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 1p2z_1_A DATA FIRST_RESID 5 DATA SEQUENCE MMPQWSYMHI SGQDASEYLS PGLVQFARAT ETYFSLNNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFIPVDRED TAYSYKARFT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPTFKP YSGTAYNALA PKGAPNSCEW EQXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXTHV YAQAPLSGET ITKSGLQIGX XXXXXXXXPV DATA SEQUENCE YADPSYQPEP QIGESQWNEA DANAAGGRVL KKTTPMKPCY GSYARPTNPF DATA SEQUENCE GGQSVLVXXX XXXXLPKVDL QFFSNXXXXX XXXXXATKPK VVLYSEDVNM DATA SEQUENCE ETPDTHLSYK PGKGDENSKA MLGQQSMPNR PNYIAFRDNF IGLMYYNSTG DATA SEQUENCE NMGVLAGQAS QLNAVVDLQD RNTELSYQLL LDSIGDRTRY FSMWNQAVDS DATA SEQUENCE YDPDVRIIEN HGTEDELPNY CFPLGGIGVT DTYQAIKAXX XXXXXXXXTT DATA SEQUENCE WTKDETFATR NEIGVGNNFA MEINLNANLW RNFLYSNIAL YLPDKLKYNP DATA SEQUENCE TNVEISDNPN TYDYMNKRVV APGLVDCYIN LGARWSLDYM DNVNPFNHHR DATA SEQUENCE NAGLRYRSML LGNGRYVPFH IQVPQKFFAI KNLLLLPGSY TYEWNFRKDV DATA SEQUENCE NMVLQSSLGN DLRVDGASIK FDSICLYATF FPMAHNTAST LEAMLRNDTN DATA SEQUENCE DQSFNDYLSA ANMLYPIPAN ATNVPISIPS RNWAAFRGWA FTRLKTKETP DATA SEQUENCE SLGSGYDPYY TYSGSIPYLD GTFYLNHTFK KVAITFDSSV SWPGNDRLLT DATA SEQUENCE PNEFEIKRSV DGEGYNVAQC NMTKDWFLVQ MLANYNIGYQ GFYIPESYKD DATA SEQUENCE RMYSFFRNFQ PMSRQVVDDT KYKEYQQVGI LHQHNNSGFV GYLAPTMREG DATA SEQUENCE QAYPANVPYP LIGKTAVDSI TQKKFLCDRT LWRIPFSSNF MSMGALTDLG DATA SEQUENCE QNLLYANSAH ALDMTFEVDP MDEPTLLYVL FEVFDVVRVH QPHRGVIETV DATA SEQUENCE YLRTPFSA 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.684 176.300 -1.026 0.000 1.140 5 M CA 0.000 54.777 55.300 -0.872 0.000 0.988 5 M CB 0.000 31.802 32.600 -1.330 0.000 1.302 6 M N 0.512 119.735 119.600 -0.628 0.000 2.089 6 M HA -0.075 4.404 4.480 -0.001 0.000 0.257 6 M C -0.596 175.647 176.300 -0.094 0.000 1.071 6 M CA 2.819 57.954 55.300 -0.275 0.000 1.096 6 M CB -2.979 29.541 32.600 -0.133 0.000 1.330 6 M HN 0.146 nan 8.290 nan 0.000 0.403 7 P HA -0.155 nan 4.420 nan 0.000 0.211 7 P C 2.094 179.419 177.300 0.041 0.000 1.181 7 P CA 3.066 66.145 63.100 -0.035 0.000 0.929 7 P CB -0.459 31.195 31.700 -0.076 0.000 0.789 8 Q N -1.237 118.582 119.800 0.032 0.000 2.135 8 Q HA -0.230 4.109 4.340 -0.001 0.000 0.204 8 Q C 2.047 178.234 176.000 0.312 0.000 0.981 8 Q CA 1.996 57.891 55.803 0.153 0.000 0.856 8 Q CB -2.254 26.572 28.738 0.147 0.000 0.902 8 Q HN 0.289 nan 8.270 nan 0.000 0.425 9 W N 0.962 122.275 121.300 0.021 0.000 2.335 9 W HA -0.090 4.570 4.660 -0.001 0.000 0.311 9 W C 2.703 179.223 176.519 0.002 0.000 1.213 9 W CA 1.094 58.448 57.345 0.015 0.000 1.274 9 W CB -1.025 28.447 29.460 0.020 0.000 1.148 9 W HN 0.414 nan 8.180 nan 0.000 0.498 10 S N -0.756 115.092 115.700 0.246 0.000 2.343 10 S HA -0.251 4.218 4.470 -0.001 0.000 0.219 10 S C 1.637 176.208 174.600 -0.048 0.000 1.033 10 S CA 1.499 59.772 58.200 0.122 0.000 1.014 10 S CB -1.190 62.079 63.200 0.115 0.000 0.915 10 S HN 0.278 nan 8.310 nan 0.000 0.435 11 Y N 1.863 122.078 120.300 -0.142 0.000 2.151 11 Y HA -0.139 4.410 4.550 -0.001 0.000 0.284 11 Y C 1.873 177.478 175.900 -0.492 0.000 1.166 11 Y CA 1.475 59.409 58.100 -0.275 0.000 1.163 11 Y CB -0.194 38.185 38.460 -0.135 0.000 0.974 11 Y HN 0.159 nan 8.280 nan 0.000 0.511 12 M N -0.251 119.210 119.600 -0.232 0.000 2.563 12 M HA 0.023 4.502 4.480 -0.001 0.000 0.231 12 M C -0.089 176.077 176.300 -0.223 0.000 1.136 12 M CA 0.590 55.737 55.300 -0.255 0.000 1.026 12 M CB -1.248 31.352 32.600 -0.000 0.000 1.597 12 M HN 0.375 nan 8.290 nan 0.000 0.495 13 H N -1.268 117.746 119.070 -0.093 0.000 2.820 13 H HA -0.163 4.392 4.556 -0.001 0.000 0.295 13 H C 1.256 176.564 175.328 -0.034 0.000 1.187 13 H CA 0.803 56.800 56.048 -0.085 0.000 1.144 13 H CB -2.327 27.357 29.762 -0.130 0.000 1.354 13 H HN 0.430 nan 8.280 nan 0.000 0.395 14 I N -1.204 119.385 120.570 0.031 0.000 2.716 14 I HA -0.058 4.112 4.170 -0.001 0.000 0.259 14 I C 1.389 177.464 176.117 -0.071 0.000 1.172 14 I CA 0.965 62.210 61.300 -0.092 0.000 1.478 14 I CB 0.258 38.085 38.000 -0.287 0.000 1.104 14 I HN 0.197 nan 8.210 nan 0.000 0.439 15 S N -1.177 114.558 115.700 0.060 0.000 2.732 15 S HA 0.746 5.216 4.470 -0.001 0.000 0.293 15 S C -0.149 174.546 174.600 0.158 0.000 1.159 15 S CA 0.071 58.344 58.200 0.121 0.000 0.847 15 S CB 1.398 64.752 63.200 0.258 0.000 1.169 15 S HN 0.507 nan 8.310 nan 0.000 0.501 16 G N 1.234 110.126 108.800 0.153 0.000 2.508 16 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.220 16 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.220 16 G C -0.850 174.141 174.900 0.151 0.000 1.287 16 G CA -0.137 45.054 45.100 0.152 0.000 0.916 16 G HN 0.897 nan 8.290 nan 0.000 0.574 17 Q N 0.335 120.245 119.800 0.183 0.000 2.407 17 Q HA 0.457 4.796 4.340 -0.001 0.000 0.214 17 Q C -0.264 175.877 176.000 0.236 0.000 1.043 17 Q CA -0.193 55.721 55.803 0.186 0.000 0.983 17 Q CB 0.587 29.445 28.738 0.201 0.000 1.211 17 Q HN 0.577 nan 8.270 nan 0.000 0.564 18 D N -0.734 119.733 120.400 0.111 0.000 2.326 18 D HA 0.206 4.845 4.640 -0.001 0.000 0.251 18 D C 0.553 176.655 176.300 -0.329 0.000 1.023 18 D CA -0.117 53.887 54.000 0.007 0.000 0.966 18 D CB 1.439 42.217 40.800 -0.038 0.000 1.156 18 D HN 0.650 nan 8.370 nan 0.000 0.494 19 A N 0.970 123.430 122.820 -0.599 0.000 1.927 19 A HA -0.242 4.077 4.320 -0.001 0.000 0.220 19 A C 2.010 179.108 177.584 -0.809 0.000 1.185 19 A CA 2.559 53.866 52.037 -1.216 0.000 0.639 19 A CB -0.794 17.832 19.000 -0.623 0.000 0.820 19 A HN 0.578 nan 8.150 nan 0.000 0.451 20 S N -0.610 114.835 115.700 -0.424 0.000 2.500 20 S HA -0.123 4.346 4.470 -0.001 0.000 0.239 20 S C 1.363 175.824 174.600 -0.231 0.000 0.989 20 S CA 1.377 59.410 58.200 -0.278 0.000 0.951 20 S CB -0.263 62.837 63.200 -0.166 0.000 0.759 20 S HN 0.747 nan 8.310 nan 0.000 0.523 21 E N 0.001 120.053 120.200 -0.248 0.000 2.290 21 E HA 0.076 4.425 4.350 -0.001 0.000 0.199 21 E C 1.570 178.136 176.600 -0.057 0.000 0.912 21 E CA 0.582 56.916 56.400 -0.110 0.000 0.924 21 E CB -0.086 29.600 29.700 -0.023 0.000 0.901 21 E HN 0.881 nan 8.360 nan 0.000 0.487 22 Y N 0.148 120.404 120.300 -0.072 0.000 2.500 22 Y HA 0.351 4.900 4.550 -0.001 0.000 0.270 22 Y C 0.657 176.504 175.900 -0.089 0.000 1.134 22 Y CA -0.336 57.732 58.100 -0.053 0.000 1.293 22 Y CB -0.230 38.217 38.460 -0.022 0.000 1.063 22 Y HN -0.222 nan 8.280 nan 0.000 0.534 23 L N 2.190 123.235 121.223 -0.298 0.000 2.395 23 L HA 0.242 4.582 4.340 -0.001 0.000 0.269 23 L C 0.800 177.589 176.870 -0.136 0.000 1.133 23 L CA -0.701 53.993 54.840 -0.243 0.000 0.812 23 L CB 0.868 42.615 42.059 -0.520 0.000 1.125 23 L HN 0.312 nan 8.230 nan 0.000 0.452 24 S N 1.699 117.349 115.700 -0.084 0.000 2.558 24 S HA 0.068 4.538 4.470 -0.001 0.000 0.288 24 S C -1.835 172.726 174.600 -0.066 0.000 1.318 24 S CA -0.991 57.179 58.200 -0.049 0.000 1.056 24 S CB 0.696 63.880 63.200 -0.028 0.000 0.853 24 S HN 0.438 nan 8.310 nan 0.000 0.505 25 P HA -0.069 nan 4.420 nan 0.000 0.217 25 P C 1.764 179.051 177.300 -0.022 0.000 1.151 25 P CA 1.744 64.822 63.100 -0.037 0.000 0.849 25 P CB -0.432 31.257 31.700 -0.019 0.000 0.787 26 G N -0.078 108.717 108.800 -0.009 0.000 2.459 26 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.217 26 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.217 26 G C 1.459 