA 0.287 4.408 4.120 0.001 0.000 0.275 340 V C -1.947 174.099 176.094 -0.079 0.000 1.020 340 V CA -0.882 61.345 62.300 -0.122 0.000 0.811 340 V CB 1.466 33.279 31.823 -0.017 0.000 1.031 340 V HN 0.829 nan 8.190 nan 0.000 0.439 341 P HA 0.154 nan 4.420 nan 0.000 0.255 341 P C 1.187 178.526 177.300 0.064 0.000 1.248 341 P CA 0.393 63.544 63.100 0.084 0.000 0.807 341 P CB 0.668 32.483 31.700 0.191 0.000 1.150 342 A N -0.150 122.566 122.820 -0.173 0.000 1.930 342 A HA -0.097 4.224 4.320 0.001 0.000 0.215 342 A C 1.423 178.745 177.584 -0.437 0.000 1.176 342 A CA 1.159 52.941 52.037 -0.426 0.000 0.632 342 A CB -1.007 17.521 19.000 -0.787 0.000 0.819 342 A HN 0.195 nan 8.150 nan 0.000 0.445 343 H N -1.274 117.814 119.070 0.030 0.000 2.785 343 H HA 0.271 4.827 4.556 0.001 0.000 0.268 343 H C -0.960 174.359 175.328 -0.015 0.000 1.153 343 H CA -0.238 55.808 56.048 -0.004 0.000 1.111 343 H CB 0.496 30.240 29.762 -0.029 0.000 1.633 343 H HN 0.437 nan 8.280 nan 0.000 0.576 344 D N 0.909 121.354 120.400 0.074 0.000 2.855 344 D HA 0.038 4.678 4.640 0.001 0.000 0.241 344 D C 0.578 176.939 176.300 0.101 0.000 1.277 344 D CA -0.319 53.722 54.000 0.069 0.000 0.918 344 D CB 2.552 43.385 40.800 0.055 0.000 1.462 344 D HN -0.059 nan 8.370 nan 0.000 0.559 345 Q N 3.058 122.916 119.800 0.096 0.000 2.167 345 Q HA -0.068 4.272 4.340 0.001 0.000 0.202 345 Q C 1.753 177.823 176.000 0.117 0.000 0.970 345 Q CA 1.589 57.476 55.803 0.140 0.000 0.855 345 Q CB 0.231 29.029 28.738 0.100 0.000 0.911 345 Q HN 0.473 nan 8.270 nan 0.000 0.438 346 R N -0.041 120.492 120.500 0.055 0.000 2.083 346 R HA -0.140 4.200 4.340 0.001 0.000 0.237 346 R C 1.727 177.994 176.300 -0.055 0.000 1.137 346 R CA 1.642 57.713 56.100 -0.049 0.000 0.951 346 R CB -0.274 29.997 30.300 -0.049 0.000 0.851 346 R HN 0.335 nan 8.270 nan 0.000 0.434 347 D N -0.368 120.073 120.400 0.069 0.000 2.117 347 D HA -0.183 4.458 4.640 0.001 0.000 0.198 347 D C 1.579 178.001 176.300 0.203 0.000 0.982 347 D CA 1.004 55.106 54.000 0.169 0.000 0.828 347 D CB -0.322 40.548 40.800 0.117 0.000 0.967 347 D HN 0.252 nan 8.370 nan 0.000 0.464 348 Y N 1.239 121.571 120.300 0.053 0.000 2.256 348 Y HA -0.203 4.348 4.550 0.001 0.000 0.288 348 Y C 1.890 177.807 175.900 0.028 0.000 1.155 348 Y CA 1.417 59.537 58.100 0.034 0.000 1.203 348 Y CB 0.184 38.650 38.460 0.010 0.000 0.980 348 Y HN -0.017 nan 8.280 nan 0.000 0.530 349 E N -0.815 119.351 120.200 -0.057 0.000 2.170 349 E HA -0.126 4.224 4.350 0.001 0.000 0.191 349 E C 1.748 178.302 176.600 -0.076 0.000 0.981 349 E CA 0.780 57.100 56.400 -0.133 0.000 0.830 349 E CB -0.226 29.451 29.700 -0.038 0.000 0.775 349 E HN 0.551 nan 8.360 nan 0.000 0.470 350 F N 0.920 120.770 119.950 -0.166 0.000 2.163 350 F HA -0.131 4.396 4.527 0.001 0.000 0.297 350 F C 2.153 177.869 175.800 -0.139 0.000 1.094 350 F CA 0.928 58.863 58.000 -0.109 0.000 1.290 350 F CB 0.046 38.982 39.000 -0.106 0.000 1.017 350 F HN 0.011 nan 8.300 nan 0.000 0.483 351 A N 0.619 123.406 122.820 -0.055 0.000 1.851 351 A HA -0.233 4.088 4.320 0.001 0.000 0.216 351 A C 2.347 179.752 177.584 -0.299 0.000 1.195 351 A CA 1.688 53.617 52.037 -0.180 0.000 0.622 351 A CB -0.917 18.080 19.000 -0.005 0.000 0.831 351 A HN 0.313 nan 8.150 nan 0.000 0.444 352 R N -0.374 119.908 120.500 -0.364 0.000 2.091 352 R HA -0.157 4.184 4.340 0.001 0.000 0.238 352 R C 2.346 178.453 176.300 -0.322 0.000 1.136 352 R CA 1.972 57.849 56.100 -0.372 0.000 0.959 352 R CB -0.329 29.666 30.300 -0.509 0.000 0.856 352 R HN 0.638 nan 8.270 nan 0.000 0.437 353 K N -0.780 119.412 120.400 -0.345 0.000 2.001 353 K HA -0.103 4.218 4.320 0.001 0.000 0.208 353 K C 1.422 177.663 176.600 -0.598 0.000 1.048 353 K CA 1.339 57.364 56.287 -0.436 0.000 0.932 353 K CB -0.012 32.232 32.500 -0.427 0.000 0.715 353 K HN 0.052 nan 8.250 nan 0.000 0.437 354 F N 0.216 119.827 119.950 -0.565 0.000 2.693 354 F HA 0.245 4.772 4.527 0.001 0.000 0.303 354 F C 0.862 176.385 175.800 -0.461 0.000 1.097 354 F CA 0.447 58.100 58.000 -0.578 0.000 1.330 354 F CB 0.893 39.237 39.000 -1.093 0.000 1.067 354 F HN 0.278 nan 8.300 nan 0.000 0.565 355 G N 1.701 110.333 108.800 -0.279 0.000 2.298 355 G HA2 -0.271 3.689 3.960 0.001 0.000 0.287 355 G HA3 -0.271 3.689 3.960 0.001 0.000 0.287 355 G C -0.211 174.546 174.900 -0.239 0.000 1.075 355 G CA -0.185 44.789 45.100 -0.210 0.000 0.960 355 G HN 0.298 nan 8.290 nan 0.000 0.502 356 L N 0.248 121.268 121.223 -0.338 0.000 2.358 356 L HA 0.682 5.023 4.340 0.001 0.000 0.268 356 L C -1.318 175.471 176.870 -0.135 0.000 1.032 356 L CA -2.411 52.229 54.840 -0.333 0.000 0.805 356 L CB 1.456 43.091 42.059 -0.706 0.000 1.253 356 L HN 0.072 nan 8.230 nan 0.000 0.452 357 P HA 0.363 nan 4.420 nan 0.000 0.278 357 P C -0.971 176.385 177.300 0.092 0.000 1.258 357 P CA -0.304 62.811 63.100 0.026 0.000 0.811 357 P CB 1.364 33.085 31.700 0.036 0.000 1.063 358 I N 0.223 120.839 120.570 0.077 0.000 2.623 358 I HA 0.282 4.453 4.170 0.001 0.000 0.275 358 I C 0.448 176.594 176.117 0.047 0.000 1.108 358 I CA -0.590 60.764 61.300 0.091 0.000 1.120 358 I CB 1.062 39.147 38.000 0.142 0.000 1.249 358 I HN 0.178 nan 8.210 nan 0.000 0.500 359 K N 5.674 126.095 120.400 0.035 0.000 2.297 359 K HA 0.269 4.590 4.320 0.001 0.000 0.286 359 K C -0.141 176.460 176.600 0.002 0.000 1.053 359 K CA -0.482 55.825 56.287 0.033 0.000 0.940 359 K CB 0.971 33.506 32.500 0.058 0.000 1.019 359 K HN 0.352 nan 8.250 nan 0.000 0.475 360 K N 3.922 124.339 120.400 0.027 0.000 2.227 360 K HA 0.133 4.454 4.320 0.001 0.000 0.280 360 K C 0.196 176.877 176.600 0.135 0.000 1.041 360 K CA -0.325 55.995 56.287 0.054 0.000 0.905 360 K CB 0.920 33.449 32.500 0.049 0.000 1.068 360 K HN 0.535 nan 8.250 nan 0.000 0.470 361 V N 1.986 122.064 119.914 0.274 0.000 3.392 361 V HA 0.347 4.468 4.120 0.001 0.000 0.294 361 V C -0.344 175.853 176.094 0.172 0.000 1.561 361 V CA -0.471 61.959 62.300 0.216 0.000 1.056 361 V CB 0.565 32.508 31.823 0.202 0.000 0.882 361 V HN 0.453 nan 8.190 nan 0.000 0.440 362 I N 1.900 122.607 120.570 0.228 0.000 2.468 362 I HA 0.698 4.869 4.170 0.001 0.000 0.285 362 I C -0.586 175.617 176.117 0.144 0.000 1.039 362 I CA -0.379 60.919 61.300 -0.003 0.000 1.074 362 I CB 1.517 39.238 38.000 -0.466 0.000 1.228 362 I HN 0.201 nan 8.210 nan 0.000 0.436 363 E N 5.265 125.521 120.200 0.094 0.000 2.214 363 E HA 0.496 4.847 4.350 0.001 0.000 0.274 363 E C -0.390 176.249 176.600 0.065 0.000 0.977 363 E CA -0.616 55.812 56.400 0.047 0.000 0.827 363 E CB 1.640 31.346 29.700 0.009 0.000 1.130 363 E HN 0.453 nan 8.360 nan 0.000 0.394 364 R N 3.118 123.566 120.500 -0.085 0.000 2.500 364 R HA 0.407 4.747 4.340 0.001 0.000 0.275 364 R C -2.085 174.205 176.300 -0.016 0.000 1.051 364 R CA -1.828 54.232 56.100 -0.066 0.000 1.088 364 R CB 0.468 30.548 30.300 -0.367 0.000 1.063 364 R HN 0.402 nan 8.270 nan 0.000 0.511 365 P HA -0.004 nan 4.420 nan 0.000 0.262 365 P C 0.337 177.630 177.300 -0.013 0.000 1.182 365 P CA 1.037 64.142 63.100 0.009 0.000 0.761 365 P CB 0.751 32.463 31.700 0.021 0.000 0.795 366 G N 3.277 112.069 108.800 -0.014 0.000 3.773 366 G HA2 -0.378 3.583 3.960 0.001 0.000 0.355 366 G HA3 -0.378 3.583 3.960 0.001 0.000 0.355 366 G C 0.382 175.264 174.900 -0.030 0.000 1.323 366 G CA 0.182 45.270 45.100 -0.018 0.000 1.103 366 G HN 0.671 nan 8.290 nan 0.000 0.716 367 E N 3.604 123.784 120.200 -0.034 0.000 2.463 367 E HA 0.226 4.577 4.350 0.001 0.000 0.248 367 E C -1.827 174.730 176.600 -0.072 0.000 1.106 367 E CA -0.932 55.440 56.400 -0.046 0.000 0.946 367 E CB 0.472 30.146 29.700 -0.043 0.000 0.971 367 E HN 0.218 nan 8.360 nan 0.000 0.478 368 P HA 0.129 nan 4.420 nan 0.000 0.274 368 P C -0.329 176.901 177.300 -0.117 0.000 1.256 368 P CA -0.345 62.703 63.100 -0.087 0.000 0.795 368 P CB 0.565 32.230 31.700 -0.057 0.000 1.038 369 L N 2.387 123.525 121.223 -0.141 0.000 2.360 369 L HA 0.264 4.604 4.340 0.001 0.000 0.276 369 L C -1.690 175.121 176.870 -0.098 0.000 1.121 369 L CA -1.694 53.048 54.840 -0.163 0.000 0.845 369 L CB 0.122 42.066 42.059 -0.192 0.000 1.143 369 L HN 0.258 nan 8.230 nan 0.000 0.452 370 P HA 0.104 nan 4.420 nan 0.000 0.275 370 P C -0.643 176.630 177.300 -0.044 0.000 1.276 370 P CA -0.366 62.700 63.100 -0.056 0.000 0.782 370 P CB 0.912 32.581 31.700 -0.051 0.000 0.851 371 E N 4.960 125.142 120.200 -0.030 0.000 2.338 371 E HA 0.293 4.643 4.350 0.001 0.000 0.272 371 E C -1.917 174.678 176.600 -0.008 0.000 1.029 371 E CA -1.647 54.743 56.400 -0.016 0.000 0.872 371 E CB -0.114 29.581 29.700 -0.009 0.000 1.015 371 E HN 0.360 nan 8.360 nan 0.000 0.417 372 P HA 0.217 nan 4.420 nan 0.000 0.285 372 P C -1.085 176.218 177.300 0.005 0.000 1.259 372 P CA -0.610 62.497 63.100 0.012 0.000 0.794 372 P CB 0.536 32.254 31.700 0.030 0.000 0.940 373 L N 2.373 123.585 121.223 -0.019 0.000 2.601 373 L HA -0.057 4.284 4.340 0.001 0.000 0.277 373 L C 1.524 178.355 176.870 -0.066 0.000 1.219 373 L CA 1.158 55.947 54.840 -0.084 0.000 0.915 373 L CB -0.386 41.583 42.059 -0.150 0.000 1.160 373 L HN 0.461 nan 8.230 nan 0.000 0.494 374 E N 3.797 123.954 120.200 -0.071 0.000 2.481 374 E HA 0.103 4.453 4.350 0.001 0.000 0.198 374 E C 0.123 176.688 176.600 -0.058 0.000 1.027 374 E CA -0.011 56.421 56.400 0.054 0.000 0.900 374 E CB 0.468 30.206 29.700 0.063 0.000 0.993 374 E HN 0.615 nan 8.360 nan 0.000 0.482 375 R N -0.630 119.635 120.500 -0.391 0.000 2.817 375 R HA 0.720 5.060 4.340 0.001 0.000 0.268 375 R C -0.684 175.221 176.300 -0.658 0.000 1.027 375 R CA -0.803 54.996 56.100 -0.502 0.000 0.928 375 R CB 0.912 31.132 30.300 -0.132 0.000 1.228 375 R HN -0.101 nan 8.270 nan 0.000 0.469 376 A N 0.616 123.175 122.820 -0.434 0.000 2.310 376 A HA 0.290 4.611 4.320 0.001 0.000 0.260 376 A C -1.281 176.325 177.584 0.037 0.000 1.112 376 A CA -0.144 51.770 52.037 -0.205 0.000 0.804 376 A CB 0.134 19.111 19.000 -0.037 0.000 1.081 376 A HN 0.651 nan 8.150 nan 0.000 0.499 377 Y N -0.204 120.108 120.300 0.020 0.000 2.488 377 Y HA 0.423 4.974 4.550 0.001 0.000 0.330 377 Y C 0.355 176.314 175.900 0.098 0.000 1.013 377 Y CA -0.658 57.493 58.100 0.084 0.000 1.304 377 Y CB 1.066 39.613 38.460 0.145 0.000 1.098 377 Y HN 0.847 nan 8.280 nan 0.000 0.498 378 E N 2.326 122.412 120.200 -0.189 0.000 2.447 378 E HA 0.030 4.381 4.350 0.001 0.000 0.195 378 E C -0.386 175.981 176.600 -0.389 0.000 1.028 378 E CA 0.203 56.465 56.400 -0.230 0.000 0.876 378 E CB 0.530 30.178 29.700 -0.087 0.000 0.885 378 E HN 0.605 nan 8.360 nan 0.000 0.500 379 E N 1.713 121.554 120.200 -0.599 0.000 2.313 379 E HA 0.132 4.483 4.350 0.001 0.000 0.276 379 E C -2.394 173.828 176.600 -0.631 0.000 1.031 379 E CA -2.031 54.092 56.400 -0.462 0.000 0.857 379 E CB 0.513 30.089 29.700 -0.206 0.000 1.040 379 E HN -0.072 nan 8.360 nan 0.000 0.408 380 P HA 0.209 nan 4.420 nan 0.000 0.270 380 P C -0.174 177.047 177.300 -0.132 0.000 1.223 380 P CA -0.043 62.909 63.100 -0.248 0.000 0.785 380 P CB 0.909 32.523 31.700 -0.143 0.000 0.923 381 G N 0.362 109.117 108.800 -0.074 0.000 2.677 381 G HA2 0.485 4.446 3.960 0.001 0.000 0.283 381 G HA3 0.485 4.446 3.960 0.001 0.000 0.283 381 G C -1.463 173.436 174.900 -0.002 0.000 1.221 381 G CA -0.502 44.619 45.100 0.035 0.000 0.851 381 G HN 0.335 nan 8.290 nan 0.000 0.504 382 I N 1.119 121.699 120.570 0.016 0.000 2.499 382 I HA 0.396 4.567 4.170 0.001 0.000 0.296 382 I C 0.492 176.601 176.117 -0.014 0.000 0.992 382 I CA -0.347 60.950 61.300 -0.005 0.000 1.297 382 I CB 1.242 39.242 38.000 -0.001 0.000 1.410 382 I HN 0.370 nan 8.210 nan 0.000 0.507 383 M N 4.843 124.428 119.600 -0.027 0.000 2.180 383 M HA 0.460 4.941 4.480 0.001 0.000 0.358 383 M C -0.360 175.925 176.300 -0.025 0.000 1.233 383 M CA -0.239 55.038 55.300 -0.037 0.000 1.114 383 M CB 1.687 34.252 32.600 -0.059 0.000 1.594 383 M HN 0.376 nan 8.290 nan 0.000 0.467 384 V N 3.815 123.721 119.914 -0.013 0.000 3.147 384 V HA 0.405 4.525 4.120 0.001 0.000 0.306 384 V C -0.489 175.610 176.094 0.008 0.000 1.209 384 V CA -0.506 61.789 62.300 -0.008 0.000 1.023 384 V CB 2.348 34.175 31.823 0.007 0.000 1.059 384 V HN 1.007 nan 8.190 nan 0.000 0.435 385 N N 2.458 121.163 118.700 0.008 0.000 2.735 385 N HA -0.141 4.600 4.740 0.001 0.000 0.248 385 N C 0.105 175.647 175.510 0.054 0.000 1.083 385 N CA 1.329 54.403 53.050 0.041 0.000 0.703 385 N CB -1.095 37.433 38.487 0.069 0.000 1.005 385 N HN 0.661 nan 8.380 nan 0.000 0.550 386 S N -0.918 114.731 115.700 -0.085 0.000 2.825 386 S HA 0.492 4.963 4.470 0.001 0.000 0.242 386 S C 1.091 175.282 174.600 -0.682 0.000 0.980 386 S CA 0.035 57.979 58.200 -0.427 0.000 1.107 386 S CB 1.182 64.109 63.200 -0.455 0.000 1.172 386 S HN 0.895 nan 8.310 nan 0.000 0.483 387 G N 3.703 112.333 108.800 -0.285 0.000 2.583 387 G HA2 -0.282 3.679 3.960 0.001 0.000 0.292 387 G HA3 -0.282 3.679 3.960 0.001 0.000 0.292 387 G C -1.747 172.993 174.900 -0.266 0.000 1.203 387 G CA 0.299 45.266 45.100 -0.223 0.000 0.987 387 G HN 0.350 nan 8.290 nan 0.000 0.554 388 P HA 0.097 nan 4.420 nan 0.000 0.225 388 P C 1.686 178.717 177.300 -0.449 0.000 1.156 388 P CA 1.476 64.323 63.100 -0.422 0.000 0.787 388 P CB -0.178 31.200 31.700 -0.536 0.000 0.802 389 F N 0.499 120.234 119.950 -0.359 0.000 2.333 389 F HA -0.054 4.473 4.527 0.001 0.000 0.300 389 F C 0.810 176.477 175.800 -0.221 0.000 1.083 389 F CA 0.319 58.137 58.000 -0.303 0.000 1.395 389 F CB -1.725 37.035 39.000 -0.401 0.000 1.056 389 F HN -0.125 nan 8.300 nan 0.000 0.529 390 D N 0.312 120.671 120.400 -0.069 0.000 3.046 390 D HA 0.198 4.839 4.640 0.001 0.000 0.213 390 D C 1.290 177.564 176.300 -0.043 0.000 1.074 390 D CA 1.849 55.813 54.000 -0.060 0.000 0.785 390 D CB 0.067 40.824 40.800 -0.072 0.000 1.160 390 D HN 0.429 nan 8.370 nan 0.000 0.524 391 G N 1.698 110.482 108.800 -0.028 0.000 2.176 391 G HA2 -0.299 3.662 3.960 0.001 0.000 0.253 391 G HA3 -0.299 3.662 3.960 0.001 0.000 0.253 391 G C 0.646 175.537 174.900 -0.015 0.000 0.979 391 G CA 0.385 45.471 45.100 -0.022 0.000 0.641 391 G HN 0.635 nan 8.290 nan 0.000 0.530 392 T N 2.101 116.652 114.554 -0.005 0.000 2.898 392 T HA 0.460 4.810 4.350 0.001 0.000 0.301 392 T C 0.546 175.241 174.700 -0.007 0.000 1.049 392 T CA -0.194 61.909 62.100 0.005 0.000 1.095 392 T CB 1.396 70.291 68.868 0.045 0.000 0.976 392 T HN 0.317 nan 8.240 nan 0.000 0.539 393 E N 0.948 121.143 120.200 -0.009 0.000 2.391 393 E HA 0.074 4.424 4.350 0.001 0.000 0.255 393 E C 1.317 177.897 176.600 -0.033 0.000 1.187 393 E CA -0.128 56.261 56.400 -0.018 0.000 0.941 393 E CB 0.723 30.414 29.700 -0.015 0.000 1.010 393 E HN 0.622 nan 8.360 nan 0.000 0.458 394 S N 0.604 116.274 115.700 -0.050 0.000 2.377 394 S HA -0.118 4.352 4.470 0.001 0.000 0.223 394 S C 1.334 175.897 174.600 -0.063 0.000 1.030 394 S CA 0.963 59.117 58.200 -0.076 0.000 0.970 394 S CB 0.152 63.287 63.200 -0.108 0.000 0.830 394 S HN 0.333 nan 8.310 nan 0.000 0.473 395 E N 1.197 121.369 120.200 -0.047 0.000 2.028 395 E HA -0.070 4.280 4.350 0.001 0.000 0.190 395 E C 2.033 178.620 176.600 -0.020 0.000 0.984 395 E CA 0.981 57.359 56.400 -0.036 0.000 0.800 395 E CB -0.681 29.001 29.700 -0.029 0.000 0.758 395 E HN 0.722 nan 8.360 nan 0.000 0.448 396 E N 0.161 120.354 120.200 -0.012 0.000 2.265 396 E HA -0.103 4.247 4.350 0.001 0.000 0.196 396 E C 1.860 178.467 176.600 0.011 0.000 0.996 396 E CA 0.930 57.331 56.400 0.002 0.000 0.832 396 E CB -0.088 29.615 29.700 0.004 0.000 0.756 396 E HN 0.251 nan 8.360 nan 0.000 0.491 397 G N 0.534 109.333 108.800 -0.001 0.000 2.453 397 G HA2 -0.161 3.799 3.960 0.001 0.000 0.215 397 G HA3 -0.161 3.799 3.960 0.001 0.000 0.215 397 G C 1.382 176.265 174.900 -0.029 0.000 1.147 397 G CA 0.112 45.212 45.100 0.000 0.000 0.802 397 G HN 0.095 nan 8.290 nan 0.000 0.535 398 K N 0.704 121.079 120.400 -0.041 0.000 2.107 398 K HA -0.236 4.085 4.320 0.001 0.000 0.211 398 K C 2.662 179.254 176.600 -0.013 0.000 1.049 398 K CA 1.861 58.121 56.287 -0.044 0.000 0.927 398 K CB -0.124 32.353 32.500 -0.038 0.000 0.714 398 K HN 0.445 nan 8.250 nan 0.000 0.452 399 R N 0.250 120.757 120.500 0.012 0.000 2.200 399 R HA 0.019 4.360 4.340 0.001 0.000 0.208 399 R C 1.835 178.181 176.300 0.077 0.000 1.033 399 R CA 0.674 56.797 56.100 0.038 0.000 1.000 399 R CB -0.100 30.220 30.300 0.034 0.000 0.906 399 R HN 0.029 nan 8.270 nan 0.000 0.462 400 K N 1.108 121.567 120.400 0.098 0.000 2.025 400 K HA -0.035 4.285 4.320 0.001 0.000 0.207 400 K C 2.066 178.829 176.600 0.271 0.000 1.049 400 K CA 1.456 57.859 56.287 0.193 0.000 0.933 400 K CB -0.100 32.555 32.500 0.258 0.000 0.714 400 K HN -0.024 nan 8.250 nan 0.000 0.438 401 V N 2.042 122.032 119.914 0.126 0.000 2.407 401 V HA -0.251 3.870 4.120 0.001 0.000 0.248 401 V C 2.195 178.429 176.094 0.233 0.000 1.055 401 V CA 1.561 63.920 62.300 0.098 0.000 1.049 401 V CB -0.401 31.296 31.823 -0.210 0.000 0.662 401 V HN 0.291 nan 8.190 nan 0.000 0.455 402 I N 0.377 121.027 120.570 0.134 0.000 2.142 402 I HA -0.258 3.912 4.170 0.001 0.000 0.240 402 I C 2.725 178.923 176.117 0.134 0.000 1.078 402 I CA 1.563 62.930 61.300 0.113 0.000 1.343 402 I CB -0.692 37.349 38.000 0.068 0.000 1.046 402 I HN 0.308 nan 8.210 nan 0.000 0.405 403 A N 0.089 123.001 122.820 0.152 0.000 1.917 403 A HA -0.295 4.026 4.320 0.001 0.000 0.219 403 A C 2.113 179.811 177.584 0.190 0.000 1.182 403 A CA 1.876 54.000 52.037 0.145 0.000 0.633 403 A CB -1.300 17.789 19.000 0.148 0.000 0.819 403 A HN 0.698 nan 8.150 nan 0.000 0.448 404 W N 0.193 121.559 121.300 0.110 0.000 2.425 404 W HA 0.004 4.665 4.660 0.001 0.000 0.277 404 W C 1.539 178.112 176.519 0.091 0.000 1.231 404 W CA 1.437 58.865 57.345 0.138 0.000 1.248 404 W CB -0.100 29.537 29.460 0.295 0.000 1.117 404 W HN 0.257 nan 8.180 nan 0.000 0.568 405 L N -0.168 121.097 121.223 0.070 0.000 2.270 405 L HA -0.016 4.325 4.340 0.001 0.000 0.210 405 L C 2.012 178.796 176.870 -0.143 0.000 1.104 405 L CA 1.022 55.786 54.840 -0.127 0.000 0.804 405 L CB -0.622 41.441 42.059 0.007 0.000 0.937 405 L HN -0.136 nan 8.230 nan 0.000 0.450 406 E N -0.212 119.951 120.200 -0.060 0.000 2.512 406 E HA -0.132 4.218 4.350 0.001 0.000 0.195 406 E C 1.500 178.051 176.600 -0.081 0.000 1.083 406 E CA 0.104 56.471 56.400 -0.056 0.000 0.873 406 E CB 0.291 29.986 29.700 -0.010 0.000 0.897 406 E HN 0.406 nan 8.360 nan 0.000 0.514 407 E N -0.035 120.078 120.200 -0.144 0.000 2.372 407 E HA 0.014 4.365 4.350 0.001 0.000 0.201 407 E C 1.348 177.828 176.600 -0.199 0.000 0.938 407 E CA 0.226 56.538 56.400 -0.147 0.000 0.944 407 E CB 0.519 30.143 29.700 -0.127 0.000 0.937 407 E HN -0.053 nan 8.360 nan 0.000 0.495 408 K N -0.548 119.670 120.400 -0.302 0.000 2.380 408 K HA 0.145 4.466 4.320 0.001 0.000 0.198 408 K C 0.486 176.963 176.600 -0.205 0.000 1.070 408 K CA 0.667 56.792 56.287 -0.271 0.000 1.040 408 K CB 1.647 33.914 32.500 -0.387 0.000 0.903 408 K HN 0.178 nan 8.250 nan 0.000 0.549 409 G N 2.315 111.001 108.800 -0.190 0.000 2.341 409 G HA2 -0.212 3.748 3.960 0.001 0.000 0.278 409 G HA3 -0.212 3.748 3.960 0.001 0.000 0.278 409 G C -0.019 174.806 174.900 -0.125 0.000 1.111 409 G CA -0.114 44.909 45.100 -0.129 0.000 0.982 409 G HN 0.244 nan 8.290 nan 0.000 0.502 410 L N 0.156 121.287 121.223 -0.153 0.000 2.913 410 L HA 0.606 4.946 4.340 0.001 0.000 0.283 410 L C 0.829 177.634 176.870 -0.109 0.000 1.336 410 L CA -0.001 54.760 54.840 -0.133 0.000 0.815 410 L CB 0.422 42.377 42.059 -0.174 0.000 1.188 410 L HN 1.087 nan 8.230 nan 0.000 0.551 411 G N 1.165 109.924 108.800 -0.068 0.000 2.351 411 G HA2 0.117 4.078 3.960 0.001 0.000 0.472 411 G HA3 0.117 4.078 3.960 0.001 0.000 0.472 411 G C -1.640 173.250 174.900 -0.017 0.000 1.570 411 G CA -0.939 44.144 45.100 -0.028 0.000 0.921 411 G HN 0.118 nan 8.290 nan 0.000 0.674 412 K N 0.430 120.834 120.400 0.006 0.000 2.509 412 K HA 0.819 5.140 4.320 0.001 0.000 0.266 412 K C 0.327 176.944 176.600 0.027 0.000 0.987 412 K CA -0.657 55.634 56.287 0.007 0.000 0.868 412 K CB 1.973 34.467 32.500 -0.011 0.000 1.421 412 K HN 1.344 nan 8.250 nan 0.000 0.444 413 G N 0.834 109.648 108.800 0.024 0.000 2.442 413 G HA2 0.386 4.347 3.960 0.001 0.000 0.249 413 G HA3 0.386 4.347 3.960 0.001 0.000 0.249 413 G C -0.669 174.241 174.900 0.017 0.000 1.263 413 G CA -0.287 44.834 45.100 0.035 0.000 0.846 413 G HN 0.556 nan 8.290 nan 0.000 0.555 414 R N 0.082 120.601 120.500 0.032 0.000 2.690 414 R HA 0.483 4.824 4.340 0.001 0.000 0.269 414 R C -1.863 174.374 176.300 -0.105 0.000 1.037 414 R CA -0.657 55.411 56.100 -0.054 0.000 0.877 414 R CB 2.215 32.457 30.300 -0.097 0.000 1.255 414 R HN 0.431 nan 8.270 nan 0.000 0.467 415 V N 1.975 121.732 119.914 -0.261 0.000 2.482 415 V HA 0.472 4.592 4.120 0.001 0.000 0.295 415 V C -0.235 175.453 176.094 -0.676 0.000 1.026 415 V CA -0.643 61.430 62.300 -0.377 0.000 0.856 415 V CB 1.633 33.297 31.823 -0.265 0.000 1.001 415 V HN 0.972 nan 8.190 nan 0.000 0.424 416 T N 1.098 115.136 114.554 -0.860 0.000 2.910 416 T HA 0.833 5.184 4.350 0.001 0.000 0.287 416 T C -1.273 172.987 174.700 -0.732 0.000 1.050 416 T CA -0.794 60.787 62.100 -0.865 0.000 1.011 416 T CB 2.042 70.374 68.868 -0.892 0.000 1.195 416 T HN 0.269 nan 8.240 nan 0.000 0.540 417 Y N -0.328 119.901 120.300 -0.119 0.000 2.425 417 Y HA 0.520 5.071 4.550 0.001 0.000 0.344 417 Y C 1.583 177.524 175.900 0.068 0.000 0.969 417 Y CA -1.568 56.526 58.100 -0.011 0.000 1.052 417 Y CB 1.915 40.347 38.460 -0.047 0.000 1.215 417 Y HN 0.573 nan 8.280 nan 0.000 0.451 418 R N 0.839 121.474 120.500 0.225 0.000 2.152 418 R HA -0.092 4.249 4.340 0.001 0.000 0.232 418 R C 0.254 176.450 176.300 -0.173 0.000 1.117 418 R CA 0.510 56.606 56.100 -0.007 0.000 0.981 418 R CB -0.079 30.098 30.300 -0.205 0.000 0.870 418 R HN 0.441 nan 8.270 nan 0.000 0.451 419 L N 1.916 123.057 121.223 -0.137 0.000 2.490 419 L HA 0.023 4.363 4.340 0.001 0.000 0.274 419 L C -0.234 176.606 176.870 -0.049 0.000 1.201 419 L CA 0.805 55.537 54.840 -0.180 0.000 0.869 419 L CB 0.350 42.354 42.059 -0.092 0.000 1.123 419 L HN -0.030 nan 8.230 nan 0.000 0.484 420 R N 3.110 123.596 120.500 -0.024 0.000 2.750 420 R HA 0.407 4.747 4.340 0.001 0.000 0.281 420 R C -0.910 175.497 176.300 0.178 0.000 0.972 420 R CA -1.079 55.059 56.100 0.065 0.000 0.912 420 R CB 1.214 31.544 30.300 0.049 0.000 1.187 420 R HN 0.578 nan 8.270 nan 0.000 0.464 421 D N 0.544 121.082 120.400 0.229 0.000 2.390 421 D HA -0.096 4.545 4.640 0.001 0.000 0.236 421 D C -0.467 176.126 176.300 0.488 0.000 1.189 421 D CA 0.376 54.578 54.000 0.338 0.000 0.887 421 D CB 0.490 41.511 40.800 0.369 0.000 1.198 421 D HN 0.237 nan 8.370 nan 0.000 0.444 422 W N 3.118 124.569 121.300 0.251 0.000 2.437 422 W HA 0.278 4.939 4.660 0.001 0.000 0.312 422 W C -0.791 175.787 176.519 0.098 0.000 1.242 422 W CA -0.917 56.561 57.345 0.221 0.000 1.340 422 W CB -0.359 29.223 29.460 0.203 0.000 1.327 422 W HN 0.183 nan 8.180 nan 0.000 0.476 423 L N 9.513 130.959 121.223 0.372 0.000 2.325 423 L HA 0.105 4.446 4.340 0.001 0.000 0.284 423 L C 1.252 178.157 176.870 0.059 0.000 1.089 423 L CA -0.004 54.777 54.840 -0.098 0.000 0.836 423 L CB 0.541 42.505 42.059 -0.159 0.000 1.184 423 L HN 0.625 nan 8.230 nan 0.000 0.444 424 I N 0.525 121.030 120.570 -0.108 0.000 3.616 424 I HA 0.138 4.309 4.170 0.001 0.000 0.296 424 I C 1.042 177.136 176.117 -0.040 0.000 1.226 424 I CA -0.162 61.060 61.300 -0.130 0.000 1.394 424 I CB -0.020 37.805 38.000 -0.292 0.000 1.171 424 I HN 0.583 nan 8.210 nan 0.000 0.442 425 S N 3.667 119.372 115.700 0.009 0.000 2.555 425 S HA 0.225 4.695 4.470 0.001 0.000 0.293 425 S C 0.138 174.759 174.600 0.035 0.000 1.248 425 S CA -0.469 57.759 58.200 0.047 0.000 1.096 425 S CB 0.179 63.487 63.200 0.181 0.000 0.881 425 S HN 0.271 nan 8.310 nan 0.000 0.498 426 R N 2.276 122.778 120.500 0.002 0.000 2.720 426 R HA 0.377 4.718 4.340 0.001 0.000 0.272 426 R C -0.467 175.847 176.300 0.023 0.000 0.991 426 R CA -0.751 55.353 56.100 0.006 0.000 1.010 426 R CB 0.994 31.294 30.300 -0.001 0.000 1.141 426 R HN 0.649 nan 8.270 nan 0.000 0.494 427 Q N 1.833 121.648 119.800 0.024 0.000 2.916 427 Q HA 0.317 4.657 4.340 0.001 0.000 0.314 427 Q C -0.576 175.469 176.000 0.075 0.000 1.194 427 Q CA -0.122 55.730 55.803 0.082 0.000 1.079 427 Q CB 0.692 29.529 28.738 0.166 0.000 1.322 427 Q HN 0.076 nan 8.270 nan 0.000 0.500 428 R N -0.524 120.019 120.500 0.072 0.000 2.836 428 R HA 0.241 4.582 4.340 0.001 0.000 0.269 428 R C -0.080 176.315 176.300 0.157 0.000 1.010 428 R CA -0.805 55.364 56.100 0.115 0.000 0.930 428 R CB 0.214 30.574 30.300 0.100 0.000 1.218 428 R HN 0.290 nan 8.270 nan 0.000 0.473 429 Y N 0.691 121.055 120.300 0.106 0.000 2.184 429 Y HA 0.031 4.582 4.550 0.001 0.000 0.290 429 Y C 0.424 176.460 175.900 0.227 0.000 1.129 429 Y CA 1.044 59.223 58.100 0.131 0.000 1.144 429 Y CB 0.254 38.796 38.460 0.137 0.000 0.995 429 Y HN 0.532 nan 8.280 nan 0.000 0.513 430 W N 3.278 124.499 121.300 -0.133 0.000 2.430 430 W HA 0.435 5.095 4.660 0.001 0.000 0.380 430 W C -0.490 176.027 176.519 -0.003 0.000 1.045 430 W CA 0.492 57.812 57.345 -0.042 0.000 1.547 430 W CB -0.242 29.252 29.460 0.056 0.000 1.554 430 W HN 0.279 nan 8.180 nan 0.000 0.378 431 G N 2.206 110.647 108.800 -0.598 0.000 2.556 431 G HA2 0.140 4.101 3.960 0.001 0.000 0.294 431 G HA3 0.140 4.101 3.960 0.001 0.000 0.294 431 G C -1.079 172.933 174.900 -1.480 0.000 1.516 431 G CA -0.823 43.589 45.100 -1.146 0.000 0.824 431 G HN -0.045 nan 8.290 nan 0.000 0.535 432 T N 3.418 117.097 114.554 -1.459 0.000 2.829 432 T HA 0.319 4.670 4.350 0.001 0.000 0.293 432 T C -2.192 172.067 174.700 -0.734 0.000 0.970 432 T CA 0.005 61.452 62.100 -1.089 0.000 1.168 432 T CB 0.805 69.247 68.868 -0.709 0.000 0.911 432 T HN 0.234 nan 8.240 nan 0.000 0.535 433 P HA 0.107 nan 4.420 nan 0.000 0.263 433 P C 0.011 177.055 177.300 -0.427 0.000 1.195 433 P CA -0.069 62.789 63.100 -0.403 0.000 0.762 433 P CB 0.219 31.758 31.700 -0.268 0.000 0.799 434 I N 7.016 127.311 120.570 -0.458 0.000 2.505 434 I HA 0.054 4.224 4.170 0.001 0.000 0.287 434 I C -1.451 174.327 176.117 -0.564 0.000 1.104 434 I CA -1.595 59.271 61.300 -0.723 0.000 1.387 434 I CB 0.803 38.337 38.000 -0.778 0.000 1.404 434 I HN 0.213 nan 8.210 nan 0.000 0.528 435 P HA 0.185 nan 4.420 nan 0.000 0.220 435 P C -0.776 176.300 177.300 -0.373 0.000 1.806 435 P CA 0.005 62.883 63.100 -0.370 0.000 0.976 435 P CB 0.190 31.727 31.700 -0.273 0.000 1.952 436 M N 0.385 119.747 119.600 -0.397 0.000 2.658 436 M HA 0.492 4.973 4.480 0.001 0.000 0.295 436 M C -0.506 175.596 176.300 -0.331 0.000 1.248 436 M CA -1.198 53.889 55.300 -0.354 0.000 0.843 436 M CB 2.471 34.897 32.600 -0.291 0.000 1.749 436 M HN -0.245 nan 8.290 nan 0.000 0.464 437 V N 0.563 120.296 119.914 -0.302 0.000 2.962 437 V HA 0.437 4.557 4.120 0.001 0.000 0.313 437 V C -0.999 174.958 176.094 -0.228 0.000 1.099 437 V CA -0.820 61.310 62.300 -0.283 0.000 0.971 437 V CB 2.430 34.154 31.823 -0.165 0.000 1.028 437 V HN 0.713 nan 8.190 nan 0.000 0.430 438 H N 1.318 120.388 119.070 -0.000 0.000 2.690 438 H HA 0.380 4.936 4.556 0.001 0.000 0.280 438 H C -0.014 175.319 175.328 0.009 0.000 1.138 438 H CA -0.441 55.617 56.048 0.017 0.000 1.241 438 H CB 1.060 30.830 29.762 0.013 0.000 1.394 438 H HN 0.664 nan 8.280 nan 0.000 0.489 439 C N 2.040 121.415 119.300 0.125 0.000 2.639 439 C HA 0.009 4.470 4.460 0.001 0.000 0.360 439 C C 2.217 177.248 174.990 0.068 0.000 1.351 439 C CA 0.047 59.109 59.018 0.073 0.000 2.408 439 C CB 0.747 28.522 27.740 0.058 0.000 2.517 439 C HN 0.853 nan 8.230 nan 0.000 0.696 440 E N 0.082 120.311 120.200 0.048 0.000 2.251 440 E HA 0.199 4.549 4.350 0.001 0.000 0.194 440 E C 1.399 178.018 176.600 0.032 0.000 0.964 440 E CA 1.280 57.702 56.400 0.038 0.000 0.868 440 E CB 0.091 29.810 29.700 0.032 0.000 0.828 440 E HN 0.704 nan 8.360 nan 0.000 0.481 441 A N -1.335 121.505 122.820 0.033 0.000 2.259 441 A HA 0.180 4.501 4.320 0.001 0.000 0.213 441 A C 1.824 179.430 177.584 0.036 0.000 1.209 441 A CA 0.217 52.272 52.037 0.030 0.000 0.910 441 A CB -0.072 18.943 19.000 0.025 0.000 0.946 441 A HN 0.382 nan 8.150 nan 0.000 0.497 442 C N -2.058 117.270 119.300 0.047 0.000 2.563 442 C HA 0.567 5.028 4.460 0.001 0.000 0.346 442 C C 1.868 176.904 174.990 0.077 0.000 1.334 442 C CA 0.452 59.506 59.018 0.060 0.000 1.938 442 C CB -0.092 27.686 27.740 0.063 0.000 2.445 442 C HN 0.989 nan 8.230 nan 0.000 0.541 443 G N 0.386 109.236 108.800 0.083 0.000 2.715 443 G HA2 -0.145 3.816 3.960 0.001 0.000 0.221 443 G HA3 -0.145 3.816 3.960 0.001 0.000 0.221 443 G C -0.550 174.447 174.900 0.162 0.000 1.204 443 G CA -0.088 45.075 45.100 0.106 0.000 1.063 443 G HN 0.312 nan 8.290 nan 0.000 0.586 444 V N 1.027 121.067 119.914 0.209 0.000 2.488 444 V HA 0.536 4.657 4.120 0.001 0.000 0.277 444 V C 0.453 176.633 176.094 0.143 0.000 1.046 444 V CA -0.175 62.278 62.300 0.255 0.000 0.986 444 V CB 1.059 33.094 31.823 0.354 0.000 0.989 444 V HN 0.887 nan 8.190 nan 0.000 0.475 445 V N 7.619 127.527 119.914 -0.009 0.000 2.577 445 V HA 0.449 4.569 4.120 0.001 0.000 0.303 445 V C -2.369 173.557 176.094 -0.281 0.000 1.042 445 V CA -1.582 60.664 62.300 -0.090 0.000 0.872 445 V CB 2.690 34.492 31.823 -0.035 0.000 0.998 445 V HN 0.754 nan 8.190 nan 0.000 0.423 446 P HA 0.307 nan 4.420 nan 0.000 0.284 446 P C -0.570 176.587 177.300 -0.240 0.000 1.253 446 P CA -0.194 62.617 63.100 -0.481 0.000 0.800 446 P CB 1.688 33.023 31.700 -0.609 0.000 0.961 447 V N 5.569 125.354 119.914 -0.216 0.000 2.583 447 V HA 0.170 4.291 4.120 0.001 0.000 0.287 447 V C -1.740 174.294 176.094 -0.101 0.000 1.051 447 V CA -1.390 60.828 62.300 -0.137 0.000 1.010 447 V CB 0.199 31.944 31.823 -0.130 0.000 0.988 447 V HN 0.591 nan 8.190 nan 0.000 0.478 448 P HA 0.045 nan 4.420 nan 0.000 0.268 448 P C 0.855 178.133 177.300 -0.036 0.000 1.208 448 P CA -0.012 63.063 63.100 -0.041 0.000 0.777 448 P CB 0.631 32.317 31.700 -0.023 0.000 0.875 449 E N 1.643 121.829 120.200 -0.022 0.000 2.085 449 E HA -0.261 4.090 4.350 0.001 0.000 0.194 449 E C 1.416 178.040 176.600 0.041 0.000 0.994 449 E CA 1.457 57.863 56.400 0.011 0.000 0.801 449 E CB 0.070 29.794 29.700 0.040 0.000 0.743 449 E HN 0.616 nan 8.360 nan 0.000 0.453 450 E N -0.045 120.172 120.200 0.028 0.000 2.358 450 E HA -0.159 4.192 4.350 0.001 0.000 0.195 450 E C 1.733 178.335 176.600 0.003 0.000 1.010 450 E CA 0.663 57.079 56.400 0.027 0.000 0.856 450 E CB -0.045 29.671 29.700 0.027 0.000 0.795 450 E HN 0.279 nan 8.360 nan 0.000 0.504 451 E N 0.702 120.896 120.200 -0.010 0.000 2.481 451 E HA 0.067 4.417 4.350 0.001 0.000 0.195 451 E C 0.214 176.796 176.600 -0.029 0.000 1.047 451 E CA -0.206 56.183 56.400 -0.019 0.000 0.867 451 E CB 0.220 29.905 29.700 -0.024 0.000 0.858 451 E HN 0.265 nan 8.360 nan 0.000 0.513 452 L N 2.515 123.715 121.223 -0.039 0.000 2.436 452 L HA 0.218 4.559 4.340 0.001 0.000 0.265 452 L C -1.734 175.071 176.870 -0.108 0.000 1.168 452 L CA -1.837 52.961 54.840 -0.069 0.000 0.815 452 L CB 0.101 42.117 42.059 -0.073 0.000 1.109 452 L HN 0.051 nan 8.230 nan 0.000 0.462 453 P HA 0.065 nan 4.420 nan 0.000 0.274 453 P C -0.744 176.549 177.300 -0.012 0.000 1.256 453 P CA -0.362 62.686 63.100 -0.086 0.000 0.795 453 P CB 0.884 32.522 31.700 -0.103 0.000 1.038 454 V N 1.977 121.904 119.914 0.021 0.000 2.221 454 V HA 0.069 4.190 4.120 0.001 0.000 0.258 454 V C 0.676 176.835 176.094 0.109 0.000 1.179 454 V CA -0.468 61.873 62.300 0.067 0.000 1.022 454 V CB -0.577 31.271 31.823 0.041 0.000 1.228 454 V HN 0.366 nan 8.190 nan 0.000 0.487 455 L N 3.840 125.136 121.223 0.121 0.000 2.615 455 L HA -0.023 4.318 4.340 0.001 0.000 0.284 455 L C 0.454 177.343 176.870 0.031 0.000 1.237 455 L CA 0.758 55.683 54.840 0.141 0.000 0.905 455 L CB 0.176 42.296 42.059 0.102 0.000 1.149 455 L HN 0.484 nan 8.230 nan 0.000 0.499 456 L N 6.883 128.107 121.223 0.002 0.000 2.534 456 L HA 0.143 4.484 4.340 0.001 0.000 0.271 456 L C -1.746 175.072 176.870 -0.086 0.000 1.178 456 L CA -1.477 53.256 54.840 -0.178 0.000 0.907 456 L CB 0.593 42.532 42.059 -0.200 0.000 1.164 456 L HN 0.485 nan 8.230 nan 0.000 0.482 457 P HA -0.030 nan 4.420 nan 0.000 0.261 457 P C -0.914 176.444 177.300 0.096 0.000 1.183 457 P CA 0.032 63.093 63.100 -0.065 0.000 0.761 457 P CB 0.318 31.924 31.700 -0.156 0.000 0.785 458 D N 3.120 123.578 120.400 0.097 0.000 2.325 458 D HA 0.206 4.846 4.640 0.001 0.000 0.251 458 D C -0.950 175.383 176.300 0.055 0.000 1.196 458 D CA 0.013 54.103 54.000 0.150 0.000 0.866 458 D CB 0.313 41.174 40.800 0.102 0.000 1.101 458 D HN 0.053 nan 8.370 nan 0.000 0.476 459 L N 5.381 126.637 121.223 0.055 0.000 2.353 459 L HA 0.209 4.550 4.340 0.001 0.000 0.270 459 L C 1.417 178.236 176.870 -0.085 0.000 1.003 459 L CA -0.451 54.316 54.840 -0.121 0.000 0.862 459 L CB 1.623 43.490 42.059 -0.321 0.000 1.221 459 L HN 0.187 nan 8.230 nan 0.000 0.430 460 K N 0.152 120.476 120.400 -0.127 0.000 2.288 460 K HA -0.015 4.306 4.320 0.001 0.000 0.201 460 K C 0.209 176.735 176.600 -0.124 0.000 1.048 460 K CA 0.329 56.487 56.287 -0.214 0.000 0.956 460 K CB 0.106 32.493 32.500 -0.187 0.000 0.746 460 K HN 0.506 nan 8.250 nan 0.000 0.461 461 D N 0.917 121.266 120.400 -0.086 0.000 2.434 461 D HA -0.038 4.603 4.640 0.001 0.000 0.252 461 D C 1.111 177.389 176.300 -0.035 0.000 1.185 461 D CA 0.064 54.035 54.000 -0.049 0.000 0.886 461 D CB 1.203 41.985 40.800 -0.030 0.000 1.148 461 D HN -0.259 nan 8.370 nan 0.000 0.483 462 V N 4.460 124.367 119.914 -0.012 0.000 2.302 462 V HA -0.117 4.003 4.120 0.001 0.000 0.243 462 V C 1.981 178.066 176.094 -0.015 0.000 1.036 462 V CA 1.197 63.498 62.300 0.002 0.000 1.020 462 V CB -0.440 31.389 31.823 0.009 0.000 0.657 462 V HN 0.582 nan 8.190 nan 0.000 0.453 463 E N -0.181 120.015 120.200 -0.007 0.000 2.502 463 E HA -0.122 4.228 4.350 0.001 0.000 0.194 463 E C 1.577 178.183 176.600 0.009 0.000 1.062 463 E CA 0.319 56.718 56.400 -0.001 0.000 0.867 463 E CB 0.004 29.706 29.700 0.004 0.000 0.888 463 E HN 0.555 nan 8.360 nan 0.000 0.510 464 D N 1.212 121.615 120.400 0.006 0.000 2.183 464 D HA -0.071 4.570 4.640 0.001 0.000 0.205 464 D C 1.957 178.256 176.300 -0.001 0.000 0.962 464 D CA 0.598 54.620 54.000 0.036 0.000 0.849 464 D CB 0.311 41.152 40.800 0.068 0.000 0.978 464 D HN 0.282 nan 8.370 nan 0.000 0.488 465 I N -0.737 119.775 120.570 -0.097 0.000 3.564 465 I HA 0.113 4.283 4.170 0.001 0.000 0.294 465 I C 1.159 177.268 176.117 -0.014 0.000 1.289 465 I CA -0.330 60.864 61.300 -0.177 0.000 1.325 465 I CB -0.292 37.417 38.000 -0.486 0.000 1.039 465 I HN -0.208 nan 8.210 nan 0.000 0.474 466 R N 3.889 124.392 120.500 0.004 0.000 2.734 466 R HA 0.241 4.581 4.340 0.001 0.000 0.266 466 R C -2.402 173.938 176.300 0.066 0.000 1.044 466 R CA -1.061 55.056 56.100 0.029 0.000 1.128 466 R CB 0.207 30.515 30.300 0.014 0.000 1.010 466 R HN 0.056 nan 8.270 nan 0.000 0.461 467 P HA 0.231 nan 4.420 nan 0.000 0.293 467 P C -1.267 176.104 177.300 0.119 0.000 1.300 467 P CA -0.383 62.783 63.100 0.111 0.000 0.792 467 P CB 1.431 33.194 31.700 0.106 0.000 0.925 468 K N 1.623 122.102 120.400 0.132 0.000 2.354 468 K HA 0.331 4.652 4.320 0.001 0.000 0.194 468 K C 1.238 177.922 176.600 0.140 0.000 1.038 468 K CA 0.493 56.848 56.287 0.114 0.000 1.052 468 K CB 0.408 32.959 32.500 0.085 0.000 0.861 468 K HN 0.706 nan 8.250 nan 0.000 0.535 469 G N 1.067 109.999 108.800 0.219 0.000 3.180 469 G HA2 -0.171 3.790 3.960 0.001 0.000 0.197 469 G HA3 -0.171 3.790 3.960 0.001 0.000 0.197 469 G C -0.220 174.825 174.900 0.242 0.000 1.149 469 G CA -0.611 44.625 45.100 0.227 0.000 0.847 469 G HN 0.071 nan 8.290 nan 0.000 0.469 470 K N 0.970 121.473 120.400 0.172 0.000 2.109 470 K HA 0.629 4.949 4.320 0.001 0.000 0.243 470 K C 0.194 176.908 176.600 0.191 0.000 1.006 470 K CA -0.005 56.382 56.287 0.167 0.000 0.917 470 K CB 1.567 34.129 32.500 0.103 0.000 1.081 470 K HN 0.200 nan 8.250 nan 0.000 0.468 471 S N 1.072 116.878 115.700 0.177 0.000 2.562 471 S HA 0.081 4.551 4.470 0.001 0.000 0.281 471 S C -1.760 172.943 174.600 0.171 0.000 1.333 471 S CA -1.308 56.993 58.200 0.169 0.000 1.052 471 S CB 0.462 63.754 63.200 0.154 0.000 0.884 471 S HN 0.283 nan 8.310 nan 0.000 0.506 472 P HA -0.033 nan 4.420 nan 0.000 0.218 472 P C 1.051 178.508 177.300 0.263 0.000 1.149 472 P CA 1.042 64.266 63.100 0.207 0.000 0.817 472 P CB 0.023 31.847 31.700 0.207 0.000 0.785 473 L N -0.819 120.559 121.223 0.257 0.000 2.465 473 L HA -0.059 4.282 4.340 0.001 0.000 0.224 473 L C 2.262 179.360 176.870 0.379 0.000 1.145 473 L CA 0.885 55.921 54.840 0.327 0.000 0.834 473 L CB -0.696 41.534 42.059 0.284 0.000 0.944 473 L HN -0.036 nan 8.230 nan 0.000 0.451 474 E N 0.767 121.109 120.200 0.237 0.000 2.152 474 E HA -0.090 4.261 4.350 0.001 0.000 0.192 474 E C 2.082 178.823 176.600 0.236 0.000 0.983 474 E CA 1.127 57.606 56.400 0.132 0.000 0.818 474 E CB 0.124 29.854 29.700 0.050 0.000 0.758 474 E HN 0.418 nan 8.360 nan 0.000 0.467 475 A N 0.557 123.499 122.820 0.203 0.000 2.238 475 A HA -0.033 4.288 4.320 0.001 0.000 0.208 475 A C 0.301 177.843 177.584 -0.069 0.000 1.177 475 A CA 0.217 52.296 52.037 0.069 0.000 0.804 475 A CB -0.091 18.903 19.000 -0.011 0.000 0.823 475 A HN 0.085 nan 8.150 nan 0.000 0.482 476 H N -0.794 118.438 119.070 0.270 0.000 2.887 