176.380 174.900 0.036 0.000 1.183 26 G CA 0.723 45.834 45.100 0.018 0.000 0.776 26 G HN 0.230 nan 8.290 nan 0.000 0.552 27 L N 0.895 122.109 121.223 -0.016 0.000 2.042 27 L HA -0.036 4.303 4.340 -0.001 0.000 0.210 27 L C 2.957 179.827 176.870 -0.000 0.000 1.076 27 L CA 1.484 56.307 54.840 -0.029 0.000 0.749 27 L CB -0.605 41.375 42.059 -0.131 0.000 0.893 27 L HN 0.094 nan 8.230 nan 0.000 0.432 28 V N -0.238 119.633 119.914 -0.071 0.000 2.392 28 V HA -0.352 3.767 4.120 -0.001 0.000 0.249 28 V C 3.061 179.149 176.094 -0.010 0.000 1.059 28 V CA 2.197 64.450 62.300 -0.079 0.000 1.051 28 V CB -1.582 30.174 31.823 -0.112 0.000 0.658 28 V HN 0.723 nan 8.190 nan 0.000 0.455 29 Q N -0.582 119.230 119.800 0.020 0.000 2.020 29 Q HA -0.284 4.055 4.340 -0.001 0.000 0.202 29 Q C 2.073 178.113 176.000 0.067 0.000 0.982 29 Q CA 2.150 57.972 55.803 0.032 0.000 0.838 29 Q CB -1.117 27.645 28.738 0.040 0.000 0.899 29 Q HN 0.690 nan 8.270 nan 0.000 0.423 30 F N 1.419 121.355 119.950 -0.023 0.000 2.126 30 F HA -0.006 4.520 4.527 -0.001 0.000 0.299 30 F C 2.497 178.289 175.800 -0.012 0.000 1.096 30 F CA 1.451 59.449 58.000 -0.003 0.000 1.255 30 F CB -0.589 38.420 39.000 0.015 0.000 0.997 30 F HN 0.354 nan 8.300 nan 0.000 0.479 31 A N 0.781 123.773 122.820 0.287 0.000 1.851 31 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 31 A C 2.479 180.052 177.584 -0.018 0.000 1.195 31 A CA 3.090 55.227 52.037 0.167 0.000 0.622 31 A CB -1.612 17.442 19.000 0.090 0.000 0.831 31 A HN 0.463 nan 8.150 nan 0.000 0.444 32 R N -0.811 119.666 120.500 -0.039 0.000 2.096 32 R HA -0.000 4.339 4.340 -0.001 0.000 0.240 32 R C 2.624 178.850 176.300 -0.123 0.000 1.139 32 R CA 2.638 58.694 56.100 -0.072 0.000 0.952 32 R CB -1.854 28.413 30.300 -0.054 0.000 0.854 32 R HN 1.140 nan 8.270 nan 0.000 0.436 33 A N 0.542 123.270 122.820 -0.154 0.000 1.948 33 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 33 A C 2.465 179.867 177.584 -0.303 0.000 1.177 33 A CA 2.560 54.479 52.037 -0.197 0.000 0.636 33 A CB -0.742 18.127 19.000 -0.217 0.000 0.815 33 A HN 0.863 nan 8.150 nan 0.000 0.449 34 T N -4.281 109.986 114.554 -0.478 0.000 3.054 34 T HA 0.431 4.780 4.350 -0.001 0.000 0.255 34 T C 1.421 175.743 174.700 -0.630 0.000 1.035 34 T CA 1.221 62.829 62.100 -0.820 0.000 0.941 34 T CB 0.098 68.479 68.868 -0.812 0.000 1.026 34 T HN 0.588 nan 8.240 nan 0.000 0.533 35 E N 2.340 122.347 120.200 -0.320 0.000 2.136 35 E HA -0.256 4.093 4.350 -0.001 0.000 0.202 35 E C 2.206 178.691 176.600 -0.191 0.000 1.019 35 E CA 2.401 58.684 56.400 -0.196 0.000 0.819 35 E CB -2.064 27.564 29.700 -0.119 0.000 0.739 35 E HN 0.931 nan 8.360 nan 0.000 0.458 36 T N -1.373 113.064 114.554 -0.196 0.000 2.746 36 T HA -0.149 4.200 4.350 -0.001 0.000 0.267 36 T C 2.008 176.718 174.700 0.017 0.000 1.039 36 T CA 1.644 63.707 62.100 -0.061 0.000 1.142 36 T CB -0.558 68.334 68.868 0.040 0.000 0.866 36 T HN 0.886 nan 8.240 nan 0.000 0.444 37 Y N -1.160 119.170 120.300 0.050 0.000 2.445 37 Y HA 0.700 5.249 4.550 -0.001 0.000 0.247 37 Y C 0.148 176.177 175.900 0.216 0.000 1.129 37 Y CA -2.267 55.889 58.100 0.093 0.000 1.251 37 Y CB 0.373 38.874 38.460 0.068 0.000 1.176 37 Y HN 0.152 nan 8.280 nan 0.000 0.522 38 F N 1.266 121.113 119.950 -0.172 0.000 3.240 38 F HA 0.492 5.018 4.527 -0.001 0.000 0.370 38 F C -0.900 174.862 175.800 -0.064 0.000 1.271 38 F CA -1.329 56.649 58.000 -0.037 0.000 1.224 38 F CB 0.942 39.982 39.000 0.067 0.000 1.624 38 F HN -0.122 nan 8.300 nan 0.000 0.658 39 S N 4.822 120.277 115.700 -0.410 0.000 2.565 39 S HA 0.601 5.071 4.470 -0.001 0.000 0.274 39 S C 0.405 174.811 174.600 -0.323 0.000 1.309 39 S CA -0.326 57.702 58.200 -0.287 0.000 1.043 39 S CB 0.789 63.870 63.200 -0.198 0.000 0.939 39 S HN 0.746 nan 8.310 nan 0.000 0.504 40 L N 4.219 125.383 121.223 -0.098 0.000 2.966 40 L HA 0.255 4.595 4.340 -0.001 0.000 0.262 40 L C 1.467 178.388 176.870 0.085 0.000 1.165 40 L CA -0.215 54.634 54.840 0.015 0.000 0.978 40 L CB -0.073 42.141 42.059 0.259 0.000 1.337 40 L HN 0.543 nan 8.230 nan 0.000 0.563 41 N N 1.771 120.485 118.700 0.024 0.000 2.069 41 N HA -0.182 4.557 4.740 -0.001 0.000 0.191 41 N C 1.386 176.904 175.510 0.014 0.000 1.031 41 N CA 1.784 54.862 53.050 0.046 0.000 0.852 41 N CB -0.378 38.105 38.487 -0.007 0.000 1.018 41 N HN 0.496 nan 8.380 nan 0.000 0.423 42 N N 1.115 119.777 118.700 -0.064 0.000 2.571 42 N HA -0.064 4.675 4.740 -0.001 0.000 0.189 42 N C 0.620 176.033 175.510 -0.162 0.000 1.154 42 N CA 0.545 53.543 53.050 -0.088 0.000 0.907 42 N CB -0.020 38.413 38.487 -0.091 0.000 0.977 42 N HN 0.154 nan 8.380 nan 0.000 0.449 43 K N -0.684 119.535 120.400 -0.302 0.000 2.367 43 K HA 0.239 4.558 4.320 -0.001 0.000 0.194 43 K C -0.713 175.402 176.600 -0.808 0.000 1.027 43 K CA 0.259 56.178 56.287 -0.613 0.000 1.075 43 K CB 0.269 32.236 32.500 -0.890 0.000 0.845 43 K HN 0.073 nan 8.250 nan 0.000 0.529 44 F N 1.344 121.293 119.950 -0.003 0.000 2.539 44 F HA 0.369 4.895 4.527 -0.001 0.000 0.318 44 F C -0.098 175.714 175.800 0.021 0.000 1.135 44 F CA -1.414 56.603 58.000 0.029 0.000 0.915 44 F CB 1.248 40.246 39.000 -0.004 0.000 1.176 44 F HN -0.206 nan 8.300 nan 0.000 0.440 45 R N 1.812 122.434 120.500 0.204 0.000 2.410 45 R HA 0.502 4.841 4.340 -0.001 0.000 0.288 45 R C -1.145 175.236 176.300 0.135 0.000 1.051 45 R CA -0.654 55.524 56.100 0.129 0.000 1.021 45 R CB 0.813 31.174 30.300 0.101 0.000 1.032 45 R HN 0.522 nan 8.270 nan 0.000 0.481 46 N N 4.439 123.190 118.700 0.086 0.000 2.511 46 N HA 0.250 4.989 4.740 -0.001 0.000 0.249 46 N C -2.307 173.240 175.510 0.062 0.000 0.971 46 N CA -1.311 51.783 53.050 0.074 0.000 0.938 46 N CB 1.781 40.285 38.487 0.028 0.000 1.131 46 N HN 0.569 nan 8.380 nan 0.000 0.505 47 P HA 0.061 nan 4.420 nan 0.000 0.270 47 P C -0.428 176.889 177.300 0.029 0.000 1.223 47 P CA -0.005 63.123 63.100 0.047 0.000 0.785 47 P CB 0.646 32.386 31.700 0.066 0.000 0.923 48 T N -1.610 112.946 114.554 0.004 0.000 2.881 48 T HA 0.518 4.868 4.350 -0.001 0.000 0.291 48 T C -0.584 174.110 174.700 -0.010 0.000 0.990 48 T CA -0.691 61.411 62.100 0.003 0.000 0.976 48 T CB 0.772 69.638 68.868 -0.002 0.000 0.970 48 T HN 0.152 nan 8.240 nan 0.000 0.438 49 V N 2.427 122.344 119.914 0.005 0.000 2.495 49 V HA 0.809 4.929 4.120 -0.001 0.000 0.298 49 V C 0.689 176.790 176.094 0.012 0.000 1.031 49 V CA -1.090 61.211 62.300 0.002 0.000 0.871 49 V CB 1.549 33.389 31.823 0.029 0.000 0.988 49 V HN 1.281 nan 8.190 nan 0.000 0.432 50 A N 6.537 129.359 122.820 0.003 0.000 2.371 50 A HA 0.725 5.044 4.320 -0.001 0.000 0.257 50 A C -1.877 175.716 177.584 0.016 0.000 1.089 50 A CA -1.068 50.975 52.037 0.011 0.000 0.794 50 A CB -0.124 18.878 19.000 0.004 0.000 1.029 50 A HN 0.719 nan 8.150 nan 0.000 0.488 51 P HA 0.160 nan 4.420 nan 0.000 0.271 51 P C 0.381 177.668 177.300 -0.022 0.000 1.218 51 P CA 0.150 63.264 63.100 0.025 0.000 0.780 51 P CB 0.910 32.639 31.700 0.048 0.000 0.901 52 T N -2.098 112.403 114.554 -0.089 0.000 3.054 52 T HA 0.183 4.532 4.350 -0.001 0.000 0.255 52 T C 0.238 174.604 174.700 -0.556 0.000 1.035 52 T CA 0.089 62.009 62.100 -0.299 0.000 0.941 52 T CB -0.462 68.174 68.868 -0.386 0.000 1.026 52 T HN 0.536 nan 8.240 nan 0.000 0.533 53 H N 0.422 119.524 119.070 0.052 0.000 2.961 53 H HA 0.486 5.042 4.556 -0.001 0.000 0.371 53 H C -0.635 174.727 175.328 0.057 0.000 1.190 53 H CA -0.780 55.297 56.048 0.049 0.000 1.138 53 H CB 1.384 31.171 29.762 0.042 0.000 1.816 53 H HN -0.077 nan 8.280 nan 0.000 0.551 54 D N 0.596 121.113 120.400 0.194 0.000 3.041 54 D HA -0.167 4.472 4.640 -0.001 0.000 0.220 54 D C 0.601 176.983 176.300 0.137 0.000 1.157 54 D CA 0.955 55.040 54.000 0.141 0.000 0.876 54 D CB -1.159 39.713 40.800 0.120 0.000 1.107 54 D HN 0.245 nan 8.370 nan 0.000 0.422 55 V N -0.863 119.136 119.914 0.143 0.000 2.870 55 V HA 0.077 4.196 4.120 -0.001 0.000 0.232 55 V C 1.196 177.443 176.094 0.255 0.000 1.161 55 V CA 1.352 63.768 62.300 0.193 0.000 1.204 55 V CB 0.591 32.515 31.823 0.168 0.000 1.003 55 V HN 0.093 nan 8.190 nan 0.000 0.499 56 T N 0.274 114.916 114.554 0.146 0.000 2.918 56 T HA 0.427 4.776 4.350 -0.001 0.000 0.286 56 T C -0.251 174.473 174.700 0.040 0.000 1.026 56 T CA -0.053 62.094 62.100 0.078 0.000 1.031 56 T CB 1.956 70.813 68.868 -0.019 0.000 1.046 56 T HN 0.315 nan 8.240 nan 0.000 0.479 57 T N 0.662 115.217 114.554 0.002 0.000 2.909 57 T HA 0.196 4.546 4.350 -0.001 0.000 0.289 57 T C 0.251 174.898 174.700 -0.088 0.000 1.005 57 T CA -0.654 61.393 62.100 -0.088 0.000 1.084 57 T CB 0.308 69.047 68.868 -0.214 0.000 0.975 57 T HN 0.461 nan 8.240 nan 0.000 0.509 58 D N 3.006 123.346 120.400 -0.099 0.000 2.349 58 D HA 0.117 4.756 4.640 -0.001 0.000 0.214 58 D C 0.670 176.926 176.300 -0.073 0.000 1.063 58 D CA 0.106 54.068 54.000 -0.063 0.000 0.847 58 D CB 0.477 41.257 40.800 -0.034 0.000 0.933 58 D HN 0.475 nan 8.370 nan 0.000 0.513 59 R N 0.484 120.910 120.500 -0.124 0.000 2.543 59 R HA 0.343 4.682 4.340 -0.001 0.000 0.268 59 R C 0.430 176.701 176.300 -0.049 0.000 1.067 59 R CA -0.475 55.569 56.100 -0.092 0.000 1.142 59 R CB 0.852 31.067 30.300 -0.141 0.000 1.110 59 R HN -0.171 nan 8.270 nan 0.000 0.549 60 S N 0.919 116.607 115.700 -0.020 0.000 2.537 60 S HA -0.013 4.456 4.470 -0.001 0.000 0.286 60 S C -0.501 174.103 174.600 0.007 0.000 1.299 60 S CA 0.154 58.350 58.200 -0.007 0.000 1.067 60 S CB 0.186 63.384 63.200 -0.003 0.000 0.864 60 S HN 0.500 nan 8.310 nan 0.000 0.494 61 Q N 1.811 121.613 119.800 0.003 0.000 2.430 61 Q HA 0.446 4.786 4.340 -0.001 0.000 0.253 61 Q C -0.670 175.329 176.000 -0.001 0.000 0.945 61 Q CA -0.658 55.149 55.803 0.007 0.000 0.964 61 Q CB 1.025 29.791 28.738 0.046 0.000 1.460 61 Q HN 0.802 nan 8.270 nan 0.000 0.428 62 R N 2.760 123.250 120.500 -0.018 0.000 2.539 62 R HA 0.419 4.758 4.340 -0.001 0.000 0.275 62 R C 0.294 176.622 176.300 0.046 0.000 1.077 62 R CA 0.086 56.188 56.100 0.002 0.000 1.097 62 R CB -0.152 30.136 30.300 -0.019 0.000 1.018 62 R HN 0.755 nan 8.270 nan 0.000 0.483 63 L N 0.287 121.559 121.223 0.081 0.000 2.202 63 L HA 0.109 4.448 4.340 -0.001 0.000 0.205 63 L C 0.452 177.460 176.870 0.230 0.000 1.083 63 L CA 0.994 55.917 54.840 0.139 0.000 0.790 63 L CB 0.338 42.450 42.059 0.089 0.000 0.942 63 L HN 0.702 nan 8.230 nan 0.000 0.452 64 T N 1.515 116.181 114.554 0.187 0.000 2.812 64 T HA 0.555 4.905 4.350 -0.001 0.000 0.282 64 T C -0.416 174.375 174.700 0.151 0.000 0.990 64 T CA -0.337 61.899 62.100 0.227 0.000 0.960 64 T CB 2.033 71.041 68.868 0.234 0.000 0.948 64 T HN -0.085 nan 8.240 nan 0.000 0.438 65 L N 2.820 124.134 121.223 0.152 0.000 2.331 65 L HA 0.688 5.027 4.340 -0.001 0.000 0.275 65 L C 0.253 176.922 176.870 -0.334 0.000 1.022 65 L CA -1.079 53.689 54.840 -0.120 0.000 0.812 65 L CB 1.866 43.837 42.059 -0.146 0.000 1.257 65 L HN 0.431 nan 8.230 nan 0.000 0.435 66 R N 1.807 121.952 120.500 -0.591 0.000 2.480 66 R HA 0.549 4.888 4.340 -0.001 0.000 0.306 66 R C -1.835 174.097 176.300 -0.613 0.000 0.958 66 R CA -0.431 55.237 56.100 -0.720 0.000 0.861 66 R CB 1.093 30.991 30.300 -0.670 0.000 1.171 66 R HN 0.325 nan 8.270 nan 0.000 0.445 67 F N 4.911 124.757 119.950 -0.172 0.000 2.458 67 F HA 0.453 4.979 4.527 -0.001 0.000 0.336 67 F C 0.297 176.237 175.800 0.233 0.000 1.114 67 F CA -0.999 57.040 58.000 0.064 0.000 0.987 67 F CB 1.312 40.404 39.000 0.153 0.000 1.130 67 F HN 0.196 nan 8.300 nan 0.000 0.458 68 I N 3.863 124.645 120.570 0.355 0.000 2.499 68 I HA 0.303 4.472 4.170 -0.001 0.000 0.296 68 I C -2.174 174.060 176.117 0.195 0.000 0.992 68 I CA -2.936 58.520 61.300 0.261 0.000 1.297 68 I CB 0.953 39.020 38.000 0.112 0.000 1.410 68 I HN 0.284 nan 8.210 nan 0.000 0.507 69 P HA 0.060 nan 4.420 nan 0.000 0.268 69 P C 0.914 178.071 177.300 -0.237 0.000 1.205 69 P CA -0.050 62.716 63.100 -0.558 0.000 0.771 69 P CB 0.850 32.215 31.700 -0.558 0.000 0.858 70 V N 1.084 120.864 119.914 -0.224 0.000 2.649 70 V HA -0.012 4.107 4.120 -0.001 0.000 0.248 70 V C 0.619 176.641 176.094 -0.121 0.000 1.054 70 V CA 1.650 63.892 62.300 -0.097 0.000 1.073 70 V CB -0.579 31.220 31.823 -0.040 0.000 0.699 70 V HN 0.619 nan 8.190 nan 0.000 0.463 71 D N -1.147 119.142 120.400 -0.184 0.000 2.927 71 D HA 0.591 5.230 4.640 -0.001 0.000 0.219 71 D C -0.388 175.773 176.300 -0.232 0.000 1.248 71 D CA -0.111 53.788 54.000 -0.168 0.000 0.861 71 D CB 1.445 42.168 40.800 -0.128 0.000 1.677 71 D HN 0.181 nan 8.370 nan 0.000 0.511 72 R N 1.878 122.242 120.500 -0.227 0.000 2.750 72 R HA 0.849 5.188 4.340 -0.001 0.000 0.281 72 R C -0.732 175.379 176.300 -0.314 0.000 0.972 72 R CA -0.859 55.048 56.100 -0.322 0.000 0.912 72 R CB 1.524 31.643 30.300 -0.301 0.000 1.187 72 R HN 0.572 nan 8.270 nan 0.000 0.464 73 E N 0.911 120.858 120.200 -0.421 0.000 2.768 73 E HA 0.317 4.667 4.350 -0.001 0.000 0.290 73 E C -1.239 175.159 176.600 -0.337 0.000 1.100 73 E CA 0.012 56.230 56.400 -0.303 0.000 0.768 73 E CB 0.829 30.400 29.700 -0.215 0.000 1.501 73 E HN 0.903 nan 8.360 nan 0.000 0.384 74 D N 2.140 122.371 120.400 -0.282 0.000 2.317 74 D HA 0.329 4.968 4.640 -0.001 0.000 0.252 74 D C 0.493 176.766 176.300 -0.044 0.000 1.174 74 D CA 0.228 54.188 54.000 -0.068 0.000 0.866 74 D CB 1.208 42.117 40.800 0.182 0.000 1.127 74 D HN 0.368 nan 8.370 nan 0.000 0.467 75 T N -2.754 111.767 114.554 -0.055 0.000 2.768 75 T HA 0.640 4.990 4.350 -0.001 0.000 0.268 75 T C 1.994 176.597 174.700 -0.163 0.000 0.969 75 T CA 0.489 62.497 62.100 -0.152 0.000 1.008 75 T CB 0.949 69.648 68.868 -0.280 0.000 1.371 75 T HN 0.785 nan 8.240 nan 0.000 0.587 76 A N 0.082 122.731 122.820 -0.285 0.000 1.978 76 A HA 0.047 4.366 4.320 -0.001 0.000 0.220 76 A C 1.460 178.958 177.584 -0.142 0.000 1.170 76 A CA 1.879 53.786 52.037 -0.218 0.000 0.636 76 A CB -1.139 17.737 19.000 -0.206 0.000 0.810 76 A HN 1.208 nan 8.150 nan 0.000 0.448 77 Y N -2.484 117.813 120.300 -0.005 0.000 2.890 77 Y HA 0.476 5.025 4.550 -0.001 0.000 0.266 77 Y C -0.016 176.019 175.900 0.225 0.000 1.090 77 Y CA -0.716 57.414 58.100 0.050 0.000 1.258 77 Y CB -0.548 37.856 38.460 -0.094 0.000 1.346 77 Y HN 0.306 nan 8.280 nan 0.000 0.578 78 S N -0.685 115.108 115.700 0.156 0.000 2.556 78 S HA 0.641 5.110 4.470 -0.001 0.000 0.271 78 S C -1.930 172.860 174.600 0.317 0.000 1.135 78 S CA -0.636 57.782 58.200 0.362 0.000 0.858 78 S CB 2.275 65.687 63.200 0.354 0.000 1.114 78 S HN 0.257 nan 8.310 nan 0.000 0.468 79 Y N 1.225 121.686 120.300 0.269 0.000 2.364 79 Y HA 0.648 5.197 4.550 -0.001 0.000 0.340 79 Y C -0.329 175.686 