476 H HA 0.209 4.765 4.556 0.001 0.000 0.300 476 H C -2.181 173.222 175.328 0.125 0.000 1.038 476 H CA -1.548 54.610 56.048 0.182 0.000 1.352 476 H CB 1.633 31.486 29.762 0.151 0.000 1.473 476 H HN 0.087 nan 8.280 nan 0.000 0.503 477 P HA -0.211 nan 4.420 nan 0.000 0.216 477 P C 1.657 178.722 177.300 -0.391 0.000 1.153 477 P CA 1.175 63.928 63.100 -0.578 0.000 0.858 477 P CB 0.379 31.898 31.700 -0.302 0.000 0.789 478 E N -0.803 119.354 120.200 -0.070 0.000 2.273 478 E HA -0.240 4.110 4.350 0.001 0.000 0.198 478 E C 1.744 178.389 176.600 0.075 0.000 1.002 478 E CA 1.167 57.567 56.400 -0.001 0.000 0.828 478 E CB -1.105 28.629 29.700 0.056 0.000 0.747 478 E HN 0.243 nan 8.360 nan 0.000 0.491 479 F N 2.530 122.458 119.950 -0.037 0.000 2.123 479 F HA -0.062 4.465 4.527 0.001 0.000 0.289 479 F C 2.225 178.052 175.800 0.045 0.000 1.099 479 F CA 1.198 59.220 58.000 0.038 0.000 1.234 479 F CB -0.862 38.215 39.000 0.129 0.000 1.034 479 F HN 0.067 nan 8.300 nan 0.000 0.479 480 Y N -0.068 120.113 120.300 -0.197 0.000 2.511 480 Y HA 0.346 4.896 4.550 0.001 0.000 0.279 480 Y C 0.577 176.383 175.900 -0.155 0.000 1.157 480 Y CA -0.364 57.529 58.100 -0.345 0.000 1.300 480 Y CB -1.747 36.589 38.460 -0.207 0.000 1.052 480 Y HN 0.057 nan 8.280 nan 0.000 0.529 481 E N 2.455 122.437 120.200 -0.364 0.000 1.855 481 E HA 0.059 4.410 4.350 0.001 0.000 0.259 481 E C -0.210 176.327 176.600 -0.105 0.000 1.229 481 E CA 0.404 56.683 56.400 -0.201 0.000 1.042 481 E CB -0.134 29.444 29.700 -0.203 0.000 1.079 481 E HN 0.394 nan 8.360 nan 0.000 0.434 482 T N 0.486 115.001 114.554 -0.065 0.000 2.762 482 T HA 0.378 4.729 4.350 0.001 0.000 0.301 482 T C -0.647 174.030 174.700 -0.038 0.000 1.299 482 T CA -0.606 61.455 62.100 -0.065 0.000 1.005 482 T CB 1.750 70.549 68.868 -0.115 0.000 1.377 482 T HN 0.326 nan 8.240 nan 0.000 0.504 483 T N -1.121 113.410 114.554 -0.039 0.000 2.949 483 T HA 0.616 4.966 4.350 0.001 0.000 0.287 483 T C 0.013 174.693 174.700 -0.032 0.000 1.034 483 T CA -0.746 61.340 62.100 -0.025 0.000 1.018 483 T CB 0.942 69.800 68.868 -0.018 0.000 1.135 483 T HN 0.833 nan 8.240 nan 0.000 0.532 484 C N 3.344 122.632 119.300 -0.020 0.000 2.350 484 C HA 0.695 5.156 4.460 0.001 0.000 0.348 484 C C -2.164 172.814 174.990 -0.019 0.000 1.260 484 C CA -1.757 57.247 59.018 -0.023 0.000 1.966 484 C CB 0.180 27.915 27.740 -0.008 0.000 2.380 484 C HN 0.792 nan 8.230 nan 0.000 0.535 485 P HA 0.302 nan 4.420 nan 0.000 0.251 485 P C -0.396 176.899 177.300 -0.008 0.000 1.718 485 P CA 0.299 63.388 63.100 -0.018 0.000 1.119 485 P CB 0.528 32.212 31.700 -0.027 0.000 1.762 486 K N 1.274 121.673 120.400 -0.001 0.000 3.179 486 K HA 0.056 4.377 4.320 0.001 0.000 0.217 486 K C 0.419 177.024 176.600 0.010 0.000 2.086 486 K CA 0.436 56.728 56.287 0.008 0.000 1.488 486 K CB -0.054 32.453 32.500 0.013 0.000 2.388 486 K HN 0.378 nan 8.250 nan 0.000 0.586 487 C N -1.023 118.282 119.300 0.009 0.000 4.154 487 C HA 0.615 5.075 4.460 0.001 0.000 0.359 487 C C 0.997 175.991 174.990 0.007 0.000 1.702 487 C CA 0.017 59.040 59.018 0.009 0.000 1.900 487 C CB 0.497 28.244 27.740 0.012 0.000 3.051 487 C HN 0.707 nan 8.230 nan 0.000 0.670 488 G N 0.685 109.488 108.800 0.005 0.000 2.173 488 G HA2 0.323 4.283 3.960 0.001 0.000 0.174 488 G HA3 0.323 4.283 3.960 0.001 0.000 0.174 488 G C 0.193 175.096 174.900 0.004 0.000 1.025 488 G CA 0.098 45.200 45.100 0.003 0.000 0.706 488 G HN 1.127 nan 8.290 nan 0.000 0.499 489 G N -0.491 108.313 108.800 0.006 0.000 2.753 489 G HA2 0.865 4.825 3.960 0.001 0.000 0.285 489 G HA3 0.865 4.825 3.960 0.001 0.000 0.285 489 G C -2.407 172.498 174.900 0.009 0.000 1.344 489 G CA -0.901 44.205 45.100 0.009 0.000 1.050 489 G HN 0.253 nan 8.290 nan 0.000 0.532 490 P HA 0.565 nan 4.420 nan 0.000 0.285 490 P C -0.606 176.709 177.300 0.025 0.000 1.259 490 P CA -0.061 63.051 63.100 0.019 0.000 0.794 490 P CB 1.766 33.480 31.700 0.024 0.000 0.940 491 A N 2.269 125.105 122.820 0.026 0.000 2.533 491 A HA 0.826 5.147 4.320 0.001 0.000 0.293 491 A C -1.272 176.337 177.584 0.043 0.000 1.228 491 A CA -0.608 51.446 52.037 0.028 0.000 0.689 491 A CB 1.590 20.589 19.000 -0.002 0.000 1.303 491 A HN 0.500 nan 8.150 nan 0.000 0.444 492 K N 0.847 121.265 120.400 0.030 0.000 2.651 492 K HA 0.308 4.629 4.320 0.001 0.000 0.259 492 K C -1.044 175.502 176.600 -0.091 0.000 1.017 492 K CA -0.421 55.887 56.287 0.035 0.000 0.897 492 K CB 1.193 33.751 32.500 0.097 0.000 1.262 492 K HN 0.777 nan 8.250 nan 0.000 0.460 493 R N 1.987 122.369 120.500 -0.196 0.000 2.623 493 R HA -0.031 4.309 4.340 0.001 0.000 0.271 493 R C -0.165 175.984 176.300 -0.252 0.000 1.043 493 R CA -0.050 55.863 56.100 -0.312 0.000 1.083 493 R CB 0.329 30.306 30.300 -0.539 0.000 0.974 493 R HN 0.562 nan 8.270 nan 0.000 0.436 494 D N 0.670 120.911 120.400 -0.265 0.000 2.424 494 D HA -0.033 4.607 4.640 0.001 0.000 0.244 494 D C 0.749 177.090 176.300 0.069 0.000 1.134 494 D CA 0.270 54.203 54.000 -0.112 0.000 0.881 494 D CB 1.019 41.771 40.800 -0.081 0.000 1.191 494 D HN 0.557 nan 8.370 nan 0.000 0.445 495 T N -0.559 114.080 114.554 0.141 0.000 3.122 495 T HA 0.143 4.493 4.350 0.001 0.000 0.250 495 T C 0.309 175.098 174.700 0.147 0.000 1.067 495 T CA -0.477 61.748 62.100 0.208 0.000 0.966 495 T CB 0.107 69.061 68.868 0.142 0.000 1.002 495 T HN 0.207 nan 8.240 nan 0.000 0.542 496 D N 2.552 123.015 120.400 0.105 0.000 2.388 496 D HA 0.465 5.106 4.640 0.001 0.000 0.254 496 D C 0.384 176.637 176.300 -0.079 0.000 1.111 496 D CA -0.085 53.949 54.000 0.056 0.000 0.993 496 D CB 1.838 42.719 40.800 0.134 0.000 1.118 496 D HN 0.417 nan 8.370 nan 0.000 0.502 497 T N -2.515 111.968 114.554 -0.119 0.000 2.910 497 T HA 0.672 5.022 4.350 0.001 0.000 0.287 497 T C 0.198 174.728 174.700 -0.284 0.000 1.050 497 T CA -0.895 61.053 62.100 -0.253 0.000 1.011 497 T CB 1.306 70.029 68.868 -0.242 0.000 1.195 497 T HN 0.182 nan 8.240 nan 0.000 0.540 498 M N 1.455 120.820 119.600 -0.391 0.000 2.409 498 M HA 0.400 4.881 4.480 0.001 0.000 0.329 498 M C -0.121 176.076 176.300 -0.173 0.000 1.180 498 M CA -0.682 54.417 55.300 -0.335 0.000 1.053 498 M CB 1.210 33.500 32.600 -0.516 0.000 1.586 498 M HN 0.755 nan 8.290 nan 0.000 0.461 499 D N 0.619 121.011 120.400 -0.013 0.000 2.357 499 D HA 0.093 4.734 4.640 0.001 0.000 0.242 499 D C 0.718 177.139 176.300 0.201 0.000 1.153 499 D CA 0.218 54.306 54.000 0.147 0.000 0.918 499 D CB 1.118 42.101 40.800 0.305 0.000 1.181 499 D HN 0.620 nan 8.370 nan 0.000 0.435 500 T N 1.665 116.345 114.554 0.210 0.000 2.624 500 T HA -0.233 4.117 4.350 0.001 0.000 0.268 500 T C 1.692 176.530 174.700 0.230 0.000 1.041 500 T CA 1.445 63.640 62.100 0.158 0.000 1.159 500 T CB -0.563 68.314 68.868 0.017 0.000 0.863 500 T HN 0.425 nan 8.240 nan 0.000 0.434 501 F N 0.151 120.350 119.950 0.415 0.000 2.408 501 F HA 0.104 4.632 4.527 0.001 0.000 0.300 501 F C 1.881 178.002 175.800 0.535 0.000 1.090 501 F CA 0.104 58.408 58.000 0.507 0.000 1.427 501 F CB -0.678 38.646 39.000 0.541 0.000 1.070 501 F HN 0.071 nan 8.300 nan 0.000 0.549 502 F N 1.901 122.121 119.950 0.450 0.000 2.046 502 F HA -0.269 4.259 4.527 0.001 0.000 0.297 502 F C 2.490 178.502 175.800 0.353 0.000 1.123 502 F CA 2.126 60.296 58.000 0.283 0.000 1.199 502 F CB -0.642 38.431 39.000 0.121 0.000 0.972 502 F HN 0.066 nan 8.300 nan 0.000 0.474 503 D N -0.709 120.114 120.400 0.705 0.000 2.218 503 D HA -0.178 4.463 4.640 0.001 0.000 0.204 503 D C 2.196 178.736 176.300 0.400 0.000 0.976 503 D CA 1.345 55.735 54.000 0.651 0.000 0.853 503 D CB -1.048 40.090 40.800 0.565 0.000 0.939 503 D HN 0.445 nan 8.370 nan 0.000 0.481 504 S N 0.204 116.147 115.700 0.406 0.000 2.489 504 S HA -0.027 4.444 4.470 0.001 0.000 0.228 504 S C 1.805 176.765 174.600 0.600 0.000 0.995 504 S CA 0.345 58.831 58.200 0.478 0.000 0.934 504 S CB -0.167 63.282 63.200 0.415 0.000 0.771 504 S HN 0.070 nan 8.310 nan 0.000 0.522 505 S N 0.914 116.788 115.700 0.291 0.000 2.603 505 S HA 0.140 4.610 4.470 0.001 0.000 0.220 505 S C 0.768 175.295 174.600 -0.122 0.000 0.967 505 S CA 0.376 58.550 58.200 -0.043 0.000 0.920 505 S CB -0.401 62.270 63.200 -0.882 0.000 0.773 505 S HN 0.992 nan 8.310 nan 0.000 0.529 506 W N 0.060 121.161 121.300 -0.331 0.000 1.460 506 W HA 0.234 4.894 4.660 0.001 0.000 0.226 506 W C 0.434 176.530 176.519 -0.704 0.000 0.808 506 W CA -0.552 56.362 57.345 -0.718 0.000 1.278 506 W CB -1.123 28.203 29.460 -0.224 0.000 0.927 506 W HN 0.336 nan 8.180 nan 0.000 0.442 507 Y N 1.473 121.219 120.300 -0.923 0.000 2.274 507 Y HA -0.187 4.364 4.550 0.001 0.000 0.290 507 Y C 2.527 177.859 175.900 -0.946 0.000 1.145 507 Y CA 1.911 59.385 58.100 -1.044 0.000 1.203 507 Y CB -1.577 36.224 38.460 -1.099 0.000 0.984 507 Y HN -0.002 nan 8.280 nan 0.000 0.533 508 Y N -0.305 119.304 120.300 -1.151 0.000 2.241 508 Y HA -0.154 4.397 4.550 0.001 0.000 0.286 508 Y C 1.913 177.595 175.900 -0.363 0.000 1.166 508 Y CA 1.184 58.895 58.100 -0.650 0.000 1.203 508 Y CB -1.123 37.064 38.460 -0.456 0.000 0.977 508 Y HN 0.219 nan 8.280 nan 0.000 0.529 509 L N -0.291 120.484 121.223 -0.748 0.000 2.162 509 L HA -0.033 4.307 4.340 0.001 0.000 0.205 509 L C 2.733 179.307 176.870 -0.493 0.000 1.086 509 L CA 1.004 55.466 54.840 -0.629 0.000 0.778 509 L CB -0.376 41.189 42.059 -0.823 0.000 0.928 509 L HN 0.159 nan 8.230 nan 0.000 0.446 510 R N 0.162 120.386 120.500 -0.460 0.000 2.091 510 R HA -0.226 4.114 4.340 0.001 0.000 0.238 510 R C 2.130 178.308 176.300 -0.202 0.000 1.136 510 R CA 1.785 57.697 56.100 -0.313 0.000 0.959 510 R CB -0.914 29.071 30.300 -0.524 0.000 0.856 510 R HN 0.176 nan 8.270 nan 0.000 0.437 511 Y N 0.683 120.859 120.300 -0.207 0.000 2.181 511 Y HA -0.260 4.290 4.550 0.001 0.000 0.284 511 Y C 2.449 178.238 175.900 -0.185 0.000 1.179 511 Y CA 1.953 59.940 58.100 -0.188 0.000 1.179 511 Y CB -1.300 37.063 38.460 -0.160 0.000 0.973 511 Y HN 0.373 nan 8.280 nan 0.000 0.519 512 T N -2.898 111.658 114.554 0.004 0.000 3.007 512 T HA -0.092 4.259 4.350 0.001 0.000 0.270 512 T C 0.301 174.992 174.700 -0.015 0.000 1.107 512 T CA 1.324 63.404 62.100 -0.033 0.000 1.118 512 T CB -0.104 68.757 68.868 -0.011 0.000 0.889 512 T HN 0.206 nan 8.240 nan 0.000 0.506 513 D N 0.907 121.295 120.400 -0.021 0.000 2.634 513 D HA 0.241 4.882 4.640 0.001 0.000 0.236 513 D C -2.498 173.765 176.300 -0.061 0.000 1.323 513 D CA -1.549 52.445 54.000 -0.010 0.000 0.884 513 D CB 1.363 42.190 40.800 0.045 0.000 1.496 513 D HN -0.035 nan 8.370 nan 0.000 0.525 514 P HA 0.053 nan 4.420 nan 0.000 0.241 514 P C -0.086 177.002 177.300 -0.353 0.000 1.191 514 P CA 0.482 63.395 63.100 -0.312 0.000 0.771 514 P CB 0.040 31.440 31.700 -0.499 0.000 0.929 515 H N -1.557 117.568 119.070 0.092 0.000 2.651 515 H HA 0.241 4.798 4.556 0.001 0.000 0.241 515 H C 0.071 175.454 175.328 0.091 0.000 1.225 515 H CA -0.609 55.505 56.048 0.111 0.000 0.942 515 H CB -0.066 29.751 29.762 0.092 0.000 1.996 515 H HN -0.069 nan 8.280 nan 0.000 0.600 516 N N 2.166 120.936 118.700 0.115 0.000 2.422 516 N HA -0.038 4.703 4.740 0.001 0.000 0.264 516 N C 0.340 175.953 175.510 0.171 0.000 1.063 516 N CA 0.025 53.088 53.050 0.023 0.000 0.959 516 N CB 0.981 39.350 38.487 -0.197 0.000 1.087 516 N HN 0.519 nan 8.380 nan 0.000 0.483 517 D N 2.857 123.392 120.400 0.225 0.000 2.349 517 D HA 0.041 4.682 4.640 0.001 0.000 0.214 517 D C 0.675 177.207 176.300 0.386 0.000 1.063 517 D CA 0.223 54.444 54.000 0.368 0.000 0.847 517 D CB 0.471 41.391 40.800 0.200 0.000 0.933 517 D HN 0.349 nan 8.370 nan 0.000 0.513 518 R N -0.069 120.544 120.500 0.188 0.000 2.142 518 R HA 0.394 4.735 4.340 0.001 0.000 0.204 518 R C 0.921 177.162 176.300 -0.098 0.000 1.059 518 R CA 0.195 56.357 56.100 0.103 0.000 1.055 518 R CB 0.830 31.120 30.300 -0.017 0.000 0.976 518 R HN 0.182 nan 8.270 nan 0.000 0.483 519 L N -0.050 120.727 121.223 -0.743 0.000 2.277 519 L HA 0.357 4.698 4.340 0.001 0.000 0.254 519 L C -1.893 173.422 176.870 -2.592 0.000 1.044 519 L CA -2.277 51.667 54.840 -1.494 0.000 0.842 519 L CB 2.368 43.819 42.059 -1.013 0.000 1.422 519 L HN -0.254 nan 8.230 nan 0.000 0.422 520 P HA -0.108 nan 4.420 nan 0.000 0.218 520 P C -0.753 176.084 177.300 -0.771 0.000 1.148 520 P CA 1.501 63.601 63.100 -1.667 0.000 0.822 520 P CB 0.143 31.075 31.700 -1.280 0.000 0.784 521 F N -4.821 114.700 119.950 -0.715 0.000 2.858 521 F HA 0.533 5.060 4.527 0.001 0.000 0.319 521 F C -1.582 174.012 175.800 -0.343 0.000 1.166 521 F CA -1.717 56.047 58.000 -0.393 0.000 0.899 521 F CB 0.294 39.179 39.000 -0.193 0.000 1.332 521 F HN -0.454 nan 8.300 nan 0.000 0.461 522 D N 1.885 122.305 120.400 0.033 0.000 2.359 522 D HA 0.454 5.094 4.640 0.001 0.000 0.230 522 D C -1.994 174.383 176.300 0.128 0.000 1.118 522 D CA -2.599 51.385 54.000 -0.026 0.000 0.844 522 D CB 1.766 42.561 40.800 -0.008 0.000 1.059 522 D HN 0.207 nan 8.370 nan 0.000 0.493 523 P HA -0.117 nan 4.420 nan 0.000 0.223 523 P C 1.023 178.371 177.300 0.080 0.000 1.144 523 P CA 0.708 63.882 63.100 0.122 0.000 0.783 523 P CB 0.374 32.071 31.700 -0.005 0.000 0.771 524 E N 0.272 120.500 120.200 0.046 0.000 2.047 524 E HA -0.191 4.160 4.350 0.001 0.000 0.191 524 E C 1.675 178.313 176.600 0.063 0.000 0.987 524 E CA 1.120 57.541 56.400 0.036 0.000 0.799 524 E CB -0.016 29.697 29.700 0.022 0.000 0.752 524 E HN 0.133 nan 8.360 nan 0.000 0.449 525 K N 0.416 120.875 120.400 0.098 0.000 1.973 525 K HA -0.110 4.210 4.320 0.001 0.000 0.212 525 K C 2.283 178.982 176.600 0.165 0.000 1.047 525 K CA 1.030 57.409 56.287 0.153 0.000 0.937 525 K CB -0.662 31.928 32.500 0.149 0.000 0.721 525 K HN 0.121 nan 8.250 nan 0.000 0.440 526 A N 2.720 125.607 122.820 0.112 0.000 1.903 526 A HA -0.251 4.069 4.320 0.001 0.000 0.219 526 A C 1.964 179.551 177.584 0.004 0.000 1.191 526 A CA 2.143 54.172 52.037 -0.012 0.000 0.638 526 A CB -0.667 18.223 19.000 -0.183 0.000 0.823 526 A HN 0.320 nan 8.150 nan 0.000 0.451 527 N N -0.323 118.392 118.700 0.025 0.000 2.459 527 N HA 0.030 4.771 4.740 0.001 0.000 0.181 527 N C 1.606 177.094 175.510 -0.036 0.000 1.046 527 N CA 1.115 54.160 53.050 -0.007 0.000 0.904 527 N CB -0.323 38.165 38.487 0.002 0.000 0.964 527 N HN 0.521 nan 8.380 nan 0.000 0.444 528 A N -1.309 121.494 122.820 -0.030 0.000 2.021 528 A HA 0.017 4.338 4.320 0.001 0.000 0.216 528 A C 1.581 179.013 177.584 -0.253 0.000 1.163 528 A CA 0.422 52.367 52.037 -0.154 0.000 0.676 528 A CB -0.486 18.403 19.000 -0.184 0.000 0.818 528 A HN 0.345 nan 8.150 nan 0.000 0.453 529 W N -1.084 120.185 121.300 -0.052 0.000 3.107 529 W HA 0.347 5.008 4.660 0.001 0.000 0.293 529 W C 0.461 176.863 176.519 -0.194 0.000 1.239 529 W CA -0.477 56.848 57.345 -0.034 0.000 1.653 529 W CB 0.341 29.843 29.460 0.069 0.000 1.068 529 W HN 0.011 nan 8.180 nan 0.000 0.615 530 M N 1.885 121.448 119.600 -0.062 0.000 2.288 530 M HA 0.289 4.769 4.480 0.001 0.000 0.334 530 M C -1.922 174.303 176.300 -0.125 0.000 1.150 530 M CA -2.278 52.902 55.300 -0.200 0.000 1.118 530 M CB -0.224 32.260 32.600 -0.194 0.000 1.501 530 M HN -0.317 nan 8.290 nan 0.000 0.462 531 P HA 0.263 nan 4.420 nan 0.000 0.282 531 P C -0.690 176.514 177.300 -0.161 0.000 1.287 531 P CA -0.610 62.390 63.100 -0.166 0.000 0.792 531 P CB 0.378 32.018 31.700 -0.101 0.000 1.163 532 V N 1.926 121.759 119.914 -0.135 0.000 2.425 532 V HA -0.044 4.076 4.120 0.001 0.000 0.276 532 V C 1.083 177.295 176.094 0.197 0.000 1.017 532 V CA 0.804 63.181 62.300 0.128 0.000 1.062 532 V CB -0.730 31.272 31.823 0.299 0.000 0.997 532 V HN 0.463 nan 8.190 nan 0.000 0.476 533 D N 3.000 123.535 120.400 0.225 0.000 2.178 533 D HA -0.027 4.614 4.640 0.001 0.000 0.202 533 D C 0.845 177.238 176.300 0.154 0.000 0.974 533 D CA 1.265 55.352 54.000 0.146 0.000 0.841 533 D CB 0.135 41.000 40.800 0.108 0.000 0.953 533 D HN 0.654 nan 8.370 nan 0.000 0.478 534 Q N -1.045 118.875 119.800 0.201 0.000 2.331 534 Q HA 0.231 4.572 4.340 0.001 0.000 0.249 534 Q C -1.880 174.257 176.000 0.229 0.000 0.913 534 Q CA -0.544 55.364 55.803 0.175 0.000 0.874 534 Q CB 1.357 30.161 28.738 0.111 0.000 1.384 534 Q HN 0.048 nan 8.270 nan 0.000 0.427 535 Y N 3.854 124.152 120.300 -0.004 0.000 2.331 535 Y HA 0.604 5.154 4.550 0.001 0.000 0.338 535 Y C -1.230 174.586 175.900 -0.140 0.000 0.976 535 Y CA -1.210 56.806 58.100 -0.139 0.000 1.137 535 Y CB 0.625 38.820 38.460 -0.442 0.000 1.172 535 Y HN 0.598 nan 8.280 nan 0.000 0.478 536 I N 5.397 125.795 120.570 -0.285 0.000 2.412 536 I HA 0.725 4.895 4.170 0.001 0.000 0.296 536 I C 0.615 176.437 176.117 -0.492 0.000 0.987 536 I CA 0.334 61.482 61.300 -0.252 0.000 1.180 536 I CB 1.581 39.533 38.000 -0.081 0.000 1.340 536 I HN 0.800 nan 8.210 nan 0.000 0.455 537 G N 3.650 112.200 108.800 -0.417 0.000 2.294 537 G HA2 0.270 4.231 3.960 0.001 0.000 0.061 537 G HA3 0.270 4.231 3.960 0.001 0.000 0.061 537 G C -0.149 174.578 174.900 -0.289 0.000 0.835 537 G CA -0.091 44.775 45.100 -0.391 0.000 1.182 537 G HN 0.831 nan 8.290 nan 0.000 0.449 538 G N -0.157 108.512 108.800 -0.219 0.000 2.377 538 G HA2 0.558 4.518 3.960 0.001 0.000 0.299 538 G HA3 0.558 4.518 3.960 0.001 0.000 0.299 538 G C 0.860 175.682 174.900 -0.130 0.000 1.150 538 G CA 0.492 45.550 45.100 -0.071 0.000 0.847 538 G HN 1.022 nan 8.290 nan 0.000 0.501 539 V N 1.571 121.409 119.914 -0.126 0.000 3.129 539 V HA -0.037 4.084 4.120 0.001 0.000 0.259 539 V C 2.277 178.319 176.094 -0.086 0.000 1.116 539 V CA 1.710 63.939 62.300 -0.119 0.000 1.127 539 V CB -0.241 31.513 31.823 -0.116 0.000 0.742 539 V HN 0.872 nan 8.190 nan 0.000 0.474 540 E N -0.769 119.381 120.200 -0.083 0.000 2.415 540 E HA -0.087 4.264 4.350 0.001 0.000 0.197 540 E C 1.151 177.643 176.600 -0.180 0.000 1.007 540 E CA 0.477 56.801 56.400 -0.127 0.000 0.890 540 E CB -0.330 29.286 29.700 -0.141 0.000 0.891 540 E HN 0.653 nan 8.360 nan 0.000 0.496 541 H N 0.877 119.921 119.070 -0.043 0.000 2.592 541 H HA 0.372 4.929 4.556 0.001 0.000 0.291 541 H C 1.427 176.700 175.328 -0.091 0.000 1.052 541 H CA 0.496 56.531 56.048 -0.022 0.000 1.175 541 H CB 0.409 30.227 29.762 0.094 0.000 1.378 541 H HN 0.292 nan 8.280 nan 0.000 0.576 542 A N 0.940 123.727 122.820 -0.055 0.000 1.858 542 A HA -0.134 4.187 4.320 0.001 0.000 0.216 542 A C 2.181 179.677 177.584 -0.146 0.000 1.190 542 A CA 1.967 53.968 52.037 -0.060 0.000 0.617 542 A CB -0.542 18.421 19.000 -0.062 0.000 0.827 542 A HN 0.304 nan 8.150 nan 0.000 0.443 543 V N -3.367 116.332 119.914 -0.359 0.000 3.271 543 V HA 0.459 4.579 4.120 0.001 0.000 0.327 543 V C 1.125 176.684 176.094 -0.892 0.000 1.389 543 V CA 0.137 62.040 62.300 -0.662 0.000 1.156 543 V CB -0.549 30.625 