175.900 0.191 0.000 0.975 79 Y CA -0.545 57.672 58.100 0.194 0.000 1.089 79 Y CB 1.639 40.212 38.460 0.187 0.000 1.192 79 Y HN 0.904 nan 8.280 nan 0.000 0.454 80 K N 4.386 124.687 120.400 -0.164 0.000 2.358 80 K HA 0.833 5.152 4.320 -0.001 0.000 0.260 80 K C -1.699 174.781 176.600 -0.200 0.000 0.956 80 K CA -0.665 55.559 56.287 -0.104 0.000 0.834 80 K CB 0.903 33.307 32.500 -0.160 0.000 1.102 80 K HN 0.730 nan 8.250 nan 0.000 0.431 81 A N 4.510 127.323 122.820 -0.012 0.000 2.343 81 A HA 0.530 4.849 4.320 -0.001 0.000 0.316 81 A C -1.103 176.421 177.584 -0.100 0.000 1.104 81 A CA -0.809 51.167 52.037 -0.102 0.000 0.768 81 A CB 1.118 20.170 19.000 0.086 0.000 1.213 81 A HN 0.827 nan 8.150 nan 0.000 0.456 82 R N 2.069 122.382 120.500 -0.312 0.000 2.494 82 R HA 0.720 5.060 4.340 -0.001 0.000 0.305 82 R C -1.835 174.265 176.300 -0.333 0.000 0.959 82 R CA -0.321 55.681 56.100 -0.163 0.000 0.864 82 R CB 0.845 31.080 30.300 -0.108 0.000 1.159 82 R HN 0.593 nan 8.270 nan 0.000 0.446 83 F N 0.357 120.384 119.950 0.129 0.000 2.593 83 F HA 0.385 4.912 4.527 -0.001 0.000 0.320 83 F C 0.109 175.976 175.800 0.112 0.000 1.060 83 F CA -0.803 57.280 58.000 0.139 0.000 0.940 83 F CB 2.643 41.751 39.000 0.179 0.000 1.268 83 F HN 0.263 nan 8.300 nan 0.000 0.475 84 T N 3.398 118.116 114.554 0.274 0.000 2.874 84 T HA 0.326 4.675 4.350 -0.001 0.000 0.321 84 T C -0.885 173.826 174.700 0.019 0.000 1.075 84 T CA -0.309 61.885 62.100 0.157 0.000 0.966 84 T CB 0.273 69.225 68.868 0.140 0.000 1.001 84 T HN 0.338 nan 8.240 nan 0.000 0.476 85 L N 4.746 125.934 121.223 -0.059 0.000 2.342 85 L HA 0.639 4.978 4.340 -0.001 0.000 0.285 85 L C 0.155 176.999 176.870 -0.042 0.000 1.095 85 L CA -0.392 54.233 54.840 -0.357 0.000 0.843 85 L CB -0.454 41.476 42.059 -0.214 0.000 1.201 85 L HN 0.620 nan 8.230 nan 0.000 0.445 86 A N 5.378 128.223 122.820 0.041 0.000 2.260 86 A HA 0.653 4.972 4.320 -0.001 0.000 0.308 86 A C -0.686 177.079 177.584 0.302 0.000 1.254 86 A CA -0.530 51.637 52.037 0.216 0.000 0.874 86 A CB 0.719 19.885 19.000 0.277 0.000 1.153 86 A HN 0.497 nan 8.150 nan 0.000 0.527 87 V N 3.861 123.928 119.914 0.254 0.000 2.293 87 V HA 0.461 4.580 4.120 -0.001 0.000 0.275 87 V C 1.139 177.309 176.094 0.126 0.000 1.021 87 V CA -0.200 62.278 62.300 0.298 0.000 0.815 87 V CB 0.722 32.778 31.823 0.389 0.000 1.025 87 V HN 1.112 nan 8.190 nan 0.000 0.448 88 G N 3.125 111.932 108.800 0.011 0.000 2.699 88 G HA2 0.146 4.106 3.960 -0.001 0.000 0.246 88 G HA3 0.146 4.106 3.960 -0.001 0.000 0.246 88 G C -0.138 174.738 174.900 -0.039 0.000 1.219 88 G CA -0.416 44.661 45.100 -0.039 0.000 0.866 88 G HN 0.620 nan 8.290 nan 0.000 0.572 89 D N 0.417 120.781 120.400 -0.061 0.000 2.400 89 D HA 0.007 4.646 4.640 -0.001 0.000 0.238 89 D C 0.570 176.770 176.300 -0.167 0.000 1.157 89 D CA 0.373 54.327 54.000 -0.076 0.000 0.889 89 D CB 0.410 41.170 40.800 -0.067 0.000 1.199 89 D HN 0.431 nan 8.370 nan 0.000 0.436 90 N N 1.069 119.680 118.700 -0.148 0.000 2.725 90 N HA -0.223 4.516 4.740 -0.001 0.000 0.249 90 N C -0.568 174.840 175.510 -0.169 0.000 1.103 90 N CA 0.886 53.798 53.050 -0.230 0.000 0.707 90 N CB -0.649 37.474 38.487 -0.606 0.000 1.043 90 N HN 0.505 nan 8.380 nan 0.000 0.553 91 R N -0.682 119.802 120.500 -0.027 0.000 2.740 91 R HA 0.741 5.080 4.340 -0.001 0.000 0.273 91 R C -0.344 176.064 176.300 0.180 0.000 0.998 91 R CA -0.928 55.230 56.100 0.098 0.000 0.900 91 R CB 2.314 32.648 30.300 0.057 0.000 1.223 91 R HN 0.003 nan 8.270 nan 0.000 0.466 92 V N -0.681 119.389 119.914 0.260 0.000 2.962 92 V HA 0.742 4.862 4.120 -0.001 0.000 0.313 92 V C -1.355 174.865 176.094 0.210 0.000 1.099 92 V CA -1.055 61.363 62.300 0.196 0.000 0.971 92 V CB 2.027 33.916 31.823 0.109 0.000 1.028 92 V HN 0.587 nan 8.190 nan 0.000 0.430 93 L N 2.317 123.578 121.223 0.063 0.000 2.381 93 L HA 0.677 5.017 4.340 -0.001 0.000 0.274 93 L C -0.768 176.017 176.870 -0.142 0.000 0.988 93 L CA 0.031 54.781 54.840 -0.151 0.000 0.824 93 L CB 1.678 43.564 42.059 -0.288 0.000 1.263 93 L HN 0.943 nan 8.230 nan 0.000 0.410 94 D N 5.393 125.710 120.400 -0.140 0.000 2.347 94 D HA 0.123 4.762 4.640 -0.001 0.000 0.235 94 D C 1.132 177.346 176.300 -0.143 0.000 1.149 94 D CA -0.349 53.594 54.000 -0.094 0.000 0.850 94 D CB 1.119 41.899 40.800 -0.034 0.000 1.061 94 D HN 0.568 nan 8.370 nan 0.000 0.487 95 M N 2.787 122.283 119.600 -0.174 0.000 2.337 95 M HA -0.164 4.315 4.480 -0.001 0.000 0.261 95 M C 1.854 178.066 176.300 -0.148 0.000 1.067 95 M CA 0.673 55.843 55.300 -0.217 0.000 1.074 95 M CB -1.071 31.373 32.600 -0.259 0.000 1.395 95 M HN 0.496 nan 8.290 nan 0.000 0.431 96 A N -0.092 122.676 122.820 -0.087 0.000 2.125 96 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 96 A C 2.113 179.725 177.584 0.046 0.000 1.156 96 A CA 1.720 53.742 52.037 -0.025 0.000 0.671 96 A CB -0.634 18.373 19.000 0.012 0.000 0.794 96 A HN 0.591 nan 8.150 nan 0.000 0.459 97 S N -0.444 115.269 115.700 0.023 0.000 2.614 97 S HA 0.206 4.675 4.470 -0.001 0.000 0.230 97 S C 0.556 175.210 174.600 0.089 0.000 0.952 97 S CA 0.324 58.584 58.200 0.100 0.000 0.949 97 S CB -0.938 62.290 63.200 0.047 0.000 0.786 97 S HN 0.619 nan 8.310 nan 0.000 0.478 98 T N -0.422 114.139 114.554 0.011 0.000 2.940 98 T HA 0.770 5.120 4.350 -0.001 0.000 0.288 98 T C -0.795 173.915 174.700 0.016 0.000 1.033 98 T CA -0.804 61.230 62.100 -0.111 0.000 1.033 98 T CB 1.343 70.051 68.868 -0.267 0.000 1.079 98 T HN 0.691 nan 8.240 nan 0.000 0.496 99 Y N -1.416 118.805 120.300 -0.132 0.000 2.662 99 Y HA 0.677 5.227 4.550 -0.001 0.000 0.334 99 Y C -2.171 173.598 175.900 -0.219 0.000 1.185 99 Y CA -2.430 55.591 58.100 -0.131 0.000 1.074 99 Y CB 0.503 39.104 38.460 0.235 0.000 1.330 99 Y HN 0.570 nan 8.280 nan 0.000 0.458 100 F N 2.384 122.504 119.950 0.284 0.000 2.411 100 F HA 0.297 4.823 4.527 -0.001 0.000 0.355 100 F C 0.322 176.289 175.800 0.278 0.000 1.117 100 F CA -0.443 57.659 58.000 0.170 0.000 1.139 100 F CB 0.966 40.055 39.000 0.147 0.000 1.120 100 F HN 0.563 nan 8.300 nan 0.000 0.493 101 D N 5.606 126.280 120.400 0.457 0.000 2.359 101 D HA 0.356 4.996 4.640 -0.001 0.000 0.230 101 D C -0.645 175.825 176.300 0.282 0.000 1.118 101 D CA -0.065 54.198 54.000 0.439 0.000 0.844 101 D CB 0.677 41.827 40.800 0.584 0.000 1.059 101 D HN 0.402 nan 8.370 nan 0.000 0.493 102 I N 3.251 123.936 120.570 0.192 0.000 2.474 102 I HA 0.425 4.594 4.170 -0.001 0.000 0.294 102 I C 0.342 176.504 176.117 0.075 0.000 1.005 102 I CA -0.813 60.524 61.300 0.062 0.000 1.113 102 I CB 2.037 39.995 38.000 -0.071 0.000 1.289 102 I HN 0.101 nan 8.210 nan 0.000 0.436 103 R N 3.043 123.477 120.500 -0.110 0.000 2.686 103 R HA 0.835 5.175 4.340 -0.001 0.000 0.286 103 R C -0.401 175.622 176.300 -0.462 0.000 0.969 103 R CA -0.615 55.292 56.100 -0.323 0.000 0.898 103 R CB 2.427 32.520 30.300 -0.344 0.000 1.183 103 R HN 0.906 nan 8.270 nan 0.000 0.456 104 G N 0.500 108.729 108.800 -0.951 0.000 2.494 104 G HA2 0.445 4.405 3.960 -0.001 0.000 0.308 104 G HA3 0.445 4.405 3.960 -0.001 0.000 0.308 104 G C -1.819 172.586 174.900 -0.825 0.000 1.263 104 G CA -0.412 44.210 45.100 -0.796 0.000 0.840 104 G HN 0.353 nan 8.290 nan 0.000 0.479 105 V N 0.178 119.882 119.914 -0.349 0.000 2.789 105 V HA 0.771 4.890 