31.823 -1.081 0.000 1.103 543 V HN 0.349 nan 8.190 nan 0.000 0.453 544 L N -0.297 120.495 121.223 -0.718 0.000 3.013 544 L HA 0.390 4.731 4.340 0.001 0.000 0.181 544 L C 2.413 178.807 176.870 -0.795 0.000 1.369 544 L CA 0.857 55.069 54.840 -1.046 0.000 1.743 544 L CB -0.727 40.813 42.059 -0.865 0.000 1.790 544 L HN 0.350 nan 8.230 nan 0.000 0.899 545 H N 0.291 119.235 119.070 -0.209 0.000 2.326 545 H HA -0.031 4.526 4.556 0.001 0.000 0.301 545 H C 1.802 177.257 175.328 0.212 0.000 1.081 545 H CA 1.627 57.813 56.048 0.229 0.000 1.334 545 H CB -0.075 29.953 29.762 0.443 0.000 1.385 545 H HN 0.129 nan 8.280 nan 0.000 0.504 546 L N 0.386 121.671 121.223 0.103 0.000 2.675 546 L HA -0.018 4.322 4.340 0.001 0.000 0.238 546 L C 1.415 178.415 176.870 0.217 0.000 1.155 546 L CA 0.059 55.012 54.840 0.188 0.000 0.881 546 L CB -0.025 42.135 42.059 0.168 0.000 1.008 546 L HN 0.385 nan 8.230 nan 0.000 0.443 547 L N -2.429 118.794 121.223 -0.001 0.000 2.546 547 L HA 0.087 4.428 4.340 0.001 0.000 0.182 547 L C 2.093 179.020 176.870 0.095 0.000 1.167 547 L CA 1.025 55.862 54.840 -0.005 0.000 0.845 547 L CB -0.720 41.233 42.059 -0.176 0.000 1.134 547 L HN -0.092 nan 8.230 nan 0.000 0.500 548 Y N 1.035 121.303 120.300 -0.054 0.000 2.108 548 Y HA -0.318 4.232 4.550 0.001 0.000 0.274 548 Y C 2.880 178.912 175.900 0.220 0.000 1.229 548 Y CA 1.717 59.827 58.100 0.017 0.000 1.129 548 Y CB -1.675 36.631 38.460 -0.257 0.000 0.946 548 Y HN 0.293 nan 8.280 nan 0.000 0.509 549 S N -0.422 115.406 115.700 0.213 0.000 2.399 549 S HA -0.175 4.295 4.470 0.001 0.000 0.231 549 S C 2.002 176.697 174.600 0.158 0.000 1.022 549 S CA 1.308 59.589 58.200 0.135 0.000 0.983 549 S CB -0.202 62.938 63.200 -0.099 0.000 0.803 549 S HN 0.474 nan 8.310 nan 0.000 0.480 550 R N 0.303 120.879 120.500 0.127 0.000 2.062 550 R HA -0.002 4.338 4.340 0.001 0.000 0.229 550 R C 2.075 178.469 176.300 0.157 0.000 1.128 550 R CA 1.286 57.423 56.100 0.063 0.000 0.960 550 R CB -0.627 29.697 30.300 0.039 0.000 0.855 550 R HN 0.397 nan 8.270 nan 0.000 0.432 551 F N 1.811 121.814 119.950 0.088 0.000 2.024 551 F HA -0.301 4.227 4.527 0.001 0.000 0.296 551 F C 1.771 177.597 175.800 0.043 0.000 1.137 551 F CA 1.249 59.254 58.000 0.007 0.000 1.200 551 F CB -0.999 38.087 39.000 0.143 0.000 0.954 551 F HN -0.147 nan 8.300 nan 0.000 0.497 552 F N 1.220 120.940 119.950 -0.385 0.000 2.048 552 F HA -0.349 4.178 4.527 0.001 0.000 0.296 552 F C 2.745 178.471 175.800 -0.122 0.000 1.109 552 F CA 2.725 60.534 58.000 -0.320 0.000 1.214 552 F CB -1.512 37.446 39.000 -0.070 0.000 0.963 552 F HN 0.043 nan 8.300 nan 0.000 0.491 553 T N -0.398 114.260 114.554 0.173 0.000 2.684 553 T HA -0.239 4.112 4.350 0.001 0.000 0.267 553 T C 1.941 176.671 174.700 0.050 0.000 1.036 553 T CA 1.858 64.013 62.100 0.092 0.000 1.148 553 T CB -0.295 68.582 68.868 0.015 0.000 0.863 553 T HN 0.207 nan 8.240 nan 0.000 0.436 554 K N 0.140 120.551 120.400 0.018 0.000 2.097 554 K HA -0.056 4.265 4.320 0.001 0.000 0.206 554 K C 1.984 178.669 176.600 0.141 0.000 1.049 554 K CA 1.175 57.506 56.287 0.073 0.000 0.933 554 K CB -0.301 32.246 32.500 0.078 0.000 0.717 554 K HN 0.295 nan 8.250 nan 0.000 0.442 555 F N 1.782 121.567 119.950 -0.274 0.000 2.113 555 F HA -0.115 4.412 4.527 0.001 0.000 0.297 555 F C 1.607 177.367 175.800 -0.066 0.000 1.103 555 F CA 1.282 59.149 58.000 -0.222 0.000 1.248 555 F CB -0.404 38.225 39.000 -0.617 0.000 0.999 555 F HN -0.131 nan 8.300 nan 0.000 0.475 556 L N -0.171 120.807 121.223 -0.409 0.000 2.017 556 L HA -0.262 4.079 4.340 0.001 0.000 0.208 556 L C 2.821 179.591 176.870 -0.167 0.000 1.073 556 L CA 1.815 56.417 54.840 -0.395 0.000 0.745 556 L CB -1.377 40.620 42.059 -0.103 0.000 0.894 556 L HN 0.334 nan 8.230 nan 0.000 0.432 557 H N 0.548 119.562 119.070 -0.094 0.000 2.390 557 H HA -0.223 4.333 4.556 0.001 0.000 0.298 557 H C 1.519 176.830 175.328 -0.028 0.000 1.106 557 H CA 2.009 58.036 56.048 -0.035 0.000 1.297 557 H CB 0.077 29.840 29.762 0.001 0.000 1.375 557 H HN 0.346 nan 8.280 nan 0.000 0.509 558 D N 0.656 121.077 120.400 0.036 0.000 2.178 558 D HA -0.075 4.565 4.640 0.001 0.000 0.202 558 D C 2.471 178.701 176.300 -0.116 0.000 0.974 558 D CA 0.524 54.537 54.000 0.020 0.000 0.841 558 D CB -0.041 40.916 40.800 0.262 0.000 0.953 558 D HN 0.433 nan 8.370 nan 0.000 0.478 559 L N -0.893 120.195 121.223 -0.226 0.000 2.395 559 L HA 0.103 4.444 4.340 0.001 0.000 0.218 559 L C 1.719 178.483 176.870 -0.177 0.000 1.130 559 L CA 0.875 55.585 54.840 -0.216 0.000 0.826 559 L CB -0.207 41.666 42.059 -0.311 0.000 0.941 559 L HN 0.164 nan 8.230 nan 0.000 0.451 560 G N -0.527 108.147 108.800 -0.210 0.000 2.201 560 G HA2 -0.279 3.681 3.960 0.001 0.000 0.212 560 G HA3 -0.279 3.681 3.960 0.001 0.000 0.212 560 G C 0.735 175.555 174.900 -0.132 0.000 0.994 560 G CA 0.195 45.179 45.100 -0.193 0.000 0.644 560 G HN 0.255 nan 8.290 nan 0.000 0.508 561 M N 0.576 120.108 119.600 -0.113 0.000 2.628 561 M HA 0.386 4.867 4.480 0.001 0.000 0.232 561 M C 0.055 176.445 176.300 0.150 0.000 1.128 561 M CA 0.759 56.040 55.300 -0.031 0.000 1.040 561 M CB 0.548 33.040 32.600 -0.179 0.000 1.608 561 M HN 0.077 nan 8.290 nan 0.000 0.507 562 V N -0.894 119.062 119.914 0.069 0.000 2.969 562 V HA 0.181 4.302 4.120 0.001 0.000 0.304 562 V C 0.210 176.377 176.094 0.122 0.000 1.192 562 V CA -1.036 61.319 62.300 0.092 0.000 0.962 562 V CB 2.476 34.351 31.823 0.087 0.000 1.045 562 V HN 0.078 nan 8.190 nan 0.000 0.428 563 K N 1.536 122.001 120.400 0.109 0.000 2.308 563 K HA 0.232 4.553 4.320 0.001 0.000 0.197 563 K C 0.451 177.150 176.600 0.164 0.000 1.049 563 K CA 0.819 57.198 56.287 0.153 0.000 0.991 563 K CB 0.889 33.419 32.500 0.051 0.000 0.836 563 K HN 0.727 nan 8.250 nan 0.000 0.500 564 V N 0.055 119.999 119.914 0.050 0.000 2.465 564 V HA 0.264 4.385 4.120 0.001 0.000 0.279 564 V C 0.446 176.479 176.094 -0.101 0.000 1.045 564 V CA -0.424 61.848 62.300 -0.046 0.000 0.938 564 V CB 1.673 33.451 31.823 -0.076 0.000 0.986 564 V HN 0.164 nan 8.190 nan 0.000 0.467 565 E N 1.738 121.806 120.200 -0.220 0.000 2.158 565 E HA 0.029 4.380 4.350 0.001 0.000 0.191 565 E C 0.162 176.655 176.600 -0.179 0.000 0.982 565 E CA 0.672 56.910 56.400 -0.271 0.000 0.823 565 E CB 0.277 29.759 29.700 -0.364 0.000 0.766 565 E HN 0.784 nan 8.360 nan 0.000 0.468 566 E N 1.078 121.166 120.200 -0.187 0.000 2.156 566 E HA 0.077 4.428 4.350 0.001 0.000 0.279 566 E C -1.790 174.642 176.600 -0.280 0.000 0.965 566 E CA -1.957 54.310 56.400 -0.222 0.000 0.789 566 E CB 1.405 30.979 29.700 -0.210 0.000 1.098 566 E HN 0.027 nan 8.360 nan 0.000 0.397 567 P HA -0.055 nan 4.420 nan 0.000 0.215 567 P C 0.078 177.011 177.300 -0.612 0.000 1.157 567 P CA 0.886 63.545 63.100 -0.734 0.000 0.856 567 P CB 0.169 30.992 31.700 -1.460 0.000 0.786 568 F N 0.570 120.435 119.950 -0.141 0.000 2.391 568 F HA 0.387 4.914 4.527 0.001 0.000 0.359 568 F C 1.982 177.904 175.800 0.204 0.000 1.122 568 F CA -0.725 57.271 58.000 -0.006 0.000 1.120 568 F CB 0.388 39.406 39.000 0.031 0.000 1.142 568 F HN -0.106 nan 8.300 nan 0.000 0.483 569 Q N 2.358 122.321 119.800 0.272 0.000 2.062 569 Q HA 0.158 4.499 4.340 0.001 0.000 0.196 569 Q C 0.677 176.870 176.000 0.322 0.000 0.967 569 Q CA 0.858 56.786 55.803 0.209 0.000 0.832 569 Q CB 0.247 29.046 28.738 0.101 0.000 0.899 569 Q HN 0.895 nan 8.270 nan 0.000 0.442 570 G N 0.611 109.594 108.800 0.305 0.000 2.542 570 G HA2 0.519 4.480 3.960 0.001 0.000 0.311 570 G HA3 0.519 4.480 3.960 0.001 0.000 0.311 570 G C -2.025 172.982 174.900 0.178 0.000 1.298 570 G CA -0.477 44.781 45.100 0.263 0.000 0.973 570 G HN 0.142 nan 8.290 nan 0.000 0.487 571 L N 1.949 123.203 121.223 0.052 0.000 2.491 571 L HA 0.710 5.051 4.340 0.001 0.000 0.267 571 L C -1.847 175.005 176.870 -0.030 0.000 0.971 571 L CA -1.154 53.580 54.840 -0.176 0.000 0.857 571 L CB 1.390 42.955 42.059 -0.825 0.000 1.226 571 L HN 0.473 nan 8.230 nan 0.000 0.408 572 F N 4.124 123.983 119.950 -0.152 0.000 2.420 572 F HA 0.707 5.235 4.527 0.001 0.000 0.342 572 F C 0.559 176.266 175.800 -0.157 0.000 1.113 572 F CA -0.156 57.777 58.000 -0.112 0.000 1.059 572 F CB 1.496 40.464 39.000 -0.053 0.000 1.128 572 F HN 0.733 nan 8.300 nan 0.000 0.475 573 T N 2.781 116.854 114.554 -0.802 0.000 2.927 573 T HA 0.493 4.844 4.350 0.001 0.000 0.281 573 T C -0.719 173.444 174.700 -0.895 0.000 0.998 573 T CA -0.877 60.823 62.100 -0.666 0.000 1.019 573 T CB 1.680 70.293 68.868 -0.425 0.000 1.061 573 T HN 0.544 nan 8.240 nan 0.000 0.518 574 Q N 0.418 119.928 119.800 -0.483 0.000 2.353 574 Q HA 0.508 4.848 4.340 0.001 0.000 0.268 574 Q C 0.122 175.992 176.000 -0.217 0.000 1.045 574 Q CA -0.653 54.949 55.803 -0.335 0.000 0.811 574 Q CB 2.068 30.677 28.738 -0.215 0.000 1.305 574 Q HN 1.059 nan 8.270 nan 0.000 0.447 575 G N 2.101 110.811 108.800 -0.151 0.000 2.432 575 G HA2 0.350 4.310 3.960 0.001 0.000 0.257 575 G HA3 0.350 4.310 3.960 0.001 0.000 0.257 575 G C 0.235 175.091 174.900 -0.075 0.000 1.238 575 G CA -0.406 44.638 45.100 -0.094 0.000 0.838 575 G HN 0.449 nan 8.290 nan 0.000 0.547 576 M N 0.755 120.317 119.600 -0.064 0.000 2.207 576 M HA 0.142 4.623 4.480 0.001 0.000 0.311 576 M C 0.027 176.300 176.300 -0.045 0.000 1.127 576 M CA -0.142 55.124 55.300 -0.055 0.000 1.181 576 M CB 0.992 33.568 32.600 -0.040 0.000 1.409 576 M HN 0.081 nan 8.290 nan 0.000 0.461 577 V N 2.795 122.678 119.914 -0.052 0.000 2.439 577 V HA 0.370 4.490 4.120 0.001 0.000 0.282 577 V C -0.206 175.869 176.094 -0.031 0.000 1.039 577 V CA -0.627 61.651 62.300 -0.036 0.000 0.913 577 V CB 1.223 33.001 31.823 -0.074 0.000 0.983 577 V HN 0.507 nan 8.190 nan 0.000 0.460 578 L N 3.608 124.827 121.223 -0.007 0.000 2.303 578 L HA 0.986 5.326 4.340 0.001 0.000 0.266 578 L C 0.066 176.952 176.870 0.026 0.000 1.011 578 L CA -0.325 54.501 54.840 -0.023 0.000 0.818 578 L CB 1.980 43.995 42.059 -0.073 0.000 1.326 578 L HN 0.842 nan 8.230 nan 0.000 0.435 579 A N 0.286 123.116 122.820 0.016 0.000 2.549 579 A HA 0.608 4.929 4.320 0.001 0.000 0.297 579 A C -2.060 175.589 177.584 0.109 0.000 1.061 579 A CA -0.652 51.452 52.037 0.112 0.000 0.690 579 A CB 0.454 19.588 19.000 0.224 0.000 1.287 579 A HN 0.549 nan 8.150 nan 0.000 0.402 580 W N 1.533 122.946 121.300 0.188 0.000 2.347 580 W HA 0.394 5.054 4.660 0.001 0.000 0.333 580 W C 0.275 176.980 176.519 0.311 0.000 1.383 580 W CA 0.959 58.449 57.345 0.242 0.000 1.283 580 W CB 0.680 30.278 29.460 0.229 0.000 1.253 580 W HN 0.546 nan 8.180 nan 0.000 0.563 581 T N 3.491 118.277 114.554 0.388 0.000 2.792 581 T HA 0.033 4.383 4.350 0.001 0.000 0.280 581 T C -0.560 173.884 174.700 -0.426 0.000 0.990 581 T CA -0.845 61.218 62.100 -0.061 0.000 0.960 581 T CB 1.136 69.739 68.868 -0.442 0.000 0.939 581 T HN 0.305 nan 8.240 nan 0.000 0.439 582 D N 2.698 122.562 120.400 -0.893 0.000 2.363 582 D HA 0.044 4.684 4.640 0.001 0.000 0.263 582 D C -0.975 174.843 176.300 -0.803 0.000 1.258 582 D CA 0.113 53.290 54.000 -1.371 0.000 0.907 582 D CB 0.217 40.005 40.800 -1.687 0.000 1.107 582 D HN 0.269 nan 8.370 nan 0.000 0.495 583 F N 2.821 122.576 119.950 -0.325 0.000 2.307 583 F HA 0.346 4.874 4.527 0.001 0.000 0.369 583 F C 1.224 176.919 175.800 -0.175 0.000 1.076 583 F CA -0.143 57.753 58.000 -0.172 0.000 1.149 583 F CB 1.162 40.109 39.000 -0.088 0.000 1.410 583 F HN 0.566 nan 8.300 nan 0.000 0.481 584 G N 3.981 112.781 108.800 -0.001 0.000 2.740 584 G HA2 -0.198 3.762 3.960 0.001 0.000 0.250 584 G HA3 -0.198 3.762 3.960 0.001 0.000 0.250 584 G C -3.006 171.622 174.900 -0.452 0.000 1.358 584 G CA -1.165 43.875 45.100 -0.099 0.000 0.897 584 G HN 0.394 nan 8.290 nan 0.000 0.567 585 P HA 0.702 nan 4.420 nan 0.000 0.281 585 P C -0.118 177.004 177.300 -0.295 0.000 1.281 585 P CA 0.164 62.873 63.100 -0.650 0.000 0.811 585 P CB 1.563 33.044 31.700 -0.366 0.000 1.154 586 V N -4.470 115.318 119.914 -0.210 0.000 3.203 586 V HA 0.625 4.745 4.120 0.001 0.000 0.305 586 V C -1.051 175.013 176.094 -0.049 0.000 1.361 586 V CA -0.889 61.355 62.300 -0.092 0.000 1.066 586 V CB 1.891 33.681 31.823 -0.055 0.000 1.085 586 V HN 0.420 nan 8.190 nan 0.000 0.456 587 E N -0.005 120.182 120.200 -0.022 0.000 2.288 587 E HA 0.685 5.035 4.350 0.001 0.000 0.268 587 E C -1.651 174.952 176.600 0.006 0.000 0.885 587 E CA -0.663 55.733 56.400 -0.005 0.000 0.767 587 E CB 2.755 32.451 29.700 -0.006 0.000 1.220 587 E HN 0.620 nan 8.360 nan 0.000 0.427 588 V N 2.191 122.112 119.914 0.012 0.000 2.539 588 V HA 0.242 4.362 4.120 0.001 0.000 0.292 588 V C 0.141 176.242 176.094 0.013 0.000 1.045 588 V CA -0.272 62.038 62.300 0.016 0.000 0.945 588 V CB 1.429 33.265 31.823 0.021 0.000 0.993 588 V HN 0.690 nan 8.190 nan 0.000 0.464 589 E N 2.169 122.376 120.200 0.013 0.000 4.170 589 E HA 0.440 4.791 4.350 0.001 0.000 0.199 589 E C 0.669 177.276 176.600 0.011 0.000 1.080 589 E CA 0.696 57.102 56.400 0.011 0.000 1.446 589 E CB 0.311 30.017 29.700 0.009 0.000 1.170 589 E HN 0.907 nan 8.360 nan 0.000 0.429 590 G N 0.956 109.763 108.800 0.013 0.000 4.754 590 G HA2 -0.387 3.574 3.960 0.001 0.000 0.222 590 G HA3 -0.387 3.574 3.960 0.001 0.000 0.222 590 G C 0.808 175.716 174.900 0.013 0.000 1.377 590 G CA 0.754 45.861 45.100 0.012 0.000 0.942 590 G HN 1.055 nan 8.290 nan 0.000 0.671 591 S N -1.183 114.525 115.700 0.012 0.000 3.073 591 S HA 0.631 5.102 4.470 0.001 0.000 0.252 591 S C -0.444 174.164 174.600 0.013 0.000 0.953 591 S CA 0.531 58.739 58.200 0.013 0.000 1.105 591 S CB 1.031 64.239 63.200 0.012 0.000 1.070 591 S HN 1.364 nan 8.310 nan 0.000 0.574 592 V N 1.642 121.563 119.914 0.013 0.000 2.555 592 V HA 0.359 4.479 4.120 0.001 0.000 0.283 592 V C -0.456 175.645 176.094 0.012 0.000 1.020 592 V CA -0.639 61.668 62.300 0.012 0.000 0.883 592 V CB 1.694 33.523 31.823 0.010 0.000 1.030 592 V HN 0.316 nan 8.190 nan 0.000 0.448 593 V N 6.033 125.955 119.914 0.014 0.000 2.370 593 V HA 0.277 4.397 4.120 0.001 0.000 0.257 593 V C 0.849 176.948 176.094 0.008 0.000 1.064 593 V CA -0.272 62.035 62.300 0.013 0.000 0.975 593 V CB 0.175 32.009 31.823 0.019 0.000 1.067 593 V HN 0.691 nan 8.190 nan 0.000 0.485 594 R N 4.690 125.192 120.500 0.004 0.000 2.267 594 R HA 0.389 4.729 4.340 0.001 0.000 0.319 594 R C -0.416 175.880 176.300 -0.006 0.000 1.067 594 R CA -0.425 55.674 56.100 -0.000 0.000 0.936 594 R CB 1.004 31.303 30.300 -0.000 0.000 1.006 594 R HN 0.563 nan 8.270 nan 0.000 0.452 595 L N 5.799 127.017 121.223 -0.008 0.000 2.312 595 L HA 0.358 4.699 4.340 0.001 0.000 0.281 595 L C -1.929 174.929 176.870 -0.020 0.000 1.070 595 L CA -1.883 52.947 54.840 -0.016 0.000 0.805 595 L CB 1.340 43.390 42.059 -0.015 0.000 1.174 595 L HN 0.400 nan 8.230 nan 0.000 0.434 596 P HA 0.165 nan 4.420 nan 0.000 0.312 596 P C -0.334 176.950 177.300 -0.027 0.000 1.307 596 P CA -0.274 62.809 63.100 -0.028 0.000 0.738 596 P CB 0.595 32.271 31.700 -0.039 0.000 1.422 597 E N -1.360 118.825 120.200 -0.025 0.000 2.354 597 E HA 0.090 4.440 4.350 0.001 0.000 0.203 597 E C -1.112 175.474 176.600 -0.024 0.000 0.841 597 E CA 0.763 57.150 56.400 -0.023 0.000 1.046 597 E CB -1.783 27.907 29.700 -0.017 0.000 1.040 597 E HN 0.324 nan 8.360 nan 0.000 0.504 598 P HA -0.015 nan 4.420 nan 0.000 0.225 598 P C 1.077 178.366 177.300 -0.019 0.000 1.148 598 P CA 1.308 64.397 63.100 -0.017 0.000 0.779 598 P CB 0.041 31.734 31.700 -0.012 0.000 0.780 599 T N -1.211 113.324 114.554 -0.032 0.000 2.894 599 T HA -0.028 4.323 4.350 0.001 0.000 0.258 599 T C 1.875 176.540 174.700 -0.059 0.000 1.043 599 T CA 0.600 62.679 62.100 -0.035 0.000 1.141 599 T CB -0.316 68.522 68.868 -0.050 0.000 0.873 599 T HN 0.088 nan 8.240 nan 0.000 0.449 600 R N 0.884 121.350 120.500 -0.056 0.000 2.091 600 R HA -0.027 4.314 4.340 0.001 0.000 0.238 600 R C 2.325 178.577 176.300 -0.080 0.000 1.136 600 R CA 1.164 57.224 56.100 -0.066 0.000 0.959 600 R CB -0.568 29.706 30.300 -0.045 0.000 0.856 600 R HN 0.355 nan 8.270 nan 0.000 0.437 601 I N 0.781 121.314 120.570 -0.060 0.000 2.147 601 I HA -0.344 3.826 4.170 0.001 0.000 0.245 601 I C 1.313 177.377 176.117 -0.087 0.000 1.059 601 I CA 1.685 62.951 61.300 -0.055 0.000 1.320 601 I CB -0.137 37.844 38.000 -0.032 0.000 1.021 601 I HN 0.212 nan 8.210 nan 0.000 0.415 602 R N 0.067 120.490 120.500 -0.128 0.000 2.978 602 R HA 0.292 4.632 4.340 0.001 0.000 0.298 602 R C 0.766 176.794 176.300 -0.453 0.000 1.296 602 R CA -0.053 55.913 56.100 -0.223 0.000 1.181 602 R CB 0.321 30.544 30.300 -0.129 0.000 1.348 602 R HN 0.417 nan 8.270 nan 0.000 0.585 603 L N -0.484 120.563 121.223 -0.293 0.000 2.746 603 L HA 0.164 4.505 4.340 0.001 0.000 0.230 603 L C -0.383 176.393 176.870 -0.158 0.000 1.034 603 L CA 0.007 54.679 54.840 -0.280 0.000 0.922 603 L CB 0.629 42.556 42.059 -0.220 0.000 1.496 603 L HN 0.239 nan 8.230 nan 0.000 0.498 604 E N 2.075 122.210 120.200 -0.110 0.000 4.734 604 E HA -0.126 4.224 4.350 0.001 0.000 0.167 604 E C -1.008 175.561 176.600 -0.051 0.000 1.498 604 E CA 0.510 56.870 56.400 -0.067 0.000 1.080 604 E CB -1.445 28.220 29.700 -0.058 0.000 1.040 604 E HN 0.480 nan 8.360 nan 0.000 0.357 605 I N -1.958 118.588 120.570 -0.041 0.000 3.149 605 I HA 0.525 4.696 4.170 0.001 0.000 0.310 605 I C -2.095 174.010 176.117 -0.020 0.000 1.343 605 I CA -2.128 59.155 61.300 -0.028 0.000 0.955 605 I CB 1.475 39.457 38.000 -0.030 0.000 1.309 605 I HN -0.070 nan 8.210 nan 0.000 0.478 606 P HA 0.341 nan 4.420 nan 0.000 0.264 606 P C 0.001 177.297 177.300 -0.007 0.000 1.259 606 P CA 0.462 63.557 63.100 -0.008 0.000 0.841 606 P CB 0.650 32.348 31.700 -0.004 0.000 1.232 607 E N -0.643 119.552 120.200 -0.008 0.000 2.254 607 E HA 0.485 4.835 4.350 0.001 0.000 0.258 607 E C -0.233 176.361 176.600 -0.009 0.000 1.033 607 E CA -0.553 55.843 56.400 -0.006 0.000 0.893 607 E CB 0.992 30.690 29.700 -0.002 0.000 1.204 607 E HN -0.296 nan 8.360 nan 0.000 0.425 608 S N -0.174 115.522 115.700 -0.007 0.000 2.977 608 S HA 0.491 4.962 4.470 0.001 0.000 0.250 608 S C -1.221 173.376 174.600 -0.005 0.000 1.005 608 S CA -0.031 58.163 58.200 -0.009 0.000 1.081 608 S CB 0.809 64.003 63.200 -0.009 0.000 1.018 608 S HN 0.540 nan 8.310 nan 0.000 0.539 609 A N 0.448 123.267 122.820 -0.001 0.000 2.571 609 A HA 0.709 5.029 4.320 0.001 0.000 0.296 609 A C -1.337 176.252 177.584 0.008 0.000 1.005 609 A CA -0.506 51.533 52.037 0.003 0.000 0.682 609 A CB 0.339 19.341 19.000 0.003 0.000 1.292 609 A HN 0.251 nan 8.150 nan 0.000 0.420 610 L N -0.022 121.209 121.223 0.012 0.000 3.054 610 L HA 0.780 5.121 4.340 0.001 0.000 0.223 610 L C 0.637 177.518 176.870 0.018 0.000 1.669 610 L CA 0.243 55.092 54.840 0.016 0.000 2.378 