4.120 -0.001 0.000 0.311 105 V C -1.024 175.186 176.094 0.193 0.000 1.073 105 V CA -0.684 61.580 62.300 -0.061 0.000 0.921 105 V CB 1.682 33.471 31.823 -0.057 0.000 1.009 105 V HN 0.953 nan 8.190 nan 0.000 0.426 106 L N 2.987 124.368 121.223 0.264 0.000 2.408 106 L HA 0.831 5.170 4.340 -0.001 0.000 0.268 106 L C -1.277 175.633 176.870 0.066 0.000 0.986 106 L CA -0.009 54.925 54.840 0.157 0.000 0.820 106 L CB 2.067 44.196 42.059 0.118 0.000 1.303 106 L HN 0.724 nan 8.230 nan 0.000 0.411 107 D N 2.970 123.376 120.400 0.009 0.000 2.462 107 D HA 0.354 4.994 4.640 -0.001 0.000 0.245 107 D C 0.578 176.800 176.300 -0.130 0.000 1.122 107 D CA -0.345 53.659 54.000 0.007 0.000 0.864 107 D CB 1.375 42.245 40.800 0.116 0.000 1.098 107 D HN 0.621 nan 8.370 nan 0.000 0.541 108 R N 2.079 122.427 120.500 -0.254 0.000 2.237 108 R HA 0.274 4.613 4.340 -0.001 0.000 0.219 108 R C 1.283 177.468 176.300 -0.192 0.000 1.080 108 R CA 0.706 56.616 56.100 -0.318 0.000 0.995 108 R CB -0.099 29.818 30.300 -0.638 0.000 0.875 108 R HN 0.653 nan 8.270 nan 0.000 0.462 109 G N -0.043 108.659 108.800 -0.164 0.000 2.710 109 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.668 109 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.668 109 G C -2.188 172.640 174.900 -0.121 0.000 1.320 109 G CA -0.452 44.579 45.100 -0.114 0.000 0.860 109 G HN 0.010 nan 8.290 nan 0.000 0.538 110 P HA 0.014 nan 4.420 nan 0.000 0.241 110 P C 1.538 178.699 177.300 -0.233 0.000 1.191 110 P CA 1.962 64.986 63.100 -0.126 0.000 0.771 110 P CB 0.026 31.683 31.700 -0.071 0.000 0.929 111 T N -4.557 109.814 114.554 -0.304 0.000 3.129 111 T HA 0.047 4.397 4.350 -0.001 0.000 0.251 111 T C 0.350 174.674 174.700 -0.626 0.000 1.117 111 T CA -0.504 61.178 62.100 -0.697 0.000 1.034 111 T CB -0.937 67.580 68.868 -0.585 0.000 0.968 111 T HN -0.145 nan 8.240 nan 0.000 0.526 112 F N 2.835 122.513 119.950 -0.454 0.000 2.506 112 F HA 0.495 5.022 4.527 -0.001 0.000 0.371 112 F C 0.266 175.829 175.800 -0.395 0.000 1.078 112 F CA -1.276 56.504 58.000 -0.367 0.000 1.195 112 F CB 0.453 39.293 39.000 -0.265 0.000 1.099 112 F HN 0.018 nan 8.300 nan 0.000 0.548 113 K N 9.205 129.003 120.400 -1.003 0.000 2.723 113 K HA 0.315 4.634 4.320 -0.001 0.000 0.229 113 K C -2.554 173.333 176.600 -1.188 0.000 1.022 113 K CA -1.702 53.931 56.287 -1.090 0.000 1.045 113 K CB 1.341 33.356 32.500 -0.807 0.000 1.227 113 K HN 0.296 nan 8.250 nan 0.000 0.516 114 P HA -0.020 nan 4.420 nan 0.000 0.269 114 P C -1.357 175.775 177.300 -0.281 0.000 1.601 114 P CA 0.251 62.935 63.100 -0.692 0.000 0.831 114 P CB -0.658 30.907 31.700 -0.226 0.000 1.688 115 Y N -5.011 114.995 120.300 -0.490 0.000 2.732 115 Y HA 0.539 5.089 4.550 -0.001 0.000 0.342 115 Y C -1.106 174.657 175.900 -0.227 0.000 1.203 115 Y CA -1.356 56.603 58.100 -0.234 0.000 1.092 115 Y CB -0.147 38.225 38.460 -0.148 0.000 1.345 115 Y HN -0.337 nan 8.280 nan 0.000 0.458 116 S N 0.975 116.729 115.700 0.089 0.000 2.651 116 S HA 0.813 5.283 4.470 -0.001 0.000 0.291 116 S C 0.340 175.040 174.600 0.166 0.000 1.141 116 S CA 0.062 58.266 58.200 0.005 0.000 1.027 116 S CB 1.047 64.229 63.200 -0.030 0.000 1.043 116 S HN 1.858 nan 8.310 nan 0.000 0.530 117 G N 0.977 109.845 108.800 0.113 0.000 2.681 117 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.220 117 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.220 117 G C -0.257 174.745 174.900 0.170 0.000 1.353 117 G CA -0.130 45.064 45.100 0.156 0.000 0.872 117 G HN 0.928 nan 8.290 nan 0.000 0.557 118 T N -1.366 113.210 114.554 0.037 0.000 2.930 118 T HA 0.753 5.103 4.350 -0.001 0.000 0.290 118 T C 1.097 175.620 174.700 -0.296 0.000 1.052 118 T CA 0.711 62.749 62.100 -0.104 0.000 1.017 118 T CB 1.544 70.190 68.868 -0.369 0.000 1.137 118 T HN 2.046 nan 8.240 nan 0.000 0.511 119 A N 1.890 124.370 122.820 -0.567 0.000 2.348 119 A HA 0.397 4.716 4.320 -0.001 0.000 0.224 119 A C -0.697 176.361 177.584 -0.876 0.000 1.227 119 A CA 0.171 51.706 52.037 -0.837 0.000 0.885 119 A CB -0.081 18.245 19.000 -1.124 0.000 0.933 119 A HN 0.681 nan 8.150 nan 0.000 0.506 120 Y N 0.288 120.490 120.300 -0.163 0.000 2.326 120 Y HA 0.365 4.914 4.550 -0.001 0.000 0.331 120 Y C 0.129 175.932 175.900 -0.162 0.000 0.962 120 Y CA -2.027 56.004 58.100 -0.115 0.000 1.167 120 Y CB 0.577 39.006 38.460 -0.052 0.000 1.148 120 Y HN 0.266 nan 8.280 nan 0.000 0.463 121 N N 0.902 119.641 118.700 0.066 0.000 2.716 121 N HA -0.243 4.496 4.740 -0.001 0.000 0.250 121 N C 1.090 176.624 175.510 0.041 0.000 1.033 121 N CA 0.844 53.930 53.050 0.061 0.000 0.727 121 N CB -0.751 37.796 38.487 0.100 0.000 0.950 121 N HN 0.889 nan 8.380 nan 0.000 0.541 122 A N -0.135 122.676 122.820 -0.014 0.000 2.032 122 A HA -0.097 4.222 4.320 -0.001 0.000 0.221 122 A C 2.167 179.928 177.584 0.295 0.000 1.165 122 A CA 1.174 53.276 52.037 0.108 0.000 0.645 122 A CB -0.175 18.855 19.000 0.052 0.000 0.807 122 A HN 0.456 nan 8.150 nan 0.000 0.453 123 L N -0.883 120.447 121.223 0.177 0.000 2.554 123 L HA 0.125 4.464 4.340 -0.001 0.000 0.226 123 L C 1.391 178.352 176.870 0.152 0.000 1.137 123 L CA -0.019 54.908 54.840 0.145 0.000 0.863 123 L CB -0.500 41.616 42.059 0.095 0.000 0.985 123 L HN 0.399 nan 8.230 nan 0.000 0.451 124 A N 0.589 123.536 122.820 0.212 0.000 2.388 124 A HA 0.410 4.730 4.320 -0.001 0.000 0.257 124 A C -2.180 175.485 177.584 0.135 0.000 1.095 124 A CA -1.131 51.012 52.037 0.176 0.000 0.791 124 A CB -0.263 18.857 19.000 0.201 0.000 1.029 124 A HN -0.060 nan 8.150 nan 0.000 0.489 125 P HA 0.039 nan 4.420 nan 0.000 0.264 125 P C 0.272 177.552 177.300 -0.032 0.000 1.183 125 P CA 0.198 63.300 63.100 0.003 0.000 0.763 125 P CB 0.445 32.157 31.700 0.020 0.000 0.807 126 K N 1.727 122.029 120.400 -0.164 0.000 2.519 126 K HA -0.035 4.284 4.320 -0.001 0.000 0.196 126 K C 1.524 178.076 176.600 -0.081 0.000 1.041 126 K CA 1.149 57.291 56.287 -0.241 0.000 0.954 126 K CB -0.285 31.975 32.500 -0.400 0.000 0.774 126 K HN 0.609 nan 8.250 nan 0.000 0.480 127 G N 0.016 108.793 108.800 -0.038 0.000 3.274 127 G HA2 0.236 4.196 3.960 -0.001 0.000 0.250 127 G HA3 0.236 4.196 3.960 -0.001 0.000 0.250 127 G C -0.044 174.868 174.900 0.021 0.000 1.024 127 G CA -0.224 44.870 45.100 -0.009 0.000 0.840 127 G HN 0.203 nan 8.290 nan 0.000 0.522 128 A N 1.932 124.781 122.820 0.047 0.000 2.409 128 A HA 0.681 5.000 4.320 -0.001 0.000 0.262 128 A C -1.929 175.716 177.584 0.102 0.000 1.113 128 A CA -1.010 51.077 52.037 0.082 0.000 0.790 128 A CB 0.856 19.914 19.000 0.097 0.000 1.046 128 A HN 0.202 nan 8.150 nan 0.000 0.496 129 P HA 0.266 nan 4.420 nan 0.000 0.284 129 P C -0.823 176.569 177.300 0.153 0.000 1.292 129 P CA -0.744 62.429 63.100 0.122 0.000 0.800 129 P CB 0.957 32.721 31.700 0.106 0.000 1.188 130 N N -0.957 117.824 118.700 0.135 0.000 2.482 130 N HA 0.163 4.902 4.740 -0.001 0.000 0.279 130 N C -0.174 175.422 175.510 0.143 0.000 1.182 130 N CA -0.413 52.707 53.050 0.117 0.000 0.969 130 N CB 0.485 39.025 38.487 0.088 0.000 1.201 130 N HN 0.274 nan 8.380 nan 0.000 0.523 131 S N 0.697 116.456 115.700 0.098 0.000 2.509 131 S HA 0.158 4.627 4.470 -0.001 0.000 0.287 131 S C 0.456 175.136 174.600 0.132 0.000 1.248 131 S CA -0.417 57.836 58.200 0.088 0.000 1.089 131 S CB -0.811 62.401 63.200 