610 L CB 0.860 42.931 42.059 0.021 0.000 2.242 610 L HN 1.485 nan 8.230 nan 0.000 0.692 611 S N -1.866 113.847 115.700 0.023 0.000 2.636 611 S HA 0.233 4.703 4.470 0.001 0.000 0.266 611 S C -0.269 174.348 174.600 0.028 0.000 1.116 611 S CA -0.768 57.446 58.200 0.023 0.000 0.893 611 S CB 0.752 63.964 63.200 0.019 0.000 1.171 611 S HN 0.254 nan 8.310 nan 0.000 0.482 612 L N 1.032 122.270 121.223 0.026 0.000 2.465 612 L HA 0.158 4.498 4.340 0.001 0.000 0.224 612 L C 2.147 179.035 176.870 0.030 0.000 1.145 612 L CA 1.081 55.938 54.840 0.028 0.000 0.834 612 L CB -0.423 41.650 42.059 0.023 0.000 0.944 612 L HN 0.716 nan 8.230 nan 0.000 0.451 613 E N -0.791 119.425 120.200 0.028 0.000 2.244 613 E HA -0.072 4.279 4.350 0.001 0.000 0.196 613 E C 0.946 177.565 176.600 0.032 0.000 0.939 613 E CA 0.421 56.838 56.400 0.028 0.000 0.884 613 E CB 0.338 30.052 29.700 0.023 0.000 0.850 613 E HN 0.346 nan 8.360 nan 0.000 0.481 614 D N -0.058 120.361 120.400 0.031 0.000 2.366 614 D HA -0.014 4.627 4.640 0.001 0.000 0.205 614 D C 1.723 178.047 176.300 0.040 0.000 1.022 614 D CA 0.292 54.311 54.000 0.032 0.000 0.868 614 D CB 0.594 41.409 40.800 0.025 0.000 0.953 614 D HN -0.048 nan 8.370 nan 0.000 0.514 615 V N 0.509 120.451 119.914 0.046 0.000 2.535 615 V HA -0.066 4.054 4.120 0.001 0.000 0.246 615 V C 2.420 178.562 176.094 0.080 0.000 1.045 615 V CA 0.996 63.333 62.300 0.061 0.000 1.058 615 V CB -0.249 31.612 31.823 0.063 0.000 0.689 615 V HN 0.093 nan 8.190 nan 0.000 0.461 616 R N 0.863 121.406 120.500 0.071 0.000 2.081 616 R HA -0.149 4.191 4.340 0.001 0.000 0.235 616 R C 2.078 178.429 176.300 0.086 0.000 1.131 616 R CA 1.468 57.617 56.100 0.082 0.000 0.960 616 R CB -0.128 30.209 30.300 0.062 0.000 0.856 616 R HN 0.410 nan 8.270 nan 0.000 0.436 617 K N 0.451 120.890 120.400 0.065 0.000 2.574 617 K HA -0.071 4.250 4.320 0.001 0.000 0.193 617 K C 0.819 177.455 176.600 0.061 0.000 1.035 617 K CA 0.856 57.178 56.287 0.058 0.000 0.982 617 K CB 0.071 32.596 32.500 0.042 0.000 0.795 617 K HN 0.399 nan 8.250 nan 0.000 0.491 618 M N -2.494 117.152 119.600 0.076 0.000 3.004 618 M HA 0.356 4.837 4.480 0.001 0.000 0.365 618 M C -0.045 176.324 176.300 0.115 0.000 1.317 618 M CA -0.593 54.752 55.300 0.075 0.000 0.821 618 M CB 0.793 33.428 32.600 0.059 0.000 1.387 618 M HN -0.003 nan 8.290 nan 0.000 0.501 619 G N 1.400 110.290 108.800 0.151 0.000 2.274 619 G HA2 0.089 4.050 3.960 0.001 0.000 0.251 619 G HA3 0.089 4.050 3.960 0.001 0.000 0.251 619 G C -0.290 174.849 174.900 0.399 0.000 0.836 619 G CA 0.253 45.503 45.100 0.249 0.000 1.246 619 G HN 1.377 nan 8.290 nan 0.000 0.355 620 A N 1.743 124.806 122.820 0.405 0.000 2.532 620 A HA 0.793 5.113 4.320 0.001 0.000 0.296 620 A C -0.287 177.427 177.584 0.217 0.000 1.058 620 A CA 0.066 52.347 52.037 0.406 0.000 0.729 620 A CB 1.143 20.321 19.000 0.297 0.000 1.285 620 A HN 1.374 nan 8.150 nan 0.000 0.396 621 E N 1.708 121.980 120.200 0.120 0.000 2.299 621 E HA 0.811 5.162 4.350 0.001 0.000 0.260 621 E C -1.296 175.359 176.600 0.091 0.000 0.944 621 E CA -1.005 55.388 56.400 -0.011 0.000 0.815 621 E CB 1.640 31.182 29.700 -0.263 0.000 1.252 621 E HN 0.469 nan 8.360 nan 0.000 0.418 622 L N 1.744 122.997 121.223 0.051 0.000 2.324 622 L HA 0.484 4.825 4.340 0.001 0.000 0.274 622 L C -0.381 176.542 176.870 0.088 0.000 1.012 622 L CA -0.582 54.328 54.840 0.115 0.000 0.859 622 L CB 0.810 42.917 42.059 0.081 0.000 1.224 622 L HN 0.398 nan 8.230 nan 0.000 0.429 623 R N 2.993 123.600 120.500 0.178 0.000 2.445 623 R HA 0.537 4.877 4.340 0.001 0.000 0.308 623 R C -2.509 173.950 176.300 0.266 0.000 0.961 623 R CA -1.943 54.227 56.100 0.117 0.000 0.862 623 R CB 1.431 31.675 30.300 -0.095 0.000 1.144 623 R HN 0.196 nan 8.270 nan 0.000 0.447 624 P HA -0.047 nan 4.420 nan 0.000 0.272 624 P C -0.552 176.917 177.300 0.282 0.000 1.248 624 P CA 0.118 63.342 63.100 0.207 0.000 0.799 624 P CB 0.585 32.352 31.700 0.113 0.000 0.997 625 H N -0.616 118.509 119.070 0.092 0.000 3.742 625 H HA 0.282 4.839 4.556 0.001 0.000 0.342 625 H C -0.222 175.115 175.328 0.015 0.000 1.682 625 H CA -0.441 55.617 56.048 0.018 0.000 1.177 625 H CB 1.371 31.043 29.762 -0.151 0.000 1.602 625 H HN 0.307 nan 8.280 nan 0.000 0.699 626 E N 0.792 120.888 120.200 -0.173 0.000 2.496 626 E HA 0.044 4.395 4.350 0.001 0.000 0.200 626 E C -0.641 175.984 176.600 0.041 0.000 1.016 626 E CA 0.010 56.360 56.400 -0.082 0.000 0.962 626 E CB 0.359 29.960 29.700 -0.165 0.000 1.071 626 E HN 0.319 nan 8.360 nan 0.000 0.457 627 D N -0.712 119.770 120.400 0.137 0.000 2.908 627 D HA 0.075 4.716 4.640 0.001 0.000 0.361 627 D C 0.928 177.313 176.300 0.142 0.000 1.416 627 D CA -0.366 53.719 54.000 0.143 0.000 0.796 627 D CB -0.024 40.885 40.800 0.181 0.000 1.185 627 D HN 0.143 nan 8.370 nan 0.000 0.451 628 G N 1.199 110.068 108.800 0.115 0.000 2.280 628 G HA2 -0.297 3.663 3.960 0.001 0.000 0.282 628 G HA3 -0.297 3.663 3.960 0.001 0.000 0.282 628 G C 0.386 175.351 174.900 0.109 0.000 1.000 628 G CA 1.182 46.339 45.100 0.095 0.000 0.751 628 G HN 0.871 nan 8.290 nan 0.000 0.515 629 T N -2.351 112.301 114.554 0.163 0.000 2.893 629 T HA 0.683 5.034 4.350 0.001 0.000 0.293 629 T C 0.023 174.853 174.700 0.216 0.000 1.027 629 T CA -1.032 61.159 62.100 0.152 0.000 0.988 629 T CB 2.395 71.336 68.868 0.122 0.000 1.043 629 T HN 0.341 nan 8.240 nan 0.000 0.461 630 L N 3.350 124.655 121.223 0.137 0.000 2.455 630 L HA 0.257 4.598 4.340 0.001 0.000 0.272 630 L C 0.718 177.671 176.870 0.138 0.000 1.174 630 L CA -0.032 54.901 54.840 0.155 0.000 0.869 630 L CB 0.187 42.303 42.059 0.095 0.000 1.130 630 L HN 0.620 nan 8.230 nan 0.000 0.474 631 H N 3.689 122.835 119.070 0.127 0.000 2.524 631 H HA 0.370 4.926 4.556 0.001 0.000 0.353 631 H C -0.775 174.638 175.328 0.143 0.000 1.136 631 H CA -0.834 55.252 56.048 0.062 0.000 1.193 631 H CB 2.484 32.232 29.762 -0.022 0.000 1.558 631 H HN 0.419 nan 8.280 nan 0.000 0.515 632 L N 3.259 124.523 121.223 0.068 0.000 2.312 632 L HA 0.259 4.599 4.340 0.001 0.000 0.281 632 L C -1.332 175.586 176.870 0.081 0.000 1.070 632 L CA -0.418 54.517 54.840 0.157 0.000 0.805 632 L CB 0.498 42.624 42.059 0.111 0.000 1.174 632 L HN 0.488 nan 8.230 nan 0.000 0.434 633 W N 5.195 126.603 121.300 0.181 0.000 2.781 633 W HA 0.649 5.310 4.660 0.001 0.000 0.345 633 W C -0.601 176.161 176.519 0.405 0.000 1.085 633 W CA -0.666 56.822 57.345 0.239 0.000 1.198 633 W CB 1.367 30.926 29.460 0.164 0.000 1.423 633 W HN 0.248 nan 8.180 nan 0.000 0.532 634 K N 1.966 122.769 120.400 0.672 0.000 2.542 634 K HA 0.361 4.682 4.320 0.001 0.000 0.259 634 K C -2.940 173.871 176.600 0.352 0.000 0.932 634 K CA -1.917 54.706 56.287 0.560 0.000 0.820 634 K CB 2.602 35.391 32.500 0.481 0.000 1.345 634 K HN -0.004 nan 8.250 nan 0.000 0.432 635 P HA 0.189 nan 4.420 nan 0.000 0.274 635 P C -1.446 175.839 177.300 -0.025 0.000 1.291 635 P CA -0.143 62.822 63.100 -0.224 0.000 0.815 635 P CB 0.920 32.259 31.700 -0.602 0.000 0.897 636 A N 3.494 126.348 122.820 0.057 0.000 2.384 636 A HA 0.464 4.784 4.320 0.001 0.000 0.312 636 A C -0.308 177.303 177.584 0.046 0.000 1.113 636 A CA -0.858 51.241 52.037 0.104 0.000 0.779 636 A CB 1.112 20.276 19.000 0.274 0.000 1.307 636 A HN 0.234 nan 8.150 nan 0.000 0.436 637 V N 3.162 123.101 119.914 0.042 0.000 2.500 637 V HA -0.092 4.028 4.120 0.001 0.000 0.267 637 V C 0.989 177.086 176.094 0.005 0.000 0.977 637 V CA 0.663 62.973 62.300 0.018 0.000 1.151 637 V CB -1.016 30.823 31.823 0.026 0.000 1.013 637 V HN 0.870 nan 8.190 nan 0.000 0.467 638 M N 6.574 126.154 119.600 -0.034 0.000 2.290 638 M HA 0.213 4.693 4.480 0.001 0.000 0.356 638 M C 0.357 176.576 176.300 -0.136 0.000 1.448 638 M CA 0.962 56.194 55.300 -0.112 0.000 0.993 638 M CB 0.030 32.538 32.600 -0.155 0.000 1.934 638 M HN 0.898 nan 8.290 nan 0.000 0.461 639 S N 3.274 118.862 115.700 -0.187 0.000 2.683 639 S HA 0.270 4.740 4.470 0.001 0.000 0.269 639 S C 0.112 174.669 174.600 -0.071 0.000 1.165 639 S CA -0.692 57.458 58.200 -0.083 0.000 0.840 639 S CB 1.228 64.474 63.200 0.078 0.000 1.169 639 S HN 0.868 nan 8.310 nan 0.000 0.490 640 K N 0.737 121.186 120.400 0.081 0.000 1.991 640 K HA -0.087 4.233 4.320 0.001 0.000 0.212 640 K C 2.191 178.832 176.600 0.069 0.000 1.049 640 K CA 2.083 58.429 56.287 0.098 0.000 0.932 640 K CB -0.813 31.792 32.500 0.174 0.000 0.717 640 K HN 0.553 nan 8.250 nan 0.000 0.441 641 S N 0.201 115.945 115.700 0.073 0.000 2.419 641 S HA -0.103 4.368 4.470 0.001 0.000 0.235 641 S C 1.509 176.140 174.600 0.051 0.000 1.019 641 S CA 1.236 59.472 58.200 0.059 0.000 0.982 641 S CB -0.138 63.095 63.200 0.056 0.000 0.789 641 S HN 0.284 nan 8.310 nan 0.000 0.490 642 K N 0.088 120.510 120.400 0.037 0.000 2.356 642 K HA 0.184 4.504 4.320 0.001 0.000 0.195 642 K C 1.299 177.886 176.600 -0.022 0.000 1.037 642 K CA 0.692 56.998 56.287 0.032 0.000 1.014 642 K CB -0.559 31.962 32.500 0.034 0.000 0.815 642 K HN 0.462 nan 8.250 nan 0.000 0.507 643 G N 3.787 112.573 108.800 -0.022 0.000 2.333 643 G HA2 -0.248 3.713 3.960 0.001 0.000 0.296 643 G HA3 -0.248 3.713 3.960 0.001 0.000 0.296 643 G C 0.122 174.988 174.900 -0.056 0.000 1.059 643 G CA 0.727 45.811 45.100 -0.028 0.000 1.050 643 G HN 0.483 nan 8.290 nan 0.000 0.508 644 N N -1.189 117.468 118.700 -0.072 0.000 2.067 644 N HA 0.231 4.971 4.740 0.001 0.000 0.227 644 N C 1.004 176.481 175.510 -0.055 0.000 1.348 644 N CA 0.627 53.647 53.050 -0.050 0.000 0.879 644 N CB -0.111 38.337 38.487 -0.065 0.000 1.109 644 N HN 0.816 nan 8.380 nan 0.000 0.501 645 G N 0.600 109.308 108.800 -0.154 0.000 2.403 645 G HA2 0.426 4.387 3.960 0.001 0.000 0.259 645 G HA3 0.426 4.387 3.960 0.001 0.000 0.259 645 G C -0.457 174.371 174.900 -0.120 0.000 1.244 645 G CA -0.368 44.566 45.100 -0.277 0.000 0.849 645 G HN 0.048 nan 8.290 nan 0.000 0.532 646 V N 4.467 124.307 119.914 -0.123 0.000 2.352 646 V HA 0.059 4.179 4.120 0.001 0.000 0.253 646 V C 0.613 176.695 176.094 -0.021 0.000 1.083 646 V CA -0.346 61.932 62.300 -0.036 0.000 0.993 646 V CB 0.112 31.872 31.823 -0.105 0.000 1.111 646 V HN 0.647 nan 8.190 nan 0.000 0.490 647 M N 4.320 123.959 119.600 0.066 0.000 2.245 647 M HA 0.097 4.578 4.480 0.001 0.000 0.330 647 M C 1.119 177.491 176.300 0.119 0.000 1.098 647 M CA 0.589 55.949 55.300 0.101 0.000 1.172 647 M CB 1.119 33.778 32.600 0.099 0.000 1.467 647 M HN 0.410 nan 8.290 nan 0.000 0.454 648 V N 2.140 122.121 119.914 0.110 0.000 2.346 648 V HA -0.066 4.055 4.120 0.001 0.000 0.244 648 V C 2.030 178.250 176.094 0.209 0.000 1.037 648 V CA 1.988 64.376 62.300 0.145 0.000 1.029 648 V CB -1.859 30.031 31.823 0.111 0.000 0.663 648 V HN 1.117 nan 8.190 nan 0.000 0.454 649 G N 1.404 110.290 108.800 0.143 0.000 2.672 649 G HA2 -0.254 3.707 3.960 0.001 0.000 0.218 649 G HA3 -0.254 3.707 3.960 0.001 0.000 0.218 649 G C -0.102 174.887 174.900 0.149 0.000 1.238 649 G CA 1.620 46.794 45.100 0.123 0.000 0.791 649 G HN 0.513 nan 8.290 nan 0.000 0.606 650 P HA -0.141 nan 4.420 nan 0.000 0.215 650 P C 1.711 179.128 177.300 0.196 0.000 1.157 650 P CA 1.062 64.249 63.100 0.145 0.000 0.874 650 P CB -0.199 31.586 31.700 0.142 0.000 0.790 651 F N 0.300 120.327 119.950 0.129 0.000 2.134 651 F HA -0.202 4.325 4.527 0.001 0.000 0.299 651 F C 1.896 177.807 175.800 0.184 0.000 1.097 651 F CA 1.342 59.446 58.000 0.174 0.000 1.264 651 F CB -0.745 38.380 39.000 0.208 0.000 1.001 651 F HN -0.307 nan 8.300 nan 0.000 0.479 652 V N 1.193 121.314 119.914 0.345 0.000 2.343 652 V HA -0.313 3.808 4.120 0.001 0.000 0.247 652 V C 2.378 178.549 176.094 0.128 0.000 1.051 652 V CA 2.057 64.501 62.300 0.240 0.000 1.036 652 V CB -0.864 31.109 31.823 0.250 0.000 0.654 652 V HN 0.267 nan 8.190 nan 0.000 0.451 653 K N 0.346 120.825 120.400 0.131 0.000 2.148 653 K HA -0.135 4.186 4.320 0.001 0.000 0.204 653 K C 1.829 178.514 176.600 0.141 0.000 1.050 653 K CA 1.180 57.548 56.287 0.135 0.000 0.942 653 K CB -0.139 32.395 32.500 0.057 0.000 0.724 653 K HN 0.456 nan 8.250 nan 0.000 0.446 654 E N -0.306 119.930 120.200 0.060 0.000 2.498 654 E HA 0.052 4.402 4.350 0.001 0.000 0.203 654 E C 1.088 177.681 176.600 -0.012 0.000 1.013 654 E CA 0.152 56.574 56.400 0.036 0.000 0.927 654 E CB 0.554 30.242 29.700 -0.020 0.000 1.012 654 E HN 0.103 nan 8.360 nan 0.000 0.482 655 Q N -2.088 117.610 119.800 -0.169 0.000 2.497 655 Q HA 0.359 4.700 4.340 0.001 0.000 0.201 655 Q C 0.711 176.645 176.000 -0.110 0.000 0.724 655 Q CA 0.897 56.604 55.803 -0.160 0.000 0.923 655 Q CB 1.554 29.978 28.738 -0.524 0.000 1.302 655 Q HN 0.151 nan 8.270 nan 0.000 0.484 656 G N -0.041 108.664 108.800 -0.157 0.000 2.334 656 G HA2 0.357 4.317 3.960 0.001 0.000 0.249 656 G HA3 0.357 4.317 3.960 0.001 0.000 0.249 656 G C -0.483 174.545 174.900 0.214 0.000 1.327 656 G CA 0.333 45.422 45.100 -0.019 0.000 0.979 656 G HN 0.315 nan 8.290 nan 0.000 0.471 657 A N -1.674 121.240 122.820 0.158 0.000 2.018 657 A HA 0.457 4.777 4.320 0.001 0.000 0.201 657 A C 1.655 179.394 177.584 0.259 0.000 1.892 657 A CA 1.730 53.905 52.037 0.230 0.000 0.962 657 A CB -0.499 18.571 19.000 0.116 0.000 1.195 657 A HN 0.492 nan 8.150 nan 0.000 0.615 658 D N 0.875 121.391 120.400 0.192 0.000 2.218 658 D HA -0.215 4.425 4.640 0.001 0.000 0.194 658 D C 1.698 178.167 176.300 0.282 0.000 1.007 658 D CA 1.628 55.792 54.000 0.274 0.000 0.879 658 D CB -0.368 40.603 40.800 0.284 0.000 0.918 658 D HN 0.520 nan 8.370 nan 0.000 0.449 659 I N 0.846 121.591 120.570 0.292 0.000 2.058 659 I HA -0.332 3.839 4.170 0.001 0.000 0.235 659 I C 2.556 178.931 176.117 0.430 0.000 1.053 659 I CA 1.387 62.900 61.300 0.355 0.000 1.313 659 I CB -0.421 37.827 38.000 0.413 0.000 1.039 659 I HN -0.033 nan 8.210 nan 0.000 0.396 660 A N 0.762 123.912 122.820 0.550 0.000 1.903 660 A HA -0.294 4.027 4.320 0.001 0.000 0.219 660 A C 2.361 180.164 177.584 0.365 0.000 1.191 660 A CA 2.179 54.506 52.037 0.483 0.000 0.638 660 A CB -0.827 18.349 19.000 0.293 0.000 0.823 660 A HN 0.375 nan 8.150 nan 0.000 0.451 661 R N -0.761 119.914 120.500 0.292 0.000 2.082 661 R HA -0.087 4.253 4.340 0.001 0.000 0.234 661 R C 1.924 178.368 176.300 0.240 0.000 1.136 661 R CA 1.648 57.883 56.100 0.225 0.000 0.935 661 R CB -0.425 29.999 30.300 0.207 0.000 0.842 661 R HN 0.472 nan 8.270 nan 0.000 0.430 662 I N 0.863 121.590 120.570 0.263 0.000 2.830 662 I HA -0.138 4.033 4.170 0.001 0.000 0.263 662 I C 1.749 178.020 176.117 0.256 0.000 1.230 662 I CA 1.273 62.716 61.300 0.238 0.000 1.480 662 I CB -1.022 37.113 38.000 0.226 0.000 1.095 662 I HN 0.241 nan 8.210 nan 0.000 0.455 663 T N 1.318 116.042 114.554 0.283 0.000 2.737 663 T HA -0.060 4.290 4.350 0.001 0.000 0.265 663 T C 2.099 176.980 174.700 0.302 0.000 1.038 663 T CA 1.143 63.391 62.100 0.247 0.000 1.144 663 T CB -0.091 68.858 68.868 0.135 0.000 0.866 663 T HN 0.189 nan 8.240 nan 0.000 0.434 664 I N 0.565 121.356 120.570 0.368 0.000 2.179 664 I HA -0.121 4.049 4.170 0.001 0.000 0.242 664 I C 2.256 178.487 176.117 0.190 0.000 1.088 664 I CA 1.213 62.686 61.300 0.288 0.000 1.357 664 I CB -0.263 37.852 38.000 0.192 0.000 1.051 664 I HN 0.173 nan 8.210 nan 0.000 0.409 665 L N -0.768 120.567 121.223 0.187 0.000 2.046 665 L HA -0.229 4.111 4.340 0.001 0.000 0.208 665 L C 2.351 179.362 176.870 0.236 0.000 1.077 665 L CA 1.419 56.373 54.840 0.191 0.000 0.747 665 L CB -0.449 41.748 42.059 0.230 0.000 0.896 665 L HN 0.232 nan 8.230 nan 0.000 0.432 666 F N -0.054 119.934 119.950 0.063 0.000 2.530 666 F HA 0.192 4.720 4.527 0.001 0.000 0.292 666 F C 2.306 178.116 175.800 0.017 0.000 1.109 666 F CA 0.370 58.373 58.000 0.006 0.000 1.450 666 F CB -0.198 38.760 39.000 -0.070 0.000 1.114 666 F HN -0.060 nan 8.300 nan 0.000 0.560 667 A N 0.871 123.640 122.820 -0.085 0.000 1.948 667 A HA 0.256 4.576 4.320 0.001 0.000 0.220 667 A C 1.337 178.783 177.584 -0.229 0.000 1.177 667 A CA 1.543 53.479 52.037 -0.168 0.000 0.636 667 A CB -1.078 17.924 19.000 0.005 0.000 0.815 667 A HN 0.492 nan 8.150 nan 0.000 0.449 668 A N -2.353 120.384 122.820 -0.138 0.000 2.583 668 A HA 0.669 4.989 4.320 0.001 0.000 0.289 668 A C -3.137 174.423 177.584 -0.041 0.000 1.151 668 A CA -1.610 50.367 52.037 -0.099 0.000 0.695 668 A CB 0.275 19.251 19.000 -0.041 0.000 1.290 668 A HN 0.002 nan 8.150 nan 0.000 0.419 669 P HA 0.191 nan 4.420 nan 0.000 0.268 669 P C -1.890 175.472 177.300 0.104 0.000 1.205 669 P CA -0.928 62.198 63.100 0.044 0.000 0.771 669 P CB 0.404 32.124 31.700 0.034 0.000 0.858 670 P HA -0.195 nan 4.420 nan 0.000 0.215 670 P C 1.226 178.657 177.300 0.219 0.000 1.157 670 P CA 1.651 64.930 63.100 0.299 0.000 0.863 670 P CB -0.085 31.932 31.700 0.528 0.000 0.787 671 E N 0.003 120.355 120.200 0.253 0.000 2.268 671 E HA -0.101 4.249 4.350 0.001 0.000 0.195 671 E C 0.148 176.710 176.600 -0.063 0.000 0.995 671 E CA 0.631 56.988 56.400 -0.071 0.000 0.836 671 E CB -0.999 28.656 29.700 -0.074 0.000 0.763 671 E HN 0.168 nan 8.360 nan 0.000 0.491 672 N N 2.334 121.035 118.700 0.002 0.000 2.513 672 N HA 0.056 4.797 4.740 0.001 0.000 0.274 672 N C -0.352 175.144 175.510 -0.023 0.000 1.189 672 N CA -0.274 52.766 53.050 -0.016 0.000 0.975 672 N CB 0.851 39.335 38.487 -0.005 0.000 1.157 672 N HN 0.284 nan 8.380 nan 0.000 0.465 673 E N 0.421 120.600 120.200 -0.034 0.000 2.408 673 E HA 0.294 4.644 4.350 0.001 0.000 0.259 673 E C -0.349 176.236 176.600 -0.025 0.000 1.110 673 E CA -0.331 56.049 56.400 -0.034 0.000 0.929 673 E CB 0.576 30.251 29.700 -0.041 0.000 0.971 673 E HN 0.586 nan 8.360 nan 0.000 0.438 674 M N -0.410 119.181 119.600 -0.015 0.000 2.593 674 M HA 0.591 5.071 4.480 0.001 0.000 0.290 674 M C -1.674 174.632 176.300 0.009 0.000 1.244 674 M CA -1.235 54.067 55.300 0.004 0.000 0.857 674 M CB 2.282 34.908 32.600 0.042 0.000 1.738 674 M HN 0.273 nan 8.290 nan 0.000 0.461 675 V N 1.486 121.406 119.914 0.010 0.000 2.417 675 V HA 0.298 4.419 4.120 0.001 0.000 0.291 675 V C -0.991 175.185 176.094 0.137 0.000 1.024 675 V CA -0.297 62.000 62.300 -0.005 0.000 0.861 675 V CB 1.757 33.488 31.823 -0.152 0.000 0.985 675 V HN 0.985 nan 8.190 nan 0.000 0.436 676 W N 6.059 127.344 121.300 -0.025 0.000 1.864 676 W HA 0.213 4.874 4.660 0.001 0.000 0.425 676 W C 0.320 176.909 176.519 0.117 0.000 0.791 676 W CA -0.657 56.711 57.345 0.037 0.000 1.650 676 W CB 0.688 30.160 29.460 0.021 0.000 1.791 676 W HN 0.736 nan 8.180 nan 0.000 0.266 677 T N -0.102 114.413 114.554 -0.064 0.000 2.737 677 T HA 0.042 4.393 4.350 0.001 0.000 0.296 677 T C 1.012 175.573 174.700 -0.232 0.000 0.922 677 T CA -0.309 61.786 62.100 -0.007 0.000 1.079 677 T CB 1.682 70.609 68.868 0.098 0.000 0.892 677 T HN 0.532 nan 8.240 nan 0.000 0.514 678 E N 2.090 122.190 120.200 -0.167 0.000 2.209 678 E HA -0.240 4.111 4.350 0.001 0.000 0.196 678 E C 1.373 177.915 176.600 -0.097 0.000 0.993 678 E CA 1.389 57.699 56.400 -0.149 0.000 0.819 678 E CB 0.019 29.695 29.700 -0.040 0.000 0.745 678 E HN 0.859 nan 8.360 nan 0.000 0.477 679 E N -0.795 119.364 120.200 -0.068 0.000 2.219 679 E HA -0.158 4.193 4.350 0.001 0.000 0.198 679 E C 1.749 178.335 176.600 -0.023 0.000 0.998 679 E CA 1.241 57.617 56.400 -0.040 0.000 0.818 679 E CB -0.184 29.502 29.700 -0.024 0.000 0.741 679 E HN 0.399 nan 8.360 nan 0.000 0.477 680 G N -0.405 108.360 108.800 -0.057 0.000 2.656 680 G HA2 -0.053 3.908 3.960 0.001 0.000 0.211 680 G HA3 -0.053 3.908 3.960 0.001 0.000 0.211 680 G C 1.551 176.428 174.900 -0.037 0.000 1.137 680 G CA 0.002 45.083 45.100 -0.032 0.000 0.802 680 G HN 0.144 nan 8.290 nan 0.000 0.527 681 V N 0.933 120.764 119.914 -0.138 0.000 2.594 681 V HA -0.223 3.898 4.120 0.001 0.000 0.253 681 V C 2.755 178.938 176.094 0.149 0.000 1.069 681 V CA 1.902 64.178 62.300 -0.040 0.000 1.082 681 V CB -0.515 31.269 31.823 -0.065 0.000 0.680 681 V HN 0.393 nan 8.190 nan 0.000 0.469 682 Q N 0.567 120.424 119.800 0.095 0.000 2.046 682 Q HA -0.062 4.278 4.340 0.001 0.000 0.200 682 Q C 2.511 178.636 176.000 0.208 0.000 0.975 682 Q CA 1.590 57.474 55.803 0.136 0.000 0.836 682 Q CB -0.705 28.058 28.738 0.043 0.000 0.896 682 Q HN 0.657 nan 8.270 nan 0.000 0.428 683 G N 1.350 110.241 108.800 0.152 0.000 2.556 683 G HA2 -0.378 3.582 3.960 0.001 0.000 0.220 683 G HA3 -0.378 3.582 3.960 0.001 0.000 0.220 683 G C 1.493 176.532 174.900 0.232 0.000 1.156 683 G CA 1.340 46.544 45.100 0.172 0.000 0.766 683 G HN 0.454 nan 8.290 nan 0.000 0.583 684 A N 0.174 123.143 122.820 0.249 0.000 1.870 684 A HA -0.189 4.131 4.320 0.001 0.000 0.219 684 A C 2.154 179.935 177.584 0.329 0.000 1.224 684 A CA 1.998 54.211 52.037 0.294 0.000 0.650 684 A CB -1.066 18.120 19.000 0.311 0.000 0.836 684 A HN 0.508 nan 8.150 nan 0.000 0.454 685 W N -0.365 121.040 121.300 0.174 0.000 2.301 685 W HA -0.185 4.476 4.660 0.001 0.000 0.325 685 W C 2.643 179.240 176.519 0.130 0.000 1.250 685 W CA 2.233 59.675 57.345 0.162 0.000 1.261 685 W CB -0.368 29.166 29.460 0.123 0.000 1.157 685 W HN 0.270 nan 8.180 nan 0.000 0.473 686 R N -1.062 119.662 120.500 0.374 0.000 2.328 686 R HA -0.117 4.223 4.340 0.001 0.000 0.207 686 R C 1.852 178.279 176.300 0.212 0.000 1.056 686 R CA 0.962 57.207 56.100 0.242 0.000 1.016 686 R CB -0.615 29.795 30.300 0.183 0.000 0.872 686 R HN 0.206 nan 8.270 nan 0.000 0.471 687 F N 0.474 120.460 119.950 0.060 0.000 2.208 687 F HA 0.068 4.595 4.527 0.001 0.000 0.282 687 F C 1.652 177.443 175.800 -0.015 0.000 1.071 687 F CA 0.775 58.777 58.000 0.003 0.000 1.228 687 F CB -0.469 38.506 39.000 -0.042 0.000 1.088 687 F HN -0.201 nan 8.300 nan 0.000 0.512 688 L N 0.994 122.092 121.223 -0.208 0.000 2.189 688 L HA -0.286 4.055 4.340 0.001 0.000 0.214 688 L C 2.051 178.618 176.870 -0.505 0.000 1.097 688 L CA 1.215 55.768 54.840 -0.478 0.000 0.764 688 L CB -0.823 41.015 42.059 -0.368 0.000 0.900 688 L HN 0.294 nan 8.230 nan 0.000 0.436 689 N N 0.050 118.600 118.700 -0.249 0.000 2.135 689 N HA -0.106 4.634 4.740 0.001 0.000 0.186 689 N C 1.878 177.379 175.510 -0.014 0.000 1.027 689 N CA 0.988 53.982 53.050 -0.094 0.000 0.849 689 N CB -0.238 38.302 38.487 0.088 0.000 1.002 689 N HN 0.326 nan 8.380 nan 0.000 0.425 690 R N 0.811 121.289 120.500 -0.037 0.000 2.117 690 R HA -0.023 4.318 4.340 0.001 0.000 0.243 690 R C 2.255 178.600 176.300 0.075 0.000 1.143 690 R CA 0.867 57.008 56.100 0.069 0.000 0.968 690 R CB -0.368 29.927 30.300 -0.009 0.000 0.863 690 R HN 0.272 nan 8.270 nan 0.000 0.444 691 I N -0.654 119.784 120.570 -0.220 0.000 2.142 691 I HA -0.334 3.836 4.170 0.001 0.000 0.240 691 I C 2.247 178.284 176.117 -0.133 0.000 1.078 691 I CA 1.403 62.533 61.300 -0.283 0.000 1.343 691 I CB -0.493 37.262 38.000 -0.410 0.000 1.046 691 I HN 0.115 nan 8.210 nan 0.000 0.405 692 Y N 1.933 122.109 120.300 -0.206 0.000 2.053 692 Y HA -0.302 4.248 4.550 0.001 0.000 0.277 692 Y C 2.855 178.793 175.900 0.063 0.000 1.159 692 Y CA 1.769 59.826 58.100 -0.072 0.000 1.125 692 Y CB -0.365 38.048 38.460 -0.078 0.000 0.969 692 Y HN -0.049 nan 8.280 nan 0.000 0.492 693 R N -0.654 120.079 120.500 0.389 0.000 2.083 693 R HA -0.227 4.114 4.340 0.001 0.000 0.237 693 R C 2.360 178.747 176.300 0.145 0.000 1.137 693 R CA 1.760 58.054 56.100 0.323 0.000 0.951 693 R CB -0.382 30.103 30.300 0.309 0.000 0.851 693 R HN 0.140 nan 8.270 nan 0.000 0.434 694 R N 0.465 120.964 120.500 -0.002 0.000 2.193 694 R HA -0.059 4.281 4.340 0.001 0.000 0.229 694 R C 1.103 177.329 176.300 -0.122 0.000 1.110 694 R CA 1.042 56.971 56.100 -0.285 0.000 0.988 694 R CB 0.238 30.098 30.300 -0.734 0.000 0.871 694 R HN 0.076 nan 8.270 nan 0.000 0.458 695 V N -0.657 119.221 119.914 -0.059 0.000 3.271 695 V HA 0.378 4.499 4.120 0.001 0.000 0.327 695 V C 0.883 177.118 176.094 0.236 0.000 1.389 695 V CA 0.516 62.836 62.300 0.034 0.000 1.156 695 V CB 0.451 32.245 31.823 -0.048 0.000 1.103 695 V HN 0.346 nan 8.190 nan 0.000 0.453 696 A N -0.081 122.851 122.820 0.186 0.000 2.026 696 A HA 0.177 4.497 4.320 0.001 0.000 0.198 696 A C 1.893 179.563 177.584 0.144 0.000 1.390 696 A CA 0.527 52.698 52.037 0.223 0.000 0.915 696 A CB 0.088 19.274 19.000 0.308 0.000 0.974 696 A HN 0.395 nan 8.150 nan 0.000 0.477 697 E N 0.410 120.681 120.200 0.118 0.000 2.338 697 E HA -0.134 4.217 4.350 0.001 0.000 0.197 697 E C -0.277 176.346 176.600 0.038 0.000 1.007 697 E CA 1.078 57.518 56.400 0.066 0.000 0.849 697 E CB 0.119 29.849 29.700 0.049 0.000 0.774 697 E HN 0.465 nan 8.360 nan 0.000 0.506 698 D N -0.314 120.126 120.400 0.067 0.000 2.891 698 D HA 0.050 4.690 4.640 0.001 0.000 0.312 698 D C 0.740 177.143 176.300 0.172 0.000 1.354 698 D CA -0.118 53.923 54.000 0.069 0.000 0.838 698 D CB 0.453 41.288 40.800 0.057 0.000 1.117 698 D HN 0.103 nan 8.370 nan 0.000 0.473 699 R N 1.110 121.714 120.500 0.174 0.000 2.061 699 R HA -0.084 4.257 4.340 0.001 0.000 0.230 699 R C 1.820 178.211 176.300 0.152 0.000 1.140 699 R CA 1.073 57.304 56.100 0.219 0.000 0.940 699 R CB 0.214 30.475 30.300 -0.066 0.000 0.839 699 R HN 0.052 nan 8.270 nan 0.000 0.429 700 E N -0.361 119.857 120.200 0.030 0.000 2.150 700 E HA -0.150 4.201 4.350 0.001 0.000 0.193 700 E C 1.607 178.220 176.600 0.021 0.000 0.985 700 E CA 0.992 57.388 56.400 -0.006 0.000 0.814 700 E CB 0.037 29.716 29.700 -0.035 0.000 0.752 700 E HN 0.500 nan 8.360 nan 0.000 0.466 701 A N 0.319 123.160 122.820 0.035 0.000 1.968 701 A HA -0.081 4.239 4.320 0.001 0.000 0.217 701 A C 1.960 179.556 177.584 0.019 0.000 1.169 701 A CA 0.678 52.718 52.037 0.006 0.000 0.638 701 A CB -0.178 18.804 19.000 -0.029 0.000 0.812 701 A HN 0.194 nan 8.150 nan 0.000 0.446 702 L N -0.692 120.568 121.223 0.061 0.000 2.131 702 L HA 0.052 4.392 4.340 0.001 0.000 0.206 702 L C 2.292 179.184 176.870 0.038 0.000 1.087 702 L CA 0.930 55.773 54.840 0.005 0.000 0.767 702 L CB -0.622 41.310 42.059 -0.211 0.000 0.917 702 L HN 0.299 nan 8.230 nan 0.000 0.441 703 L N -0.013 121.287 121.223 0.127 0.000 2.079 703 L HA -0.217 4.123 4.340 0.001 0.000 0.210 703 L C 2.103 178.960 176.870 -0.022 0.000 1.081 703 L CA 1.505 56.362 54.840 0.028 0.000 0.752 703 L CB -0.419 41.626 42.059 -0.023 0.000 0.896 703 L HN 0.467 nan 8.230 nan 0.000 0.433 704 E N -1.598 118.594 120.200 -0.013 0.000 2.419 704 E HA 0.073 4.423 4.350 0.001 0.000 0.190 704 E C -0.275 176.314 176.600 -0.017 0.000 1.040 704 E CA -0.036 56.351 56.400 -0.022 0.000 0.900 704 E CB 0.246 29.931 29.700 -0.024 0.000 1.054 704 E HN 0.111 nan 8.360 nan 0.000 0.462 705 T N 0.372 114.917 114.554 -0.015 0.000 2.916 705 T HA 0.194 4.544 4.350 0.001 0.000 0.298 705 T C -1.108 173.592 174.700 -0.000 0.000 1.031 705 T CA -0.630 61.467 62.100 -0.005 0.000 0.993 705 T CB 1.907 70.776 68.868 0.001 0.000 1.045 705 T HN 0.058 nan 8.240 nan 0.000 0.454 706 S N 1.398 117.110 115.700 0.020 0.000 2.523 706 S HA 0.454 4.924 4.470 0.001 0.000 0.275 706 S C 1.371 176.024 174.600 0.089 0.000 1.281 706 S CA -0.411 57.814 58.200 0.042 0.000 1.050 706 S CB 0.415 63.641 63.200 0.043 0.000 0.937 706 S HN 0.907 nan 8.310 nan 0.000 0.492 707 G N 3.690 112.562 108.800 0.120 0.000 3.279 707 G HA2 0.243 4.204 3.960 0.001 0.000 0.230 707 G HA3 0.243 4.204 3.960 0.001 0.000 0.230 707 G C 0.027 175.085 174.900 0.263 0.000 1.230 707 G CA -0.160 45.059 45.100 0.200 0.000 0.891 707 G HN 0.611 nan 8.290 nan 0.000 0.518 708 V N 1.056 121.081 119.914 0.185 0.000 2.509 708 V HA 0.763 4.883 4.120 0.001 0.000 0.284 708 V C -0.233 175.992 176.094 0.218 0.000 1.047 708 V CA -0.559 61.798 62.300 0.094 0.000 0.952 708 V CB 0.265 32.111 31.823 0.037 0.000 0.988 708 V HN 0.368 nan 8.190 nan 0.000 0.469 709 F N 0.811 120.747 119.950 -0.023 0.000 2.744 709 F HA 0.497 5.024 4.527 0.001 0.000 0.311 709 F C -0.864 174.900 175.800 -0.061 0.000 1.144 709 F CA -1.178 56.797 58.000 -0.042 0.000 0.938 709 F CB 1.731 40.699 39.000 -0.054 0.000 1.292 709 F HN 0.452 nan 8.300 nan 0.000 0.444 710 Q N 1.574 121.423 119.800 0.080 0.000 2.304 710 Q HA 0.580 4.921 4.340 0.001 0.000 0.260 710 Q C 0.662 176.685 176.000 0.038 0.000 0.965 710 Q CA 0.314 56.107 55.803 -0.016 0.000 0.898 710 Q CB 1.847 30.591 28.738 0.010 0.000 1.196 710 Q HN 1.000 nan 8.270 nan 0.000 0.402 711 A N 3.913 126.666 122.820 -0.112 0.000 2.067 711 A HA -0.100 4.220 4.320 0.001 0.000 0.217 711 A C 1.254 178.748 177.584 -0.149 0.000 1.156 711 A CA 1.125 53.041 52.037 -0.202 0.000 0.683 711 A CB 0.038 18.882 19.000 -0.261 0.000 0.808 711 A HN 0.850 nan 8.150 nan 0.000 0.455 712 E N -0.204 119.960 120.200 -0.059 0.000 2.216 712 E HA 0.251 4.602 4.350 0.001 0.000 0.192 712 E C 1.920 178.515 176.600 -0.008 0.000 0.973 712 E CA 0.772 57.158 56.400 -0.024 0.000 0.851 712 E CB -0.296 29.398 29.700 -0.009 0.000 0.804 712 E HN 0.465 nan 8.360 nan 0.000 0.477 713 A N 1.063 123.882 122.820 -0.001 0.000 2.172 713 A HA 0.014 4.334 4.320 0.001 0.000 0.216 713 A C 0.788 178.376 177.584 0.007 0.000 1.154 713 A CA 0.237 52.279 52.037 0.009 0.000 0.701 713 A CB -0.663 18.347 19.000 0.017 0.000 0.789 713 A HN 0.131 nan 8.150 nan 0.000 0.465 714 L N 0.770 121.990 121.223 -0.005 0.000 2.485 714 L HA 0.204 4.545 4.340 0.001 0.000 0.275 714 L C 0.588 177.461 176.870 0.004 0.000 1.207 714 L CA 0.038 54.867 54.840 -0.019 0.000 0.855 714 L CB 0.324 42.342 42.059 -0.069 0.000 1.114 714 L HN 0.620 nan 8.230 nan 0.000 0.485 715 E N 1.098 121.305 120.200 0.012 0.000 2.459 715 E HA 0.715 5.066 4.350 0.001 0.000 0.275 715 E C 0.119 176.742 176.600 0.039 0.000 0.987 715 E CA -0.642 55.773 56.400 0.026 0.000 0.828 715 E CB 1.259 30.970 29.700 0.018 0.000 1.428 715 E HN 0.628 nan 8.360 nan 0.000 0.457 716 G N 1.186 110.012 108.800 0.042 0.000 2.564 716 G HA2 -0.376 3.585 3.960 0.001 0.000 0.273 716 G HA3 -0.376 3.585 3.960 0.001 0.000 0.273 716 G C 0.362 175.311 174.900 0.082 0.000 1.242 716 G CA 0.446 45.575 45.100 0.048 0.000 0.951 716 G HN 0.572 nan 8.290 nan 0.000 0.564 717 K N 0.717 121.177 120.400 0.100 0.000 2.504 717 K HA 0.046 4.366 4.320 0.001 0.000 0.195 717 K C 1.761 178.554 176.600 0.323 0.000 1.036 717 K CA 1.365 57.756 56.287 0.174 0.000 0.984 717 K CB -0.045 32.532 32.500 0.128 0.000 0.788 717 K HN 0.505 nan 8.250 nan 0.000 0.488 718 D N 1.427 121.984 120.400 0.262 0.000 2.075 718 D HA -0.141 4.500 4.640 0.001 0.000 0.196 718 D C 1.827 178.185 176.300 0.097 0.000 0.985 718 D CA 1.004 55.115 54.000 0.185 0.000 0.834 718 D CB -0.099 40.745 40.800 0.073 0.000 0.987 718 D HN 0.061 nan 8.370 nan 0.000 0.452 719 R N 0.694 121.249 120.500 0.093 0.000 2.174 719 R HA -0.255 4.086 4.340 0.001 0.000 0.253 719 R C 1.952 178.352 176.300 0.166 0.000 1.165 719 R CA 1.592 57.767 56.100 0.124 0.000 0.984 719 R CB -0.066 30.290 30.300 0.093 0.000 0.873 719 R HN 0.252 nan 8.270 nan 0.000 0.456 720 E N -0.180 120.104 120.200 0.140 0.000 2.072 720 E HA -0.178 4.173 4.350 0.001 0.000 0.190 720 E C 1.817 178.497 176.600 0.133 0.000 0.982 720 E CA 0.913 57.394 56.400 0.135 0.000 0.803 720 E CB -0.048 29.734 29.700 0.136 0.000 0.755 720 E HN 0.260 nan 8.360 nan 0.000 0.453 721 L N 0.200 121.480 121.223 0.095 0.000 2.201 721 L HA -0.117 4.223 4.340 0.001 0.000 0.212 721 L C 1.908 178.848 176.870 0.118 0.000 1.105 721 L CA 1.520 56.377 54.840 0.028 0.000 0.775 721 L CB -0.604 41.214 42.059 -0.402 0.000 0.913 721 L HN 0.235 nan 8.230 nan 0.000 0.440 722 Y N 0.091 120.401 120.300 0.017 0.000 2.200 722 Y HA 0.006 4.557 4.550 0.001 0.000 0.290 722 Y C 2.298 178.281 175.900 0.139 0.000 1.137 722 Y CA 1.445 59.604 58.100 0.098 0.000 1.163 722 Y CB -0.707 37.820 38.460 0.112 0.000 0.988 722 Y HN 0.189 nan 8.280 nan 0.000 0.518 723 G N -0.265 108.586 108.800 0.085 0.000 2.421 723 G HA2 -0.319 3.642 3.960 0.001 0.000 0.216 723 G HA3 -0.319 3.642 3.960 0.001 0.000 0.216 723 G C 1.679 176.550 174.900 -0.049 0.000 1.171 723 G CA 1.074 46.172 45.100 -0.003 0.000 0.775 723 G HN 0.286 nan 8.290 nan 0.000 0.543 724 K N -0.204 120.197 120.400 0.002 0.000 2.209 724 K HA 0.034 4.355 4.320 0.001 0.000 0.204 724 K C 2.214 178.566 176.600 -0.412 0.000 1.048 724 K CA 0.561 56.833 56.287 -0.025 0.000 0.940 724 K CB -0.377 32.247 32.500 0.207 0.000 0.729 724 K HN 0.287 nan 8.250 nan 0.000 0.451 725 L N -0.038 120.922 121.223 -0.440 0.000 1.988 725 L HA -0.093 4.248 4.340 0.001 0.000 0.207 725 L C 1.643 178.122 176.870 -0.651 0.000 1.071 725 L CA 2.030 56.355 54.840 -0.859 0.000 0.744 725 L CB -0.969 40.897 42.059 -0.322 0.000 0.893 725 L HN 0.289 nan 8.230 nan 0.000 0.433 726 H N -0.634 118.196 119.070 -0.399 0.000 2.357 726 H HA -0.110 4.447 4.556 0.001 0.000 0.301 726 H C 2.183 177.364 175.328 -0.245 0.000 1.082 726 H CA 1.698 57.563 56.048 -0.305 0.000 1.342 726 H CB 0.111 29.665 29.762 -0.347 0.000 1.389 726 H HN 0.481 nan 8.280 nan 0.000 0.511 727 E N -0.408 119.724 120.200 -0.115 0.000 2.160 727 E HA -0.176 4.175 4.350 0.001 0.000 0.195 727 E C 1.681 178.197 176.600 -0.140 0.000 0.991 727 E CA 1.753 58.094 56.400 -0.099 0.000 0.810 727 E CB 0.173 29.828 29.700 -0.075 0.000 0.742 727 E HN 0.460 nan 8.360 nan 0.000 0.466 728 T N 1.029 115.427 114.554 -0.260 0.000 2.698 728 T HA -0.141 4.209 4.350 0.001 0.000 0.260 728 T C 1.726 176.294 174.700 -0.219 0.000 1.044 728 T CA 0.903 62.841 62.100 -0.269 0.000 1.149 728 T CB -0.425 68.156 68.868 -0.478 0.000 0.864 728 T HN 0.095 nan 8.240 nan 0.000 0.419 729 L N 2.063 123.114 121.223 -0.286 0.000 1.991 729 L HA -0.213 4.127 4.340 0.001 0.000 0.221 729 L C 2.331 179.154 176.870 -0.079 0.000 1.079 729 L CA 2.069 56.772 54.840 -0.230 0.000 0.778 729 L CB -0.834 41.032 42.059 -0.322 0.000 0.893 729 L HN 0.195 nan 8.230 nan 0.000 0.437 730 K N -0.585 119.781 120.400 -0.057 0.000 2.015 730 K HA -0.326 3.994 4.320 0.001 0.000 0.220 730 K C 2.285 178.876 176.600 -0.014 0.000 1.055 730 K CA 2.395 58.677 56.287 -0.008 0.000 0.951 730 K CB -0.339 32.151 32.500 -0.017 0.000 0.725 730 K HN 0.158 nan 8.250 nan 0.000 0.449 731 K N 0.473 120.847 120.400 -0.044 0.000 2.281 731 K HA -0.082 4.239 4.320 0.001 0.000 0.203 731 K C 1.685 178.258 176.600 -0.045 0.000 1.046 731 K CA 1.209 57.468 56.287 -0.047 0.000 0.938 731 K CB -0.052 32.416 32.500 -0.053 0.000 0.737 731 K HN 0.169 nan 8.250 nan 0.000 0.458 732 V N -0.311 119.590 119.914 -0.021 0.000 2.407 732 V HA -0.156 3.965 4.120 0.001 0.000 0.245 732 V C 1.883 177.998 176.094 0.036 0.000 1.041 732 V CA 2.073 64.392 62.300 0.031 0.000 1.040 732 V CB -0.556 31.323 31.823 0.093 0.000 0.671 732 V HN 0.341 nan 8.190 nan 0.000 0.455 733 T N -0.235 114.379 114.554 0.101 0.000 2.737 733 T HA -0.149 4.201 4.350 0.001 0.000 0.265 733 T C 1.784 176.413 174.700 -0.119 0.000 1.038 733 T CA 1.491 63.634 62.100 0.073 0.000 1.144 733 T CB -0.179 68.856 68.868 0.278 0.000 0.866 733 T HN 0.542 nan 8.240 nan 0.000 0.434 734 E N 1.247 121.405 120.200 -0.071 0.000 2.015 734 E HA -0.146 4.204 4.350 0.001 0.000 0.191 734 E C 2.071 178.563 176.600 -0.180 0.000 0.991 734 E CA 1.159 57.497 56.400 -0.102 0.000 0.802 734 E CB -0.218 29.444 29.700 -0.063 0.000 0.759 734 E HN 0.362 nan 8.360 nan 0.000 0.447 735 D N 0.667 120.966 120.400 -0.168 0.000 2.265 735 D HA -0.114 4.527 4.640 0.001 0.000 0.208 735 D C 1.912 177.994 176.300 -0.364 0.000 0.977 735 D CA 0.630 54.501 54.000 -0.215 0.000 0.871 735 D CB -0.022 40.693 40.800 -0.142 0.000 0.925 735 D HN 0.128 nan 8.370 nan 0.000 0.485 736 L N 0.263 121.228 121.223 -0.431 0.000 2.209 736 L HA -0.034 4.307 4.340 0.001 0.000 0.207 736 L C 2.261 178.673 176.870 -0.763 0.000 1.094 736 L CA 0.724 55.119 54.840 -0.742 0.000 0.790 736 L CB 0.092 41.506 42.059 -1.075 0.000 0.932 736 L HN -0.069 nan 8.230 nan 0.000 0.447 737 E N -0.111 119.776 120.200 -0.522 0.000 2.072 737 E HA -0.109 4.241 4.350 0.001 0.000 0.190 737 E C 1.651 178.092 176.600 -0.265 0.000 0.982 737 E CA 0.963 57.190 56.400 -0.288 0.000 0.803 737 E CB 0.023 29.651 29.700 -0.119 0.000 0.755 737 E HN 0.411 nan 8.360 nan 0.000 0.453 738 A N 0.629 123.279 122.820 -0.283 0.000 2.411 738 A HA 0.155 4.476 4.320 0.001 0.000 0.251 738 A C 0.054 177.406 177.584 -0.388 0.000 1.317 738 A CA -0.180 51.703 52.037 -0.255 0.000 0.904 738 A CB -0.144 18.750 19.000 -0.177 0.000 0.993 738 A HN 0.227 nan 8.150 nan 0.000 0.504 739 L N -0.912 119.965 121.223 -0.577 0.000 3.671 739 L HA -0.168 4.172 4.340 0.001 0.000 0.609 739 L C 0.365 176.772 176.870 -0.772 0.000 1.251 739 L CA 1.031 55.351 54.840 -0.867 0.000 0.934 739 L CB -1.894 39.575 42.059 -0.983 0.000 1.496 739 L HN 0.581 nan 8.230 nan 0.000 0.854 740 R N -0.003 120.070 120.500 -0.712 0.000 2.638 740 R HA 0.287 4.628 4.340 0.001 0.000 0.261 740 R C 0.824 176.977 176.300 -0.245 0.000 1.515 740 R CA -0.360 55.526 56.100 -0.356 0.000 1.623 740 R CB 0.149 30.312 30.300 -0.227 0.000 1.347 740 R HN 0.201 nan 8.270 nan 0.000 0.705 741 F N 0.657 120.604 119.950 -0.004 0.000 2.269 741 F HA -0.245 4.283 4.527 0.001 0.000 0.301 741 F C 2.389 178.248 175.800 0.097 0.000 1.082 741 F CA 1.074 59.157 58.000 0.139 0.000 1.360 741 F CB -0.226 38.878 39.000 0.173 0.000 1.041 741 F HN 0.370 nan 8.300 nan 0.000 0.512 742 N N 0.846 119.680 118.700 0.224 0.000 2.000 742 N HA -0.238 4.503 4.740 0.001 0.000 0.198 742 N C 1.590 177.195 175.510 0.159 0.000 1.057 742 N CA 2.700 55.846 53.050 0.160 0.000 0.858 742 N CB -1.729 36.775 38.487 0.029 0.000 1.057 742 N HN 0.335 nan 8.380 nan 0.000 0.423 743 T N -3.136 111.452 114.554 0.057 0.000 3.035 743 T HA 0.353 