0.020 0.000 0.900 131 S HN 0.601 nan 8.310 nan 0.000 0.496 132 C N 2.659 122.089 119.300 0.216 0.000 3.285 132 C HA 0.845 5.304 4.460 -0.001 0.000 0.320 132 C C -0.870 174.324 174.990 0.339 0.000 1.411 132 C CA -1.087 58.077 59.018 0.243 0.000 1.429 132 C CB 0.962 28.846 27.740 0.239 0.000 1.812 132 C HN 0.768 nan 8.230 nan 0.000 0.454 133 E N -0.619 119.778 120.200 0.328 0.000 2.416 133 E HA 0.733 5.083 4.350 -0.001 0.000 0.273 133 E C -1.690 175.170 176.600 0.434 0.000 0.935 133 E CA -0.251 56.321 56.400 0.285 0.000 0.784 133 E CB 2.533 32.296 29.700 0.105 0.000 1.301 133 E HN 0.892 nan 8.360 nan 0.000 0.454 134 W N -0.253 121.113 121.300 0.110 0.000 3.066 134 W HA 0.492 5.151 4.660 -0.002 0.000 0.330 134 W C -1.318 175.266 176.519 0.108 0.000 1.253 134 W CA -0.760 56.633 57.345 0.079 0.000 1.187 134 W CB 0.403 29.885 29.460 0.037 0.000 1.434 134 W HN 0.261 nan 8.180 nan 0.000 0.572 135 E N 1.672 122.003 120.200 0.219 0.000 2.283 135 E HA 0.434 4.784 4.350 -0.001 0.000 0.271 135 E C -0.615 176.111 176.600 0.210 0.000 1.031 135 E CA -0.761 55.719 56.400 0.132 0.000 0.868 135 E CB 2.045 31.813 29.700 0.113 0.000 1.094 135 E HN 0.473 nan 8.360 nan 0.000 0.401 173 H N 0.405 119.073 119.070 -0.670 0.000 2.544 173 H HA 0.888 5.443 4.556 -0.001 0.000 0.342 173 H C -0.073 174.730 175.328 -0.875 0.000 1.185 173 H CA -0.594 54.916 56.048 -0.898 0.000 1.264 173 H CB 1.252 30.093 29.762 -1.535 0.000 1.607 173 H HN 0.384 nan 8.280 nan 0.000 0.550 174 V N 1.145 120.803 119.914 -0.426 0.000 2.971 174 V HA 0.244 4.364 4.120 -0.001 0.000 0.309 174 V C -1.620 174.562 176.094 0.147 0.000 1.130 174 V CA -0.898 61.324 62.300 -0.130 0.000 0.964 174 V CB 2.227 33.980 31.823 -0.116 0.000 1.029 174 V HN 0.724 nan 8.190 nan 0.000 0.427 175 Y N 2.679 123.077 120.300 0.164 0.000 2.344 175 Y HA 0.807 5.356 4.550 -0.002 0.000 0.328 175 Y C -0.287 175.667 175.900 0.090 0.000 1.067 175 Y CA -0.081 58.129 58.100 0.184 0.000 1.247 175 Y CB 1.182 39.839 38.460 0.328 0.000 1.113 175 Y HN 1.007 nan 8.280 nan 0.000 0.465 176 A N 4.409 127.019 122.820 -0.350 0.000 2.567 176 A HA 0.773 5.092 4.320 -0.001 0.000 0.289 176 A C -1.819 175.584 177.584 -0.302 0.000 1.177 176 A CA -0.919 50.955 52.037 -0.272 0.000 0.694 176 A CB 2.154 21.057 19.000 -0.161 0.000 1.292 176 A HN 0.568 nan 8.150 nan 0.000 0.425 177 Q N -0.553 119.137 119.800 -0.183 0.000 2.347 177 Q HA 0.650 4.990 4.340 -0.001 0.000 0.271 177 Q C -1.215 174.732 176.000 -0.088 0.000 1.064 177 Q CA -0.660 55.061 55.803 -0.136 0.000 0.800 177 Q CB 2.151 30.831 28.738 -0.096 0.000 1.304 177 Q HN 1.285 nan 8.270 nan 0.000 0.438 178 A N 4.679 127.456 122.820 -0.073 0.000 2.664 178 A HA 0.403 4.722 4.320 -0.001 0.000 0.338 178 A C -2.086 175.481 177.584 -0.027 0.000 1.280 178 A CA -1.137 50.874 52.037 -0.042 0.000 0.809 178 A CB 0.486 19.464 19.000 -0.037 0.000 1.114 178 A HN 0.678 nan 8.150 nan 0.000 0.479 179 P HA 0.024 nan 4.420 nan 0.000 0.231 179 P C 0.230 177.522 177.300 -0.013 0.000 1.168 179 P CA 0.266 63.358 63.100 -0.013 0.000 0.779 179 P CB 0.228 31.923 31.700 -0.008 0.000 0.844 180 L N 0.689 121.900 121.223 -0.021 0.000 2.260 180 L HA 0.338 4.677 4.340 -0.001 0.000 0.289 180 L C 0.158 177.019 176.870 -0.015 0.000 1.057 180 L CA -0.514 54.311 54.840 -0.025 0.000 0.811 180 L CB 0.823 42.853 42.059 -0.049 0.000 1.184 180 L HN -0.213 nan 8.230 nan 0.000 0.429 181 S N 3.281 118.973 115.700 -0.014 0.000 2.523 181 S HA 0.764 5.234 4.470 -0.001 0.000 0.275 181 S C 0.165 174.758 174.600 -0.013 0.000 1.281 181 S CA -0.045 58.149 58.200 -0.009 0.000 1.050 181 S CB 0.325 63.518 63.200 -0.012 0.000 0.937 181 S HN 0.909 nan 8.310 nan 0.000 0.492 182 G N 2.395 111.192 108.800 -0.004 0.000 2.735 182 G HA2 0.395 4.354 3.960 -0.001 0.000 0.301 182 G HA3 0.395 4.354 3.960 -0.001 0.000 0.301 182 G C 0.189 175.080 174.900 -0.016 0.000 1.279 182 G CA -0.497 44.596 45.100 -0.012 0.000 1.019 182 G HN 0.739 nan 8.290 nan 0.000 0.497 183 E N -1.127 119.052 120.200 -0.034 0.000 2.033 183 E HA 0.252 4.602 4.350 -0.001 0.000 0.189 183 E C 1.134 177.722 176.600 -0.019 0.000 0.979 183 E CA 1.525 57.904 56.400 -0.036 0.000 0.802 183 E CB 0.199 29.861 29.700 -0.064 0.000 0.763 183 E HN 0.776 nan 8.360 nan 0.000 0.449 184 T N -0.437 114.106 114.554 -0.018 0.000 2.769 184 T HA 0.592 4.941 4.350 -0.001 0.000 0.306 184 T C -1.025 173.715 174.700 0.067 0.000 1.400 184 T CA -0.704 61.408 62.100 0.020 0.000 1.007 184 T CB 1.001 69.876 68.868 0.012 0.000 1.392 184 T HN 0.049 nan 8.240 nan 0.000 0.500 185 I N 2.444 123.087 120.570 0.122 0.000 2.499 185 I HA 0.602 4.771 4.170 -0.001 0.000 0.288 185 I C 0.483 176.732 176.117 0.220 0.000 1.048 185 I CA -0.777 60.652 61.300 0.215 0.000 1.062 185 I CB 2.394 40.536 38.000 0.236 0.000 1.238 185 I HN 0.939 nan 8.210 nan 0.000 0.426 186 T N 0.618 115.353 114.554 0.301 0.000 2.724 186 T HA 0.496 4.845 4.350 -0.001 0.000 0.274 186 T C 1.000 175.756 174.700 0.093 0.000 0.984 186 T CA -0.096 62.100 62.100 0.160 0.000 1.024 186 T CB 1.414 70.399 68.868 0.195 0.000 1.320 186 T HN 0.497 nan 8.240 nan 0.000 0.555 187 K N -0.223 120.124 120.400 -0.087 0.000 2.280 187 K HA 0.223 4.542 4.320 -0.001 0.000 0.202 187 K C 2.433 179.034 176.600 0.002 0.000 1.047 187 K CA 2.064 58.257 56.287 -0.158 0.000 0.942 187 K CB -1.753 30.636 32.500 -0.185 0.000 0.739 187 K HN 0.985 nan 8.250 nan 0.000 0.457 188 S N -0.446 115.180 115.700 -0.122 0.000 2.603 188 S HA 0.477 4.947 4.470 -0.001 0.000 0.220 188 S C 1.400 175.913 174.600 -0.144 0.000 0.967 188 S CA 0.980 58.976 58.200 -0.341 0.000 0.920 188 S CB -0.438 62.161 63.200 -1.002 0.000 0.773 188 S HN 1.598 nan 8.310 nan 0.000 0.529 189 G N -0.283 108.628 108.800 0.185 0.000 2.428 189 G HA2 0.102 4.061 3.960 -0.001 0.000 0.202 189 G HA3 0.102 4.061 3.960 -0.001 0.000 0.202 189 G C -0.856 174.320 174.900 0.461 0.000 1.247 189 G CA -0.339 44.917 45.100 0.260 0.000 1.020 189 G HN 0.925 nan 8.290 nan 0.000 0.529 190 L N 1.126 122.605 121.223 0.425 0.000 2.349 190 L HA 0.702 5.041 4.340 -0.001 0.000 0.275 190 L C 1.156 178.110 176.870 0.140 0.000 1.115 190 L CA 1.113 56.116 54.840 0.272 0.000 0.820 190 L CB 0.739 42.922 42.059 0.206 0.000 1.135 190 L HN 1.469 nan 8.230 nan 0.000 0.445 191 Q N 5.195 124.955 119.800 -0.067 0.000 2.389 191 Q HA 0.324 4.663 4.340 -0.001 0.000 0.244 191 Q C 0.733 176.626 176.000 -0.178 0.000 1.056 191 Q CA 0.075 55.673 55.803 -0.342 0.000 0.908 191 Q CB -0.261 28.255 28.738 -0.372 0.000 1.273 191 Q HN 0.854 nan 8.270 nan 0.000 0.471 192 I N 0.741 121.220 120.570 -0.152 0.000 2.353 192 I HA 0.261 4.430 4.170 -0.001 0.000 0.248 192 I C 1.314 177.375 176.117 -0.093 0.000 1.119 192 I CA 1.448 62.690 61.300 -0.097 0.000 1.417 192 I CB 0.197 38.149 38.000 -0.081 0.000 1.078 192 I HN 0.806 nan 8.210 nan 0.000 0.421 204 V N 1.927 121.781 119.914 -0.100 0.000 2.427 204 V HA 0.709 4.828 4.120 -0.001 0.000 0.286 204 V C -0.492 175.524 176.094 -0.130 0.000 1.034 204 V CA -0.729 61.556 62.300 -0.025 0.000 0.893 204 V CB 1.243 33.060 31.823 -0.010 0.000 0.982 204 V HN 0.212 nan 8.190 nan 0.000 0.452 205 Y N 3.105 123.412 120.300 0.011 0.000 2.519 205 Y HA 0.699 5.248 4.550 -0.001 0.000 0.324 205 Y C 0.808 176.702 175.900 -0.011 0.000 1.214 205 Y