4.703 4.350 0.001 0.000 0.268 743 T C 1.981 176.663 174.700 -0.031 0.000 1.109 743 T CA 0.877 62.995 62.100 0.030 0.000 1.119 743 T CB -0.523 68.341 68.868 -0.007 0.000 0.900 743 T HN 0.473 nan 8.240 nan 0.000 0.503 744 A N 2.490 125.271 122.820 -0.065 0.000 1.834 744 A HA 0.034 4.354 4.320 0.001 0.000 0.216 744 A C 2.337 179.715 177.584 -0.343 0.000 1.203 744 A CA 1.610 53.557 52.037 -0.150 0.000 0.621 744 A CB -1.011 17.971 19.000 -0.029 0.000 0.841 744 A HN 0.535 nan 8.150 nan 0.000 0.446 745 I N -0.152 120.113 120.570 -0.509 0.000 2.264 745 I HA -0.317 3.853 4.170 0.001 0.000 0.248 745 I C 2.950 178.758 176.117 -0.515 0.000 1.111 745 I CA 1.047 61.955 61.300 -0.653 0.000 1.382 745 I CB -0.453 37.198 38.000 -0.582 0.000 1.060 745 I HN 0.408 nan 8.210 nan 0.000 0.418 746 A N 0.873 123.562 122.820 -0.217 0.000 1.908 746 A HA -0.199 4.122 4.320 0.001 0.000 0.218 746 A C 2.506 180.028 177.584 -0.103 0.000 1.181 746 A CA 2.020 54.005 52.037 -0.087 0.000 0.627 746 A CB -0.726 18.401 19.000 0.212 0.000 0.818 746 A HN 0.456 nan 8.150 nan 0.000 0.445 747 A N -0.976 121.789 122.820 -0.092 0.000 2.066 747 A HA 0.194 4.514 4.320 0.001 0.000 0.218 747 A C 1.998 179.575 177.584 -0.013 0.000 1.157 747 A CA 1.015 53.026 52.037 -0.044 0.000 0.670 747 A CB -0.384 18.582 19.000 -0.055 0.000 0.804 747 A HN 0.458 nan 8.150 nan 0.000 0.453 748 L N -1.391 119.772 121.223 -0.099 0.000 2.418 748 L HA 0.015 4.356 4.340 0.001 0.000 0.218 748 L C 2.446 179.446 176.870 0.217 0.000 1.125 748 L CA 0.508 55.341 54.840 -0.011 0.000 0.835 748 L CB -0.206 41.727 42.059 -0.210 0.000 0.953 748 L HN 0.425 nan 8.230 nan 0.000 0.454 749 M N -1.105 118.493 119.600 -0.004 0.000 2.334 749 M HA -0.132 4.349 4.480 0.001 0.000 0.266 749 M C 2.092 178.487 176.300 0.158 0.000 1.082 749 M CA 1.223 56.568 55.300 0.075 0.000 1.141 749 M CB -0.049 32.370 32.600 -0.303 0.000 1.380 749 M HN 0.137 nan 8.290 nan 0.000 0.440 750 E N 0.344 120.618 120.200 0.123 0.000 2.047 750 E HA -0.199 4.151 4.350 0.001 0.000 0.191 750 E C 1.777 178.525 176.600 0.248 0.000 0.987 750 E CA 1.112 57.604 56.400 0.152 0.000 0.799 750 E CB -0.001 29.769 29.700 0.116 0.000 0.752 750 E HN 0.384 nan 8.360 nan 0.000 0.449 751 F N 1.126 121.150 119.950 0.123 0.000 2.269 751 F HA -0.118 4.410 4.527 0.001 0.000 0.301 751 F C 1.860 177.772 175.800 0.186 0.000 1.082 751 F CA 0.657 58.744 58.000 0.146 0.000 1.360 751 F CB -0.224 38.867 39.000 0.152 0.000 1.041 751 F HN 0.114 nan 8.300 nan 0.000 0.512 752 L N 0.733 122.077 121.223 0.202 0.000 2.056 752 L HA -0.197 4.143 4.340 0.001 0.000 0.207 752 L C 2.086 179.043 176.870 0.145 0.000 1.078 752 L CA 1.660 56.549 54.840 0.082 0.000 0.749 752 L CB -1.093 41.117 42.059 0.252 0.000 0.901 752 L HN 0.028 nan 8.230 nan 0.000 0.433 753 N N 0.520 119.318 118.700 0.163 0.000 2.013 753 N HA -0.195 4.545 4.740 0.001 0.000 0.195 753 N C 1.905 177.502 175.510 0.144 0.000 1.051 753 N CA 1.840 54.983 53.050 0.154 0.000 0.851 753 N CB -0.971 37.584 38.487 0.114 0.000 1.044 753 N HN 0.451 nan 8.380 nan 0.000 0.422 754 A N 1.605 124.496 122.820 0.117 0.000 1.940 754 A HA -0.178 4.143 4.320 0.001 0.000 0.221 754 A C 2.442 180.061 177.584 0.058 0.000 1.190 754 A CA 1.354 53.462 52.037 0.118 0.000 0.647 754 A CB -0.998 18.121 19.000 0.198 0.000 0.821 754 A HN 0.265 nan 8.150 nan 0.000 0.457 755 L N -2.594 118.550 121.223 -0.132 0.000 1.961 755 L HA -0.225 4.116 4.340 0.001 0.000 0.210 755 L C 2.580 179.476 176.870 0.044 0.000 1.072 755 L CA 1.979 56.726 54.840 -0.155 0.000 0.749 755 L CB -0.698 41.083 42.059 -0.464 0.000 0.889 755 L HN 0.499 nan 8.230 nan 0.000 0.432 756 Y N 0.053 120.349 120.300 -0.008 0.000 2.228 756 Y HA -0.294 4.256 4.550 0.001 0.000 0.285 756 Y C 2.699 178.621 175.900 0.037 0.000 1.178 756 Y CA 1.456 59.569 58.100 0.021 0.000 1.202 756 Y CB -0.037 38.425 38.460 0.004 0.000 0.974 756 Y HN 0.243 nan 8.280 nan 0.000 0.527 757 E N -1.697 118.624 120.200 0.202 0.000 2.299 757 E HA -0.176 4.174 4.350 0.001 0.000 0.193 757 E C 1.526 178.205 176.600 0.133 0.000 0.998 757 E CA 0.482 56.967 56.400 0.142 0.000 0.851 757 E CB -0.234 29.544 29.700 0.130 0.000 0.795 757 E HN 0.594 nan 8.360 nan 0.000 0.492 758 Y N 1.189 121.510 120.300 0.036 0.000 2.457 758 Y HA -0.036 4.515 4.550 0.001 0.000 0.292 758 Y C 1.808 177.685 175.900 -0.039 0.000 1.125 758 Y CA 0.943 59.055 58.100 0.020 0.000 1.254 758 Y CB 0.298 38.795 38.460 0.061 0.000 1.012 758 Y HN -0.191 nan 8.280 nan 0.000 0.555 759 R N 0.448 120.924 120.500 -0.040 0.000 2.310 759 R HA 0.041 4.382 4.340 0.001 0.000 0.202 759 R C 1.450 177.655 176.300 -0.159 0.000 0.933 759 R CA 0.382 56.373 56.100 -0.181 0.000 1.054 759 R CB -0.006 30.203 30.300 -0.151 0.000 0.985 759 R HN 0.441 nan 8.270 nan 0.000 0.489 760 K N 0.148 120.480 120.400 -0.112 0.000 2.128 760 K HA -0.017 4.304 4.320 0.001 0.000 0.202 760 K C 0.748 177.271 176.600 -0.128 0.000 1.050 760 K CA 0.968 57.204 56.287 -0.084 0.000 0.966 760 K CB 0.319 32.800 32.500 -0.032 0.000 0.759 760 K HN 0.038 nan 8.250 nan 0.000 0.454 761 D N -0.072 120.219 120.400 -0.181 0.000 2.327 761 D HA 0.010 4.651 4.640 0.001 0.000 0.205 761 D C 0.354 176.494 176.300 -0.267 0.000 0.989 761 D CA 0.491 54.379 54.000 -0.187 0.000 0.873 761 D CB 0.372 41.076 40.800 -0.160 0.000 0.955 761 D HN -0.126 nan 8.370 nan 0.000 0.515 762 R N 0.510 120.761 120.500 -0.415 0.000 2.744 762 R HA 0.437 4.777 4.340 0.001 0.000 0.279 762 R C -2.514 173.527 176.300 -0.431 0.000 0.977 762 R CA -1.732 54.062 56.100 -0.510 0.000 0.906 762 R CB 2.323 32.006 30.300 -1.029 0.000 1.197 762 R HN -0.138 nan 8.270 nan 0.000 0.463 763 P HA 0.171 nan 4.420 nan 0.000 0.306 763 P C -0.654 176.465 177.300 -0.302 0.000 1.309 763 P CA -0.444 62.500 63.100 -0.260 0.000 0.759 763 P CB 0.494 32.092 31.700 -0.170 0.000 1.314 764 V N 0.821 120.566 119.914 -0.281 0.000 2.266 764 V HA 0.055 4.175 4.120 0.001 0.000 0.240 764 V C 1.381 177.411 176.094 -0.108 0.000 1.225 764 V CA 0.475 62.598 62.300 -0.294 0.000 1.237 764 V CB -1.433 30.271 31.823 -0.198 0.000 1.343 764 V HN 0.741 nan 8.190 nan 0.000 0.496 765 T N 3.433 117.963 114.554 -0.040 0.000 2.814 765 T HA 0.398 4.748 4.350 0.001 0.000 0.284 765 T C -1.376 173.337 174.700 0.021 0.000 0.998 765 T CA -1.570 60.532 62.100 0.005 0.000 0.935 765 T CB 1.656 70.545 68.868 0.036 0.000 1.167 765 T HN 0.322 nan 8.240 nan 0.000 0.545 766 P HA 0.016 nan 4.420 nan 0.000 0.214 766 P C 1.936 179.144 177.300 -0.152 0.000 1.162 766 P CA 0.554 63.632 63.100 -0.037 0.000 0.871 766 P CB -0.533 31.170 31.700 0.004 0.000 0.783 767 V N -0.250 119.294 119.914 -0.616 0.000 2.233 767 V HA -0.340 3.780 4.120 0.001 0.000 0.252 767 V C 2.329 178.319 176.094 -0.174 0.000 1.063 767 V CA 2.339 64.224 62.300 -0.693 0.000 1.032 767 V CB -1.480 29.898 31.823 -0.740 0.000 0.645 767 V HN 0.025 nan 8.190 nan 0.000 0.446 768 Y N 1.354 121.515 120.300 -0.233 0.000 2.040 768 Y HA -0.358 4.193 4.550 0.001 0.000 0.275 768 Y C 2.785 178.624 175.900 -0.103 0.000 1.171 768 Y CA 3.021 61.023 58.100 -0.164 0.000 1.123 768 Y CB -0.511 37.925 38.460 -0.041 0.000 0.963 768 Y HN 0.337 nan 8.280 nan 0.000 0.493 769 R N -0.435 120.140 120.500 0.125 0.000 2.115 769 R HA -0.224 4.117 4.340 0.001 0.000 0.239 769 R C 2.236 178.523 176.300 -0.021 0.000 1.133 769 R CA 2.589 58.699 56.100 0.017 0.000 0.935 769 R CB -0.933 29.396 30.300 0.050 0.000 0.853 769 R HN 0.389 nan 8.270 nan 0.000 0.433 770 T N 0.582 115.157 114.554 0.034 0.000 2.635 770 T HA -0.239 4.111 4.350 0.001 0.000 0.267 770 T C 1.772 176.396 174.700 -0.127 0.000 1.040 770 T CA 1.745 63.834 62.100 -0.018 0.000 1.156 770 T CB -0.518 68.372 68.868 0.037 0.000 0.863 770 T HN 0.567 nan 8.240 nan 0.000 0.430 771 A N 1.714 124.452 122.820 -0.137 0.000 1.896 771 A HA -0.181 4.140 4.320 0.001 0.000 0.220 771 A C 2.180 179.744 177.584 -0.033 0.000 1.206 771 A CA 1.839 53.834 52.037 -0.070 0.000 0.647 771 A CB -0.830 18.065 19.000 -0.174 0.000 0.828 771 A HN 0.460 nan 8.150 nan 0.000 0.455 772 I N -0.411 120.026 120.570 -0.221 0.000 2.226 772 I HA -0.194 3.976 4.170 0.001 0.000 0.245 772 I C 2.468 178.640 176.117 0.091 0.000 1.100 772 I CA 1.657 62.864 61.300 -0.155 0.000 1.374 772 I CB -1.462 36.339 38.000 -0.332 0.000 1.057 772 I HN 0.495 nan 8.210 nan 0.000 0.413 773 R N 0.528 121.098 120.500 0.118 0.000 2.132 773 R HA -0.264 4.076 4.340 0.001 0.000 0.233 773 R C 2.495 178.939 176.300 0.240 0.000 1.125 773 R CA 2.126 58.278 56.100 0.087 0.000 0.914 773 R CB -0.634 29.628 30.300 -0.063 0.000 0.845 773 R HN 0.164 nan 8.270 nan 0.000 0.431 774 Y N -0.093 120.186 120.300 -0.035 0.000 2.165 774 Y HA -0.264 4.287 4.550 0.001 0.000 0.286 774 Y C 2.266 178.089 175.900 -0.128 0.000 1.155 774 Y CA 1.076 59.084 58.100 -0.154 0.000 1.164 774 Y CB -1.273 37.080 38.460 -0.178 0.000 0.978 774 Y HN 0.270 nan 8.280 nan 0.000 0.513 775 Y N 0.241 120.593 120.300 0.086 0.000 2.049 775 Y HA -0.292 4.259 4.550 0.001 0.000 0.277 775 Y C 2.395 178.294 175.900 -0.001 0.000 1.143 775 Y CA 1.850 59.986 58.100 0.061 0.000 1.115 775 Y CB -0.814 37.677 38.460 0.052 0.000 0.975 775 Y HN -0.005 nan 8.280 nan 0.000 0.487 776 L N 0.007 121.403 121.223 0.290 0.000 2.137 776 L HA -0.354 3.987 4.340 0.001 0.000 0.213 776 L C 2.428 179.250 176.870 -0.080 0.000 1.085 776 L CA 1.828 56.769 54.840 0.169 0.000 0.760 776 L CB -0.753 41.463 42.059 0.262 0.000 0.893 776 L HN 0.452 nan 8.230 nan 0.000 0.434 777 Q N -0.678 118.967 119.800 -0.259 0.000 2.016 777 Q HA -0.195 4.145 4.340 0.001 0.000 0.200 777 Q C 2.301 178.139 176.000 -0.271 0.000 0.978 777 Q CA 1.404 56.945 55.803 -0.436 0.000 0.833 777 Q CB -0.173 28.176 28.738 -0.648 0.000 0.895 777 Q HN 0.480 nan 8.270 nan 0.000 0.427 778 M N 0.135 119.522 119.600 -0.354 0.000 2.346 778 M HA -0.172 4.309 4.480 0.001 0.000 0.263 778 M C 1.888 178.241 176.300 0.088 0.000 1.064 778 M CA 0.878 56.057 55.300 -0.202 0.000 1.083 778 M CB 0.014 32.430 32.600 -0.308 0.000 1.399 778 M HN 0.192 nan 8.290 nan 0.000 0.435 779 L N -0.889 120.341 121.223 0.010 0.000 2.131 779 L HA -0.094 4.246 4.340 0.001 0.000 0.206 779 L C 1.975 179.006 176.870 0.269 0.000 1.087 779 L CA 1.325 56.266 54.840 0.167 0.000 0.767 779 L CB -0.616 41.522 42.059 0.131 0.000 0.917 779 L HN 0.157 nan 8.230 nan 0.000 0.441 780 F N 1.535 121.463 119.950 -0.037 0.000 2.045 780 F HA -0.231 4.297 4.527 0.001 0.000 0.297 780 F C -0.553 175.134 175.800 -0.189 0.000 1.114 780 F CA 2.190 60.089 58.000 -0.169 0.000 1.207 780 F CB -1.959 36.836 39.000 -0.343 0.000 0.964 780 F HN 0.150 nan 8.300 nan 0.000 0.486 781 P HA -0.190 nan 4.420 nan 0.000 0.216 781 P C 1.543 178.507 177.300 -0.560 0.000 1.150 781 P CA 2.069 64.803 63.100 -0.609 0.000 0.843 781 P CB -0.288 31.023 31.700 -0.647 0.000 0.787 782 F N -0.627 119.262 119.950 -0.102 0.000 2.164 782 F HA 0.210 4.738 4.527 0.001 0.000 0.287 782 F C 1.562 177.358 175.800 -0.007 0.000 1.086 782 F CA 0.500 58.475 58.000 -0.042 0.000 1.249 782 F CB -1.022 37.998 39.000 0.032 0.000 1.059 782 F HN -0.253 nan 8.300 nan 0.000 0.490 783 A N 1.273 124.256 122.820 0.271 0.000 2.923 783 A HA 0.396 4.717 4.320 0.001 0.000 0.343 783 A C -1.938 175.765 177.584 0.198 0.000 1.199 783 A CA -1.245 50.939 52.037 0.246 0.000 0.878 783 A CB -0.363 18.800 19.000 0.271 0.000 1.104 783 A HN 0.003 nan 8.150 nan 0.000 0.483 784 P HA -0.144 nan 4.420 nan 0.000 0.215 784 P C 0.875 178.392 177.300 0.360 0.000 1.157 784 P CA 1.421 64.534 63.100 0.022 0.000 0.856 784 P CB 0.092 31.422 31.700 -0.617 0.000 0.786 785 H N 0.139 119.493 119.070 0.473 0.000 2.253 785 H HA -0.116 4.440 4.556 0.001 0.000 0.296 785 H C 2.011 177.507 175.328 0.280 0.000 1.074 785 H CA 1.483 57.816 56.048 0.475 0.000 1.263 785 H CB -1.335 28.714 29.762 0.477 0.000 1.363 785 H HN -0.013 nan 8.280 nan 0.000 0.489 786 L N 0.742 122.213 121.223 0.414 0.000 2.187 786 L HA -0.095 4.245 4.340 0.001 0.000 0.213 786 L C 2.233 179.160 176.870 0.096 0.000 1.100 786 L CA 1.650 56.629 54.840 0.231 0.000 0.765 786 L CB -0.945 41.171 42.059 0.096 0.000 0.904 786 L HN 0.320 nan 8.230 nan 0.000 0.437 787 A N -1.002 121.905 122.820 0.145 0.000 1.930 787 A HA -0.198 4.123 4.320 0.001 0.000 0.217 787 A C 2.256 179.843 177.584 0.005 0.000 1.175 787 A CA 1.524 53.624 52.037 0.106 0.000 0.627 787 A CB -0.505 18.615 19.000 0.200 0.000 0.815 787 A HN 0.504 nan 8.150 nan 0.000 0.443 788 E N -0.085 120.061 120.200 -0.089 0.000 2.046 788 E HA -0.151 4.200 4.350 0.001 0.000 0.190 788 E C 1.914 178.315 176.600 -0.331 0.000 0.982 788 E CA 1.437 57.602 56.400 -0.391 0.000 0.800 788 E CB -0.203 28.952 29.700 -0.909 0.000 0.756 788 E HN 0.560 nan 8.360 nan 0.000 0.449 789 E N 0.461 120.531 120.200 -0.217 0.000 2.026 789 E HA -0.226 4.124 4.350 0.001 0.000 0.206 789 E C 2.029 178.361 176.600 -0.447 0.000 1.028 789 E CA 1.994 58.414 56.400 0.033 0.000 0.845 789 E CB -0.587 29.228 29.700 0.192 0.000 0.772 789 E HN 0.307 nan 8.360 nan 0.000 0.462 790 L N -0.135 120.782 121.223 -0.510 0.000 1.978 790 L HA -0.255 4.086 4.340 0.001 0.000 0.218 790 L C 2.602 179.490 176.870 0.030 0.000 1.075 790 L CA 2.089 56.616 54.840 -0.522 0.000 0.767 790 L CB -0.997 40.953 42.059 -0.182 0.000 0.890 790 L HN 0.521 nan 8.230 nan 0.000 0.434 791 W N 0.795 122.103 121.300 0.012 0.000 2.350 791 W HA -0.225 4.435 4.660 0.001 0.000 0.289 791 W C 2.347 179.043 176.519 0.294 0.000 1.215 791 W CA 1.812 59.301 57.345 0.241 0.000 1.236 791 W CB -0.388 29.040 29.460 -0.053 0.000 1.130 791 W HN 0.317 nan 8.180 nan 0.000 0.541 792 H N -1.226 117.962 119.070 0.196 0.000 2.389 792 H HA -0.172 4.384 4.556 0.001 0.000 0.299 792 H C 1.989 177.406 175.328 0.148 0.000 1.081 792 H CA 2.859 59.008 56.048 0.168 0.000 1.345 792 H CB -0.788 29.100 29.762 0.209 0.000 1.393 792 H HN 0.020 nan 8.280 nan 0.000 0.520 793 W N 0.069 121.386 121.300 0.029 0.000 2.318 793 W HA -0.199 4.461 4.660 0.001 0.000 0.313 793 W C 1.588 177.729 176.519 -0.631 0.000 1.221 793 W CA 1.181 58.288 57.345 -0.396 0.000 1.266 793 W CB -1.283 27.701 29.460 -0.793 0.000 1.150 793 W HN 0.235 nan 8.180 nan 0.000 0.496 794 F N -4.025 115.844 119.950 -0.136 0.000 2.714 794 F HA 0.135 4.663 4.527 0.001 0.000 0.294 794 F C 0.962 176.140 175.800 -1.036 0.000 1.120 794 F CA -0.017 57.559 58.000 -0.706 0.000 1.398 794 F CB -0.343 37.925 39.000 -1.220 0.000 1.120 794 F HN -0.333 nan 8.300 nan 0.000 0.589 795 W N 1.190 122.310 121.300 -0.300 0.000 2.864 795 W HA 0.280 4.941 4.660 0.001 0.000 0.343 795 W C -1.943 174.407 176.519 -0.282 0.000 1.109 795 W CA -1.497 55.592 57.345 -0.428 0.000 1.192 795 W CB 1.180 30.053 29.460 -0.978 0.000 1.426 795 W HN -0.375 nan 8.180 nan 0.000 0.529 796 P HA -0.031 nan 4.420 nan 0.000 0.216 796 P C 0.131 177.456 177.300 0.042 0.000 1.154 796 P CA 1.332 64.477 63.100 0.075 0.000 0.857 796 P CB 0.922 32.690 31.700 0.114 0.000 0.787 797 D N -0.103 120.361 120.400 0.106 0.000 2.229 797 D HA 0.131 4.771 4.640 0.001 0.000 0.249 797 D C 0.277 176.642 176.300 0.109 0.000 1.027 797 D CA -0.216 53.890 54.000 0.176 0.000 0.923 797 D CB 1.593 42.532 40.800 0.232 0.000 1.174 797 D HN -0.071 nan 8.370 nan 0.000 0.443 798 S N 0.762 116.606 115.700 0.240 0.000 2.549 798 S HA -0.058 4.412 4.470 0.001 0.000 0.278 798 S C 1.740 176.197 174.600 -0.238 0.000 1.344 798 S CA -0.232 58.058 58.200 0.149 0.000 1.025 798 S CB 0.363 63.809 63.200 0.409 0.000 0.851 798 S HN 0.396 nan 8.310 nan 0.000 0.530 799 L N 3.028 123.823 121.223 -0.714 0.000 2.046 799 L HA -0.068 4.272 4.340 0.001 0.000 0.208 799 L C 2.185 178.527 176.870 -0.881 0.000 1.077 799 L CA 1.591 55.685 54.840 -1.243 0.000 0.747 799 L CB -0.524 40.380 42.059 -1.925 0.000 0.896 799 L HN 0.788 nan 8.230 nan 0.000 0.432 800 F N 0.287 119.791 119.950 -0.744 0.000 2.184 800 F HA -0.304 4.224 4.527 0.001 0.000 0.301 800 F C 2.356 178.007 175.800 -0.248 0.000 1.076 800 F CA 1.498 59.230 58.000 -0.447 0.000 1.295 800 F CB -0.141 38.470 39.000 -0.649 0.000 1.026 800 F HN 0.197 nan 8.300 nan 0.000 0.494 801 E N -0.675 119.518 120.200 -0.011 0.000 2.447 801 E HA 0.031 4.381 4.350 0.001 0.000 0.195 801 E C 2.182 178.753 176.600 -0.049 0.000 1.028 801 E CA 0.440 56.865 56.400 0.042 0.000 0.876 801 E CB -0.048 29.737 29.700 0.141 0.000 0.885 801 E HN 0.380 nan 8.360 nan 0.000 0.500 802 A N 1.687 124.387 122.820 -0.200 0.000 1.858 802 A HA 0.158 4.478 4.320 0.001 0.000 0.216 802 A C 1.346 178.816 177.584 -0.191 0.000 1.190 802 A CA 1.384 53.275 52.037 -0.244 0.000 0.617 802 A CB -0.568 18.045 19.000 -0.645 0.000 0.827 802 A HN 0.302 nan 8.150 nan 0.000 0.443 803 G N -3.132 105.539 108.800 -0.214 0.000 3.233 803 G HA2 -0.063 3.897 3.960 0.001 0.000 0.686 803 G HA3 -0.063 3.897 3.960 0.001 0.000 0.686 803 G C -0.423 174.385 174.900 -0.154 0.000 1.153 803 G CA -0.262 44.754 45.100 -0.140 0.000 0.853 803 G HN 0.829 nan 8.290 nan 0.000 0.582 804 W N 4.229 125.346 121.300 -0.305 0.000 2.295 804 W HA 0.350 5.010 4.660 0.001 0.000 0.335 804 W C -1.654 174.676 176.519 -0.315 0.000 1.351 804 W CA -0.704 56.456 57.345 -0.309 0.000 1.273 804 W CB 0.677 29.953 29.460 -0.308 0.000 1.214 804 W HN 0.497 nan 8.180 nan 0.000 0.563 805 P HA 0.010 nan 4.420 nan 0.000 0.271 805 P C -0.496 176.524 177.300 -0.467 0.000 1.216 805 P CA 0.297 62.888 63.100 -0.849 0.000 0.776 805 P CB 0.600 31.309 31.700 -1.650 0.000 0.881 806 E N 1.237 121.289 120.200 -0.247 0.000 2.383 806 E HA 0.184 4.535 4.350 0.001 0.000 0.264 806 E C -0.664 175.958 176.600 0.037 0.000 1.050 806 E CA -0.601 55.770 56.400 -0.048 0.000 0.896 806 E CB 0.453 30.167 29.700 0.023 0.000 0.982 806 E HN 0.268 nan 8.360 nan 0.000 0.424 807 L N 3.228 124.493 121.223 0.070 0.000 2.334 807 L HA 0.199 4.540 4.340 0.001 0.000 0.277 807 L C -0.538 176.362 176.870 0.050 0.000 1.075 807 L CA 0.030 54.949 54.840 0.130 0.000 0.804 807 L CB 1.422 43.525 42.059 0.073 0.000 1.174 807 L HN 0.405 nan 8.230 nan 0.000 0.438 808 D N 2.805 123.128 120.400 -0.128 0.000 2.485 808 D HA 0.125 4.766 4.640 0.001 0.000 0.256 808 D C 0.760 176.927 176.300 -0.223 0.000 1.141 808 D CA -0.097 53.735 54.000 -0.280 0.000 0.942 808 D CB 0.617 41.051 40.800 -0.609 0.000 1.003 808 D HN 0.524 nan 8.370 nan 0.000 0.507 809 E N 1.505 121.651 120.200 -0.090 0.000 2.219 809 E HA -0.222 4.129 4.350 0.001 0.000 0.198 809 E C 1.200 177.767 176.600 -0.056 0.000 0.998 809 E CA 0.988 57.355 56.400 -0.057 0.000 0.818 809 E CB 0.261 29.947 29.700 -0.024 0.000 0.741 809 E HN 0.491 nan 8.360 nan 0.000 0.477 810 K N 0.584 120.953 120.400 -0.052 0.000 2.148 810 K HA -0.033 4.288 4.320 0.001 0.000 0.204 810 K C 2.037 178.628 176.600 -0.016 0.000 1.050 810 K CA 1.021 57.295 56.287 -0.020 0.000 0.942 810 K CB -0.059 32.443 32.500 0.002 0.000 0.724 810 K HN 0.051 nan 8.250 nan 0.000 0.446 811 A N 0.637 123.405 122.820 -0.087 0.000 2.119 811 A HA -0.032 4.289 4.320 0.001 0.000 0.217 811 A C 1.774 179.313 177.584 -0.076 0.000 1.153 811 A CA 0.926 52.904 52.037 -0.097 0.000 0.692 811 A CB -0.335 18.345 19.000 -0.534 0.000 0.799 811 A HN 0.180 nan 8.150 nan 0.000 0.458 812 L N -0.411 120.770 121.223 -0.070 0.000 2.591 812 L HA 0.083 4.424 4.340 0.001 0.000 0.228 812 L C 0.407 177.273 176.870 -0.007 0.000 1.133 812 L CA -0.008 54.810 54.840 -0.036 0.000 0.880 812 L CB 0.016 42.053 42.059 -0.036 0.000 1.033 812 L HN 0.319 nan 8.230 nan 0.000 0.450 813 E N 1.537 121.739 120.200 0.004 0.000 2.166 813 E HA 0.064 4.414 4.350 0.001 0.000 0.279 813 E C -0.168 176.450 176.600 0.029 0.000 1.095 813 E CA 0.047 56.457 56.400 0.017 0.000 0.888 813 E CB 0.510 30.222 29.700 0.021 0.000 1.041 813 E HN 0.101 nan 8.360 nan 0.000 0.414 814 K N 3.403 123.819 120.400 0.028 0.000 2.249 814 K HA 0.079 4.399 4.320 0.001 0.000 0.280 814 K C -0.490 176.135 176.600 0.042 0.000 1.033 814 K CA -0.401 55.908 56.287 0.037 0.000 0.946 814 K CB 0.617 33.137 32.500 0.033 0.000 1.005 814 K HN 0.465 nan 8.250 nan 0.000 0.469 815 D N 1.225 121.655 120.400 0.050 0.000 2.362 815 D HA 0.160 4.800 4.640 0.001 0.000 0.247 815 D C -0.198 176.137 176.300 0.058 0.000 1.050 815 D CA -0.813 53.218 54.000 0.052 0.000 0.839 815 D CB 1.528 42.359 40.800 0.052 0.000 1.283 815 D HN 0.245 nan 8.370 nan 0.000 0.477 816 V N 0.435 120.386 119.914 0.061 0.000 6.177 816 V HA -0.211 3.909 4.120 0.001 0.000 0.277 816 V C 0.326 176.469 176.094 0.082 0.000 0.580 816 V CA 0.208 62.552 62.300 0.074 0.000 0.697 816 V CB -1.739 30.127 31.823 0.072 0.000 0.575 816 V HN 0.574 nan 8.190 nan 0.000 0.569 817 V N 1.270 121.226 119.914 0.071 0.000 2.924 817 V HA 0.158 4.279 4.120 0.001 0.000 0.305 817 V C 0.988 177.129 176.094 0.079 0.000 1.073 817 V CA 0.143 62.481 62.300 0.064 0.000 1.098 817 V CB 1.644 33.489 31.823 0.037 0.000 1.000 817 V HN 0.792 nan 8.190 nan 0.000 0.484 818 E N 2.872 123.122 120.200 0.082 0.000 1.861 818 E HA 0.260 4.610 4.350 0.001 0.000 0.263 818 E C -0.733 175.866 176.600 -0.002 0.000 1.137 818 E CA -0.400 56.044 56.400 0.072 0.000 0.944 818 E CB 0.665 30.442 29.700 0.129 0.000 1.092 818 E HN 0.543 nan 8.360 nan 0.000 0.420 819 V N 2.922 122.820 119.914 -0.027 0.000 2.715 819 V HA 0.189 4.310 4.120 0.001 0.000 0.299 819 V C 0.495 176.550 176.094 -0.066 0.000 1.054 819 V CA -0.066 62.206 62.300 -0.047 0.000 1.077 819 V CB 1.173 32.976 31.823 -0.034 0.000 0.972 819 V HN 0.703 nan 8.190 nan 0.000 0.484 820 A N 5.268 128.054 122.820 -0.057 0.000 2.249 820 A HA 0.648 4.969 4.320 0.001 0.000 0.314 820 A C -0.389 177.169 177.584 -0.044 0.000 1.290 820 A CA -0.454 51.552 52.037 -0.051 0.000 0.893 820 A CB 0.643 19.621 19.000 -0.037 0.000 1.165 820 A HN 0.632 nan 8.150 nan 0.000 0.530 821 V N 3.807 123.696 119.914 -0.040 0.000 2.686 821 V HA 0.358 4.479 4.120 0.001 0.000 0.295 821 V C 0.418 176.499 176.094 -0.020 0.000 1.055 821 V CA 0.199 62.484 62.300 -0.025 0.000 1.050 821 V CB 0.870 32.677 31.823 -0.027 0.000 0.984 821 V HN 1.042 nan 8.190 nan 0.000 0.482 822 Q N 3.065 122.857 119.800 -0.013 0.000 2.416 822 Q HA 0.802 5.142 4.340 0.001 0.000 0.281 822 Q C -1.975 174.023 176.000 -0.003 0.000 1.067 822 Q CA -0.979 54.819 55.803 -0.009 0.000 0.809 822 Q CB 2.475 31.207 28.738 -0.010 0.000 1.418 822 Q HN 0.367 nan 8.270 nan 0.000 0.411 823 V N 1.749 121.662 119.914 -0.001 0.000 2.444 823 V HA 0.363 4.483 4.120 0.001 0.000 0.294 823 V C -0.497 175.599 176.094 0.004 0.000 1.022 823 V CA -1.013 61.288 62.300 0.002 0.000 0.850 823 V CB 1.045 32.869 31.823 0.003 0.000 0.992 823 V HN 0.971 nan 8.190 nan 0.000 0.426 824 N N 3.688 122.391 118.700 0.005 0.000 2.740 824 N HA -0.229 4.512 4.740 0.001 0.000 0.248 824 N C 1.258 176.770 175.510 0.003 0.000 1.062 824 N CA 1.642 54.696 53.050 0.005 0.000 0.704 824 N CB -1.302 37.189 38.487 0.007 0.000 0.968 824 N HN 1.674 nan 8.380 nan 0.000 0.547 825 G N -0.766 108.035 108.800 0.001 0.000 2.396 825 G HA2 -0.420 3.540 3.960 0.001 0.000 0.242 825 G HA3 -0.420 3.540 3.960 0.001 0.000 0.242 825 G C 0.203 175.102 174.900 -0.001 0.000 1.069 825 G CA 0.576 45.675 45.100 -0.001 0.000 0.633 825 G HN 0.563 nan 8.290 nan 0.000 0.517 826 R N 0.851 121.352 120.500 0.001 0.000 2.399 826 R HA 0.386 4.727 4.340 0.001 0.000 0.324 826 R C 0.253 176.553 176.300 -0.000 0.000 1.030 826 R CA -0.097 56.005 56.100 0.002 0.000 0.984 826 R CB 0.883 31.186 30.300 0.004 0.000 0.961 826 R HN 0.154 nan 8.270 nan 0.000 0.433 827 V N 5.991 125.904 119.914 -0.002 0.000 2.397 827 V HA 0.015 4.135 4.120 0.001 0.000 0.262 827 V C 1.330 177.422 176.094 -0.003 0.000 1.047 827 V CA -0.037 62.260 62.300 -0.005 0.000 1.003 827 V CB 0.653 32.473 31.823 -0.006 0.000 1.037 827 V HN 0.701 nan 8.190 nan 0.000 0.480 828 R N 3.583 124.079 120.500 -0.006 0.000 2.057 828 R HA 0.288 4.628 4.340 0.001 0.000 0.224 828 R C 0.984 177.281 176.300 -0.006 0.000 1.136 828 R CA 1.057 57.155 56.100 -0.004 0.000 0.968 828 R CB -0.147 30.150 30.300 -0.005 0.000 0.863 828 R HN 0.770 nan 8.270 nan 0.000 0.433 829 G N -0.778 108.013 108.800 -0.016 0.000 2.650 829 G HA2 0.385 4.346 3.960 0.001 0.000 0.310 829 G HA3 0.385 4.346 3.960 0.001 0.000 0.310 829 G C -1.453 173.419 174.900 -0.047 0.000 1.270 829 G CA 0.007 45.093 45.100 -0.023 0.000 0.810 829 G HN 0.157 nan 8.290 nan 0.000 0.493 830 T N -1.323 113.183 114.554 -0.080 0.000 2.971 830 T HA 0.663 5.014 4.350 0.001 0.000 0.304 830 T C -0.192 174.326 174.700 -0.303 0.000 1.038 830 T CA -0.579 61.431 62.100 -0.150 0.000 1.007 830 T CB 1.269 70.058 68.868 -0.131 0.000 1.055 830 T HN 1.133 nan 8.240 nan 0.000 0.451 831 I N -0.299 120.092 120.570 -0.297 0.000 2.924 831 I HA 0.633 4.804 4.170 0.001 0.000 0.316 831 I C -0.463 175.375 176.117 -0.463 0.000 1.014 831 I CA -1.360 59.718 61.300 -0.370 0.000 1.106 831 I CB 1.441 39.368 38.000 -0.121 0.000 1.311 831 I HN 0.646 nan 8.210 nan 0.000 0.502 832 H N 4.096 123.185 119.070 0.031 0.000 2.736 832 H HA 0.550 5.107 4.556 0.001 0.000 0.271 832 H C -0.829 174.521 175.328 0.037 0.000 1.184 832 H CA -0.424 55.643 56.048 0.032 0.000 1.378 832 H CB 0.922 30.702 29.762 0.030 0.000 1.428 832 H HN 0.620 nan 8.280 nan 0.000 0.500 833 I N -0.767 119.870 120.570 0.112 0.000 3.042 833 I HA 0.600 4.770 4.170 0.001 0.000 0.310 833 I C -3.069 173.099 176.117 0.086 0.000 1.117 833 I CA -3.057 58.299 61.300 0.093 0.000 1.003 833 I CB 2.005 40.055 38.000 0.084 0.000 1.228 833 I HN -0.024 nan 8.210 nan 0.000 0.443 834 P HA 0.127 nan 4.420 nan 0.000 0.269 834 P C 0.068 177.415 177.300 0.078 0.000 1.215 834 P CA -0.389 62.753 63.100 0.070 0.000 0.780 834 P CB 0.646 32.382 31.700 0.060 0.000 0.898 835 K N 1.419 121.857 120.400 0.063 0.000 2.209 835 K HA -0.181 4.139 4.320 0.001 0.000 0.204 835 K C 0.190 176.839 176.600 0.081 0.000 1.048 835 K CA 1.927 58.248 56.287 0.057 0.000 0.940 835 K CB -0.226 32.297 32.500 0.038 0.000 0.729 835 K HN 0.438 nan 8.250 nan 0.000 0.451 836 D N 0.022 120.470 120.400 0.080 0.000 2.354 836 D HA 0.072 4.713 4.640 0.001 0.000 0.209 836 D C 0.004 176.363 176.300 0.099 0.000 1.015 836 D CA 0.099 54.150 54.000 0.086 0.000 0.867 836 D CB 0.311 41.145 40.800 0.056 0.000 0.933 836 D HN 0.163 nan 8.370 nan 0.000 0.520 837 A N 2.232 125.114 122.820 0.103 0.000 2.532 837 A HA 0.147 4.467 4.320 0.001 0.000 0.269 837 A C -2.081 175.529 177.584 0.044 0.000 1.079 837 A CA -0.694 51.388 52.037 0.076 0.000 0.800 837 A CB -0.322 18.732 19.000 0.090 0.000 1.000 837 A HN 0.012 nan 8.150 nan 0.000 0.522 838 P HA 0.170 nan 4.420 nan 0.000 0.270 838 P C 1.071 178.111 177.300 -0.433 0.000 1.223 838 P CA -0.604 62.374 63.100 -0.203 0.000 0.785 838 P CB 0.418 32.045 31.700 -0.122 0.000 0.923 839 L N 1.028 121.794 121.223 -0.762 0.000 2.040 839 L HA -0.320 4.020 4.340 0.001 0.000 0.228 839 L C 2.167 178.837 176.870 -0.333 0.000 1.092 839 L CA 2.179 56.568 54.840 -0.752 0.000 0.805 839 L CB -1.444 40.335 42.059 -0.466 0.000 0.905 839 L HN 0.428 nan 8.230 nan 0.000 0.443 840 E N -0.845 119.225 120.200 -0.216 0.000 2.171 840 E HA -0.181 4.170 4.350 0.001 0.000 0.197 840 E C 2.132 178.680 176.600 -0.087 0.000 0.997 840 E CA 1.401 57.729 56.400 -0.119 0.000 0.810 840 E CB -0.352 29.296 29.700 -0.087 0.000 0.738 840 E HN 0.375 nan 8.360 nan 0.000 0.467 841 V N 0.291 120.151 119.914 -0.092 0.000 2.535 841 V HA -0.086 4.034 4.120 0.001 0.000 0.246 841 V C 2.123 178.200 176.094 -0.028 0.000 1.045 841 V CA 1.465 63.738 62.300 -0.044 0.000 1.058 841 V CB -0.664 31.144 31.823 -0.025 0.000 0.689 841 V HN 0.341 nan 8.190 nan 0.000 0.461 842 A N 0.480 123.275 122.820 -0.042 0.000 1.872 842 A HA -0.177 4.144 4.320 0.001 0.000 0.214 842 A C 2.384 179.968 177.584 -0.001 0.000 1.187 842 A CA 1.727 53.776 52.037 0.021 0.000 0.614 842 A CB -0.559 18.525 19.000 0.139 0.000 0.826 842 A HN 0.440 nan 8.150 nan 0.000 0.442 843 R N -0.087 120.387 120.500 -0.042 0.000 2.143 843 R HA -0.238 4.103 4.340 0.001 0.000 0.239 843 R C 2.231 178.509 176.300 -0.037 0.000 1.126 843 R CA 2.145 58.221 56.100 -0.040 0.000 0.927 843 R CB -0.598 29.666 30.300 -0.059 0.000 0.860 843 R HN 0.414 nan 8.270 nan 0.000 0.433 844 A N 0.646 123.447 122.820 -0.032 0.000 2.019 844 A HA -0.133 4.187 4.320 0.001 0.000 0.219 844 A C 1.974 179.549 177.584 -0.015 0.000 1.164 844 A CA 1.425 53.449 52.037 -0.021 0.000 0.644 844 A CB -0.338 18.654 19.000 -0.013 0.000 0.805 844 A HN 0.447 nan 8.150 nan 0.000 0.449 845 E N -0.226 119.968 120.200 -0.009 0.000 2.107 845 E HA -0.038 4.313 4.350 0.001 0.000 0.191 845 E C 2.326 178.917 176.600 -0.015 0.000 0.982 845 E CA 1.066 57.466 56.400 -0.000 0.000 0.809 845 E CB -0.400 29.307 29.700 0.013 0.000 0.756 845 E HN 0.564 nan 8.360 nan 0.000 0.459 846 A N 0.941 123.744 122.820 -0.028 0.000 1.930 846 A HA -0.076 4.244 4.320 0.001 0.000 0.217 846 A C 1.828 179.361 177.584 -0.084 0.000 1.175 846 A CA 0.586 52.595 52.037 -0.047 0.000 0.627 846 A CB -0.496 18.480 19.000 -0.039 0.000 0.815 846 A HN 0.173 nan 8.150 nan 0.000 0.443 847 L N 0.437 121.596 121.223 -0.107 0.000 2.912 847 L HA 0.099 4.440 4.340 0.001 0.000 0.246 847 L C -0.001 176.814 176.870 -0.092 0.000 1.371 847 L CA 0.401 55.119 54.840 -0.204 0.000 1.196 847 L CB -0.679 41.267 42.059 -0.188 0.000 1.596 847 L HN 0.554 nan 8.230 nan 0.000 0.429 848 K N -1.692 118.682 120.400 -0.043 0.000 2.286 848 K HA 0.158 4.479 4.320 0.001 0.000 0.257 848 K C -0.643 175.970 176.600 0.020 0.000 1.719 848 K CA -0.400 55.901 56.287 0.024 0.000 0.795 848 K CB -1.031 31.496 32.500 0.045 0.000 1.402 848 K HN -0.018 nan 8.250 nan 0.000 0.401 849 V N -1.255 118.667 119.914 0.013 0.000 4.175 849 V HA 0.388 4.508 4.120 0.001 0.000 0.272 849 V C 1.789 177.901 176.094 0.031 0.000 1.171 849 V CA -0.596 61.713 62.300 0.014 0.000 0.803 849 V CB 0.481 32.301 31.823 -0.005 0.000 1.223 849 V HN 0.534 nan 8.190 nan 0.000 0.413 850 R N 1.493 122.012 120.500 0.031 0.000 2.082 850 R HA -0.102 4.238 4.340 0.001 0.000 0.234 850 R C 1.596 177.916 176.300 0.034 0.000 1.136 850 R CA 2.169 58.291 56.100 0.036 0.000 0.935 850 R CB -0.513 29.809 30.300 0.036 0.000 0.842 850 R HN 0.969 nan 8.270 nan 0.000 0.430 851 N N -0.311 118.408 118.700 0.031 0.000 2.275 851 N HA -0.001 4.740 4.740 0.001 0.000 0.236 851 N C 0.046 175.582 175.510 0.042 0.000 1.154 851 N CA 0.191 53.261 53.050 0.033 0.000 0.866 851 N CB 0.814 39.318 38.487 0.028 0.000 1.093 851 N HN -0.028 nan 8.380 nan 0.000 0.515 852 V N -0.061 119.882 119.914 0.050 0.000 4.654 852 V HA -0.322 3.799 4.120 0.001 0.000 0.261 852 V C 1.721 177.860 176.094 0.074 0.000 0.471 852 V CA 1.477 63.824 62.300 0.078 0.000 0.802 852 V CB -2.552 29.338 31.823 0.112 0.000 0.768 852 V HN 0.519 nan 8.190 nan 0.000 1.286 853 R N 0.941 121.465 120.500 0.039 0.000 2.148 853 R HA 0.073 4.414 4.340 0.001 0.000 0.227 853 R C 2.149 178.462 176.300 0.021 0.000 1.103 853 R CA 1.634 57.753 56.100 0.032 0.000 0.983 853 R CB -0.229 30.081 30.300 0.018 0.000 0.874 853 R HN 0.765 nan 8.270 nan 0.000 0.451 854 A N -1.013 121.799 122.820 -0.013 0.000 2.121 854 A HA -0.143 4.177 4.320 0.001 0.000 0.218 854 A C 1.444 178.977 177.584 -0.085 0.000 1.154 854 A CA 1.435 53.434 52.037 -0.063 0.000 0.679 854 A CB -0.493 18.439 19.000 -0.113 0.000 0.795 854 A HN 0.515 nan 8.150 nan 0.000 0.458 855 H N -1.717 117.358 119.070 0.008 0.000 2.320 855 H HA 0.111 4.668 4.556 0.001 0.000 0.309 855 H C 1.816 177.148 175.328 0.007 0.000 1.057 855 H CA 0.800 56.853 56.048 0.007 0.000 1.374 855 H CB -0.085 29.681 29.762 0.007 0.000 1.421 855 H HN 0.294 nan 8.280 nan 0.000 0.532 856 L N 1.127 122.440 121.223 0.151 0.000 2.077 856 L HA -0.297 4.043 4.340 0.001 0.000 0.231 856 L C 0.992 177.898 176.870 0.059 0.000 1.100 856 L CA 1.945 56.833 54.840 0.080 0.000 0.819 856 L CB -0.382 41.710 42.059 0.055 0.000 0.913 856 L HN 0.453 nan 8.230 nan 0.000 0.446 857 E N -0.767 119.463 120.200 0.049 0.000 2.336 857 E HA 0.454 4.805 4.350 0.001 0.000 0.214 857 E C 0.334 176.955 176.600 0.033 0.000 1.144 857 E CA 0.393 56.813 56.400 0.034 0.000 1.294 857 E CB -0.064 29.650 29.700 0.024 0.000 1.263 857 E HN 0.418 nan 8.360 nan 0.000 0.439 858 G N 1.136 109.964 108.800 0.046 0.000 2.476 858 G HA2 0.187 4.148 3.960 0.001 0.000 0.309 858 G HA3 0.187 4.148 3.960 0.001 0.000 0.309 858 G C -0.553 174.386 174.900 0.065 0.000 1.575 858 G CA -0.742 44.384 45.100 0.044 0.000 0.913 858 G HN 0.030 nan 8.290 nan 0.000 0.623 859 K N 1.019 121.449 120.400 0.050 0.000 2.860 859 K HA 0.264 4.585 4.320 0.001 0.000 0.204 859 K C 0.139 176.762 176.600 0.038 0.000 1.127 859 K CA -0.101 56.218 56.287 0.053 0.000 1.050 859 K CB 1.332 33.854 32.500 0.036 0.000 0.745 859 K HN 0.492 nan 8.250 nan 0.000 0.459 860 E N -0.204 120.016 120.200 0.034 0.000 3.441 860 E HA 0.142 4.493 4.350 0.001 0.000 0.195 860 E C -0.440 176.174 176.600 0.022 0.000 1.172 860 E CA -0.273 56.141 56.400 0.024 0.000 1.457 860 E CB 0.586 30.298 29.700 0.019 0.000 1.388 860 E HN -0.063 nan 8.360 nan 0.000 0.551 861 V N 0.349 120.275 119.914 0.021 0.000 3.627 861 V HA -0.216 3.904 4.120 0.001 0.000 0.518 861 V C 0.361 176.463 176.094 0.014 0.000 0.682 861 V CA 0.784 63.094 62.300 0.017 0.000 2.073 861 V CB -0.746 31.087 31.823 0.017 0.000 2.489 861 V HN 0.214 nan 8.190 nan 0.000 0.513 862 V N 1.247 121.168 119.914 0.012 0.000 3.219 862 V HA 0.372 4.493 4.120 0.001 0.000 0.214 862 V C 0.394 176.494 176.094 0.010 0.000 1.433 862 V CA 1.382 63.689 62.300 0.011 0.000 1.301 862 V CB 1.091 32.920 31.823 0.010 0.000 1.160 862 V HN 0.898 nan 8.190 nan 0.000 0.505 863 K N 0.176 120.583 120.400 0.012 0.000 2.430 863 K HA 0.644 4.964 4.320 0.001 0.000 0.268 863 K C -1.610 175.000 176.600 0.017 0.000 1.043 863 K CA -0.499 55.796 56.287 0.013 0.000 0.899 863 K CB 3.027 35.535 32.500 0.014 0.000 1.472 863 K HN 0.236 nan 8.250 nan 0.000 0.451 864 E N 1.124 121.337 120.200 0.022 0.000 2.331 864 E HA 0.411 4.761 4.350 0.001 0.000 0.275 864 E C -1.230 175.401 176.600 0.052 0.000 0.895 864 E CA -0.767 55.654 56.400 0.034 0.000 0.753 864 E CB 2.031 31.749 29.700 0.029 0.000 1.216 864 E HN 0.261 nan 8.360 nan 0.000 0.434 865 I N 2.867 123.478 120.570 0.068 0.000 2.447 865 I HA 0.276 4.446 4.170 0.001 0.000 0.287 865 I C -1.298 174.897 176.117 0.130 0.000 1.023 865 I CA -0.629 60.718 61.300 0.079 0.000 1.083 865 I CB 1.202 39.227 38.000 0.040 0.000 1.245 865 I HN 0.594 nan 8.210 nan 0.000 0.434 866 Y N 6.409 126.706 120.300 -0.004 0.000 2.326 866 Y HA 0.507 5.058 4.550 0.002 0.000 0.331 866 Y C -0.794 175.105 175.900 -0.003 0.000 0.962 866 Y CA -0.670 57.427 58.100 -0.005 0.000 1.167 866 Y CB 1.673 40.130 38.460 -0.005 0.000 1.148 866 Y HN 0.244 nan 8.280 nan 0.000 0.463 867 V N 10.222 129.867 119.914 -0.447 0.000 2.333 867 V HA 0.225 4.346 4.120 0.001 0.000 0.274 867 V C -1.724 173.977 176.094 -0.655 0.000 1.028 867 V CA -1.693 60.382 62.300 -0.375 0.000 0.851 867 V CB 1.438 33.133 31.823 -0.213 0.000 1.000 867 V HN 0.752 nan 8.190 nan 0.000 0.456 868 P HA -0.171 nan 4.420 nan 0.000 0.217 868 P C 1.610 178.798 177.300 -0.188 0.000 1.151 868 P CA 1.665 64.616 63.100 -0.249 0.000 0.849 868 P CB 0.227 31.934 31.700 0.011 0.000 0.787 869 G N -0.037 108.671 108.800 -0.155 0.000 2.701 869 G HA2 -0.230 3.730 3.960 0.001 0.000 0.215 869 G HA3 -0.230 3.730 3.960 0.001 0.000 0.215 869 G C 0.872 175.710 174.900 -0.103 0.000 1.297 869 G CA 0.985 46.026 45.100 -0.098 0.000 0.807 869 G HN 0.272 nan 8.290 nan 0.000 0.608 870 K N -0.963 119.360 120.400 -0.129 0.000 3.307 870 K HA 0.430 4.751 4.320 0.001 0.000 0.188 870 K C -1.544 174.984 176.600 -0.120 0.000 1.063 870 K CA -0.255 55.971 56.287 -0.102 0.000 0.949 870 K CB 0.856 33.322 32.500 -0.055 0.000 0.707 870 K HN 0.202 nan 8.250 nan 0.000 0.441 871 I N 1.092 121.544 120.570 -0.196 0.000 2.785 871 I HA 0.297 4.468 4.170 0.001 0.000 0.293 871 I C -2.188 173.813 176.117 -0.193 0.000 1.446 871 I CA -0.768 60.439 61.300 -0.155 0.000 1.028 871 I CB 2.140 40.074 38.000 -0.110 0.000 1.349 871 I HN 0.039 nan 8.210 nan 0.000 0.438 872 L N 6.897 128.088 121.223 -0.053 0.000 2.381 872 L HA 0.694 5.035 4.340 0.001 0.000 0.274 872 L C -1.511 175.380 176.870 0.036 0.000 0.988 872 L CA -0.090 54.786 54.840 0.061 0.000 0.824 872 L CB 1.536 43.690 42.059 0.159 0.000 1.263 872 L HN 0.578 nan 8.230 nan 0.000 0.410 873 N N 4.662 123.389 118.700 0.046 0.000 2.442 873 N HA 0.497 5.237 4.740 0.001 0.000 0.274 873 N C -1.601 173.928 175.510 0.031 0.000 1.002 873 N CA -0.312 52.753 53.050 0.026 0.000 0.910 873 N CB 1.269 39.765 38.487 0.014 0.000 1.244 873 N HN 0.639 nan 8.380 nan 0.000 0.492 874 L N 2.646 123.880 121.223 0.020 0.000 2.276 874 L HA 0.486 4.827 4.340 0.001 0.000 0.286 874 L C -0.156 176.722 176.870 0.013 0.000 1.061 874 L CA -1.105 53.744 54.840 0.015 0.000 0.807 874 L CB 1.317 43.378 42.059 0.004 0.000 1.177 874 L HN 0.120 nan 8.230 nan 0.000 0.429 875 V N 4.825 124.748 119.914 0.014 0.000 2.432 875 V HA 0.400 4.521 4.120 0.001 0.000 0.275 875 V C 0.381 176.483 176.094 0.013 0.000 1.043 875 V CA -0.332 61.976 62.300 0.013 0.000 0.925 875 V CB 1.670 33.501 31.823 0.013 0.000 0.985 875 V HN 0.503 nan 8.190 nan 0.000 0.466 876 V N 0.000 119.921 119.914 0.012 0.000 2.409 876 V HA 0.000 4.121 4.120 0.001 0.000 0.244 876 V CA 0.000 62.308 62.300 0.013 0.000 1.235 876 V CB 0.000 31.832 31.823 0.016 0.000 1.184 876 V HN 0.000 nan 8.190 nan 0.000 0.556