CA -0.488 57.626 58.100 0.022 0.000 1.260 205 Y CB 1.684 40.176 38.460 0.053 0.000 1.311 205 Y HN 0.854 nan 8.280 nan 0.000 0.505 206 A N 1.111 124.025 122.820 0.157 0.000 2.450 206 A HA 0.099 4.418 4.320 -0.001 0.000 0.255 206 A C -0.224 177.336 177.584 -0.040 0.000 1.096 206 A CA -0.400 51.609 52.037 -0.046 0.000 0.778 206 A CB -0.244 18.643 19.000 -0.189 0.000 1.031 206 A HN 0.671 nan 8.150 nan 0.000 0.494 207 D N 4.575 124.857 120.400 -0.197 0.000 2.344 207 D HA 0.114 4.753 4.640 -0.001 0.000 0.253 207 D C -1.230 174.958 176.300 -0.186 0.000 1.255 207 D CA -1.708 52.200 54.000 -0.152 0.000 0.894 207 D CB 0.974 41.661 40.800 -0.189 0.000 1.067 207 D HN 0.280 nan 8.370 nan 0.000 0.492 208 P HA -0.194 nan 4.420 nan 0.000 0.222 208 P C 1.162 178.503 177.300 0.068 0.000 1.142 208 P CA 0.833 64.025 63.100 0.152 0.000 0.788 208 P CB 0.129 32.016 31.700 0.311 0.000 0.767 209 S N -0.761 114.973 115.700 0.057 0.000 2.428 209 S HA -0.144 4.326 4.470 -0.001 0.000 0.230 209 S C 1.662 176.371 174.600 0.181 0.000 1.014 209 S CA 0.937 59.202 58.200 0.109 0.000 0.957 209 S CB -1.178 62.084 63.200 0.103 0.000 0.784 209 S HN 0.387 nan 8.310 nan 0.000 0.499 210 Y N -0.606 119.651 120.300 -0.072 0.000 2.710 210 Y HA 0.508 5.057 4.550 -0.001 0.000 0.278 210 Y C -0.139 175.708 175.900 -0.089 0.000 1.014 210 Y CA -1.040 57.034 58.100 -0.044 0.000 1.227 210 Y CB -0.057 38.420 38.460 0.028 0.000 1.408 210 Y HN 0.151 nan 8.280 nan 0.000 0.580 211 Q N 4.175 123.582 119.800 -0.656 0.000 2.309 211 Q HA 0.474 4.814 4.340 -0.001 0.000 0.264 211 Q C -2.793 172.757 176.000 -0.749 0.000 1.008 211 Q CA -2.488 52.927 55.803 -0.647 0.000 0.853 211 Q CB 2.462 30.756 28.738 -0.740 0.000 1.314 211 Q HN 0.027 nan 8.270 nan 0.000 0.448 212 P HA 0.003 nan 4.420 nan 0.000 0.274 212 P C -0.962 176.208 177.300 -0.218 0.000 1.231 212 P CA -0.137 62.746 63.100 -0.362 0.000 0.790 212 P CB 0.835 32.372 31.700 -0.273 0.000 0.951 213 E N 3.921 124.047 120.200 -0.124 0.000 2.152 213 E HA 0.109 4.459 4.350 -0.001 0.000 0.285 213 E C -1.291 175.300 176.600 -0.015 0.000 1.043 213 E CA -1.821 54.564 56.400 -0.025 0.000 0.839 213 E CB 0.566 30.293 29.700 0.045 0.000 1.069 213 E HN 0.391 nan 8.360 nan 0.000 0.399 214 P HA -0.280 nan 4.420 nan 0.000 0.218 214 P C 1.060 178.372 177.300 0.019 0.000 1.146 214 P CA 1.416 64.520 63.100 0.007 0.000 0.820 214 P CB 0.279 31.990 31.700 0.019 0.000 0.778 215 Q N -0.159 119.659 119.800 0.030 0.000 2.365 215 Q HA 0.087 4.426 4.340 -0.001 0.000 0.203 215 Q C 0.461 176.479 176.000 0.030 0.000 0.929 215 Q CA 0.172 55.997 55.803 0.036 0.000 0.948 215 Q CB -0.318 28.447 28.738 0.046 0.000 1.043 215 Q HN 0.335 nan 8.270 nan 0.000 0.505 216 I N 0.956 121.537 120.570 0.018 0.000 2.389 216 I HA 0.570 4.739 4.170 -0.001 0.000 0.288 216 I C 0.203 176.322 176.117 0.004 0.000 0.999 216 I CA -0.754 60.554 61.300 0.013 0.000 1.129 216 I CB 1.892 39.897 38.000 0.007 0.000 1.288 216 I HN 0.124 nan 8.210 nan 0.000 0.444 217 G N 5.199 114.005 108.800 0.011 0.000 3.259 217 G HA2 0.443 4.402 3.960 -0.001 0.000 0.178 217 G HA3 0.443 4.402 3.960 -0.001 0.000 0.178 217 G C -0.858 174.047 174.900 0.008 0.000 1.129 217 G CA -0.427 44.678 45.100 0.008 0.000 0.816 217 G HN 0.517 nan 8.290 nan 0.000 0.634 218 E N 0.322 120.529 120.200 0.012 0.000 2.343 218 E HA 0.333 4.682 4.350 -0.001 0.000 0.269 218 E C 0.336 176.947 176.600 0.017 0.000 1.047 218 E CA -0.279 56.125 56.400 0.007 0.000 0.874 218 E CB 1.702 31.403 29.700 0.002 0.000 1.033 218 E HN 0.232 nan 8.360 nan 0.000 0.409 219 S N 1.260 116.964 115.700 0.007 0.000 2.527 219 S HA -0.033 4.437 4.470 -0.001 0.000 0.222 219 S C 0.241 174.855 174.600 0.022 0.000 0.985 219 S CA 0.474 58.684 58.200 0.017 0.000 0.921 219 S CB 0.174 63.379 63.200 0.008 0.000 0.772 219 S HN 0.390 nan 8.310 nan 0.000 0.529 220 Q N -0.452 119.346 119.800 -0.004 0.000 2.433 220 Q HA 0.254 4.593 4.340 -0.001 0.000 0.279 220 Q C 0.288 176.290 176.000 0.003 0.000 1.105 220 Q CA -0.804 54.981 55.803 -0.029 0.000 0.815 220 Q CB 1.017 29.659 28.738 -0.161 0.000 1.403 220 Q HN 0.525 nan 8.270 nan 0.000 0.435 221 W N 1.144 122.460 121.300 0.027 0.000 2.518 221 W HA -0.012 4.647 4.660 -0.002 0.000 0.273 221 W C 0.302 176.838 176.519 0.029 0.000 1.247 221 W CA 0.608 57.972 57.345 0.031 0.000 1.288 221 W CB -0.073 29.411 29.460 0.039 0.000 1.107 221 W HN 0.572 nan 8.180 nan 0.000 0.586 222 N N 1.896 120.046 118.700 -0.918 0.000 3.271 222 N HA 0.049 4.789 4.740 -0.001 0.000 0.303 222 N C -0.572 174.696 175.510 -0.403 0.000 1.415 222 N CA 0.156 52.681 53.050 -0.875 0.000 1.159 222 N CB -0.025 37.519 38.487 -1.572 0.000 1.432 222 N HN 0.002 nan 8.380 nan 0.000 0.521 223 E N 0.590 120.674 120.200 -0.193 0.000 2.313 223 E HA 0.403 4.752 4.350 -0.001 0.000 0.272 223 E C -0.238 176.314 176.600 -0.080 0.000 1.038 223 E CA -0.601 55.728 56.400 -0.118 0.000 0.863 223 E CB 1.870 31.534 29.700 -0.060 0.000 1.060 223 E HN 0.531 nan 8.360 nan 0.000 0.402 224 A N 1.659 124.439 122.820 -0.067 0.000 2.331 224 A HA 0.404 4.723 4.320 -0.001 0.000 0.283 224 A C 0.350 177.919 177.584 -0.025 0.000 1.142 224 A CA 0.100 52.111 52.037 -0.044 0.000 0.812 224 A CB -0.248 18.727 19.000 -0.042 0.000 1.074 224 A HN 0.719 nan 8.150 nan 0.000 0.497 225 D N 1.213 121.605 120.400 -0.013 0.000 2.586 225 D HA 0.445 5.085 4.640 -0.001 0.000 0.234 225 D C 0.513 176.810 176.300 -0.005 0.000 1.132 225 D CA 0.491 54.488 54.000 -0.005 0.000 0.860 225 D CB 0.250 41.051 40.800 0.001 0.000 1.159 225 D HN 1.407 nan 8.370 nan 0.000 0.490 226 A N 2.004 124.823 122.820 -0.002 0.000 2.401 226 A HA 0.541 4.861 4.320 -0.001 0.000 0.259 226 A C 1.853 179.442 177.584 0.008 0.000 1.103 226 A CA 0.586 52.623 52.037 0.000 0.000 0.789 226 A CB -0.291 18.709 19.000 0.001 0.000 1.035 226 A HN 1.229 nan 8.150 nan 0.000 0.491 227 N N 1.028 119.733 118.700 0.008 0.000 2.331 227 N HA 0.368 5.107 4.740 -0.001 0.000 0.180 227 N C 0.576 176.103 175.510 0.028 0.000 1.019 227 N CA 1.467 54.526 53.050 0.016 0.000 0.881 227 N CB -0.066 38.428 38.487 0.011 0.000 0.972 227 N HN 1.692 nan 8.380 nan 0.000 0.435 228 A N -1.135 121.701 122.820 0.027 0.000 2.437 228 A HA 0.811 5.130 4.320 -0.001 0.000 0.293 228 A C -0.559 177.047 177.584 0.037 0.000 1.038 228 A CA 0.084 52.148 52.037 0.044 0.000 0.708 228 A CB 1.004 20.034 19.000 0.050 0.000 1.251 228 A HN 1.219 nan 8.150 nan 0.000 0.409 229 A N 1.074 123.921 122.820 0.046 0.000 2.479 229 A HA 1.024 5.344 4.320 -0.001 0.000 0.296 229 A C 0.075 177.691 177.584 0.052 0.000 1.121 229 A CA -0.249 51.807 52.037 0.032 0.000 0.743 229 A CB 1.740 20.748 19.000 0.014 0.000 1.323 229 A HN 2.227 nan 8.150 nan 0.000 0.415 230 G N -1.668 107.155 108.800 0.038 0.000 2.672 230 G HA2 0.827 4.787 3.960 -0.001 0.000 0.292 230 G HA3 0.827 4.787 3.960 -0.001 0.000 0.292 230 G C -0.431 174.483 174.900 0.024 0.000 1.375 230 G CA -0.213 44.929 45.100 0.069 0.000 0.890 230 G HN 1.900 nan 8.290 nan 0.000 0.476 231 G N -0.776 108.056 108.800 0.053 0.000 2.368 231 G HA2 0.554 4.513 3.960 -0.001 0.000 0.293 231 G HA3 0.554 4.513 3.960 -0.001 0.000 0.293 231 G C -1.199 173.734 174.900 0.056 0.000 1.467 231 G CA -1.005 44.100 45.100 0.008 0.000 0.804 231 G HN 0.650 nan 8.290 nan 0.000 0.535 232 R N -1.248 119.265 120.500 0.022 0.000 2.596 232 R HA 0.824 5.164 4.340 -0.001 0.000 0.267 232 R C -0.919 175.408 176.300 0.046 0.000 1.026 232 R CA -0.864 55.269 56.100 0.055 0.000 1.087 232 R CB 2.130 32.445 30.300 0.026 0.000 1.132 232 R HN 0.630 nan 8.270 nan 0.000 0.531 233 V N 2.118 122.069 119.914 0.061 0.000 3.077 233 V HA 0.335 4.454 4.120 -0.001 0.000 0.299 233 V C -1.538 174.597 176.094 0.068 0.000 1.276 233 V CA -0.845 61.490 62.300 0.057 0.000 0.993 233 V CB 2.311 34.163 31.823 0.049 0.000 1.076 233 V HN 0.549 nan 8.190 nan 0.000 0.434 234 L N 5.468 126.738 121.223 0.079 0.000 2.276 234 L HA 0.505 4.844 4.340 -0.001 0.000 0.286 234 L C 0.542 177.467 176.870 0.092 0.000 1.061 234 L CA -0.404 54.483 54.840 0.077 0.000 0.807 234 L CB 1.020 43.125 42.059 0.078 0.000 1.177 234 L HN 0.598 nan 8.230 nan 0.000 0.429 235 K N 2.414 122.859 120.400 0.074 0.000 2.336 235 K HA -0.019 4.300 4.320 -0.001 0.000 0.262 235 K C 1.106 177.762 176.600 0.094 0.000 0.992 235 K CA -0.116 56.216 56.287 0.075 0.000 0.927 235 K CB 0.675 33.207 32.500 0.054 0.000 0.956 235 K HN 0.544 nan 8.250 nan 0.000 0.495 236 K N -0.053 120.408 120.400 0.102 0.000 2.442 236 K HA -0.113 4.206 4.320 -0.001 0.000 0.198 236 K C 0.969 177.628 176.600 0.098 0.000 1.044 236 K CA 1.661 58.025 56.287 0.128 0.000 0.948 236 K CB -0.248 32.327 32.500 0.125 0.000 0.762 236 K HN 0.593 nan 8.250 nan 0.000 0.472 237 T N -1.497 113.099 114.554 0.071 0.000 3.148 237 T HA 0.019 4.368 4.350 -0.001 0.000 0.253 237 T C 0.531 175.260 174.700 0.048 0.000 1.134 237 T CA -0.024 62.108 62.100 0.054 0.000 1.051 237 T CB -0.010 68.882 68.868 0.041 0.000 0.959 237 T HN 0.043 nan 8.240 nan 0.000 0.525 238 T N 5.043 119.630 114.554 0.055 0.000 2.767 238 T HA 0.416 4.765 4.350 -0.001 0.000 0.284 238 T C -2.614 172.116 174.700 0.049 0.000 0.973 238 T CA -1.431 60.695 62.100 0.044 0.000 0.996 238 T CB 1.508 70.401 68.868 0.041 0.000 0.927 238 T HN 0.132 nan 8.240 nan 0.000 0.456 239 P HA 0.086 nan 4.420 nan 0.000 0.265 239 P C -0.511 176.809 177.300 0.033 0.000 1.193 239 P CA -0.157 62.962 63.100 0.032 0.000 0.765 239 P CB 0.503 32.216 31.700 0.022 0.000 0.823 240 M N 3.342 122.959 119.600 0.028 0.000 2.200 240 M HA 0.186 4.666 4.480 -0.001 0.000 0.355 240 M C 0.631 176.941 176.300 0.016 0.000 1.283 240 M CA 0.593 55.908 55.300 0.025 0.000 1.124 240 M CB 0.343 32.940 32.600 -0.004 0.000 1.625 240 M HN 0.140 nan 8.290 nan 0.000 0.463 241 K N 3.487 123.905 120.400 0.031 0.000 2.477 241 K HA 0.591 4.911 4.320 -0.001 0.000 0.255 241 K C -2.745 173.889 176.600 0.057 0.000 0.952 241 K CA -2.023 54.287 56.287 0.038 0.000 0.826 241 K CB 1.640 34.165 32.500 0.042 0.000 1.331 241 K HN 0.200 nan 8.250 nan 0.000 0.437 242 P HA 0.082 nan 4.420 nan 0.000 0.271 242 P C 0.975 178.350 177.300 0.126 0.000 1.216 242 P CA -0.250 62.910 63.100 0.099 0.000 0.776 242 P CB 0.602 32.371 31.700 0.115 0.000 0.881 243 C N 3.973 123.352 119.300 0.131 0.000 2.385 243 C HA -0.215 4.244 4.460 -0.001 0.000 0.275 243 C C 1.395 176.483 174.990 0.164 0.000 1.207 243 C CA 0.616 59.714 59.018 0.133 0.000 1.760 243 C CB -1.637 26.183 27.740 0.133 0.000 2.051 243 C HN 0.552 nan 8.230 nan 0.000 0.467 244 Y N 1.258 121.601 120.300 0.072 0.000 2.754 244 Y HA 0.392 4.941 4.550 -0.001 0.000 0.349 244 Y C 1.163 177.122 175.900 0.098 0.000 1.179 244 Y CA 1.088 59.235 58.100 0.078 0.000 1.538 244 Y CB -0.280 38.209 38.460 0.048 0.000 1.200 244 Y HN 0.632 nan 8.280 nan 0.000 0.522 245 G N 2.837 111.518 108.800 -0.198 0.000 2.195 245 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.224 245 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.224 245 G C 0.180 175.138 174.900 0.097 0.000 0.990 245 G CA 0.013 45.084 45.100 -0.048 0.000 0.639 245 G HN 0.667 nan 8.290 nan 0.000 0.514 246 S N 0.284 116.031 115.700 0.077 0.000 2.531 246 S HA 0.569 5.039 4.470 -0.001 0.000 0.279 246 S C -0.521 174.072 174.600 -0.012 0.000 1.305 246 S CA 0.167 58.392 58.200 0.040 0.000 1.058 246 S CB 1.067 64.296 63.200 0.047 0.000 0.899 246 S HN 0.857 nan 8.310 nan 0.000 0.493 247 Y N 1.198 121.332 120.300 -0.277 0.000 2.513 247 Y HA 0.589 5.138 4.550 -0.001 0.000 0.340 247 Y C -1.242 174.510 175.900 -0.246 0.000 1.055 247 Y CA -0.967 56.863 58.100 -0.450 0.000 1.020 247 Y CB 1.239 39.040 38.460 -1.097 0.000 1.301 247 Y HN 0.668 nan 8.280 nan 0.000 0.453 248 A N 6.255 128.418 122.820 -1.095 0.000 2.442 248 A HA 0.575 4.894 4.320 -0.001 0.000 0.284 248 A C -1.137 175.869 177.584 -0.964 0.000 1.058 248 A CA -0.957 50.587 52.037 -0.822 0.000 0.738 248 A CB 0.750 19.537 19.000 -0.354 0.000 1.242 248 A HN 0.939 nan 8.150 nan 0.000 0.421 249 R N 3.262 123.249 120.500 -0.856 0.000 2.698 249 R HA 0.347 4.687 4.340 -0.001 0.000 0.266 249 R C -2.357 173.835 176.300 -0.180 0.000 1.026 249 R CA -0.539 55.342 56.100 -0.366 0.000 1.102 249 R CB 0.012 30.270 30.300 -0.070 0.000 0.978 249 R HN 0.387 nan 8.270 nan 0.000 0.436 250 P HA 0.020 nan 4.420 nan 0.000 0.275 250 P C -0.175 177.123 177.300 -0.002 0.000 1.228 250 P CA -0.305 62.783 63.100 -0.021 0.000 0.786 250 P CB 1.450 33.160 31.700 0.017 0.000 0.927 251 T N -1.957 112.604 114.554 0.012 0.000 3.044 251 T HA 0.185 4.534 4.350 -0.001 0.000 0.260 251 T C 0.265 174.990 174.700 0.042 0.000 1.019 251 T CA -0.301 61.812 62.100 0.022 0.000 0.921 251 T CB -0.638 68.240 68.868 0.016 0.000 1.053 251 T HN 0.597 nan 8.240 nan 0.000 0.533 252 N N -0.310 118.426 118.700 0.061 0.000 2.396 252 N HA 0.438 5.177 4.740 -0.001 0.000 0.275 252 N C -2.724 172.842 175.510 0.094 0.000 1.218 252 N CA -1.911 51.196 53.050 0.095 0.000 0.812 252 N CB 1.010 39.573 38.487 0.127 0.000 1.592 252 N HN -0.262 nan 8.380 nan 0.000 0.480 253 P HA -0.068 nan 4.420 nan 0.000 0.234 253 P C -0.355 176.768 177.300 -0.295 0.000 1.162 253 P CA 0.950 63.990 63.100 -0.099 0.000 0.759 253 P CB -0.145 31.457 31.700 -0.163 0.000 0.813 254 F N -0.841 118.988 119.950 -0.202 0.000 2.653 254 F HA 0.426 4.952 4.527 -0.001 0.000 0.304 254 F C 1.863 177.590 175.800 -0.121 0.000 1.092 254 F CA 0.404 58.210 58.000 -0.324 0.000 1.279 254 F CB -0.175 38.265 39.000 -0.933 0.000 1.044 254 F HN 0.052 nan 8.300 nan 0.000 0.564 255 G N 0.002 108.852 108.800 0.084 0.000 2.175 255 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.244 255 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.244 255 G C 0.800 175.762 174.900 0.104 0.000 0.982 255 G CA -0.288 44.864 45.100 0.087 0.000 0.641 255 G HN 0.727 nan 8.290 nan 0.000 0.527 256 G N -0.507 108.378 108.800 0.141 0.000 2.432 256 G HA2 0.444 4.404 3.960 -0.001 0.000 0.239 256 G HA3 0.444 4.404 3.960 -0.001 0.000 0.239 256 G C 0.538 175.470 174.900 0.054 0.000 1.291 256 G CA 0.454 45.625 45.100 0.118 0.000 0.863 256 G HN 0.499 nan 8.290 nan 0.000 0.560 257 Q N 0.122 119.938 119.800 0.026 0.000 2.189 257 Q HA 0.110 4.449 4.340 -0.001 0.000 0.223 257 Q C 1.208 177.201 176.000 -0.013 0.000 0.828 257 Q CA -0.194 55.597 55.803 -0.020 0.000 0.967 257 Q CB 0.691 29.391 28.738 -0.065 0.000 1.139 257 Q HN 0.675 nan 8.270 nan 0.000 0.497 258 S N -0.097 115.613 115.700 0.016 0.000 2.558 258 S HA 0.137 4.606 4.470 -0.001 0.000 0.288 258 S C 0.492 175.099 174.600 0.012 0.000 1.318 258 S CA -0.671 57.541 58.200 0.019 0.000 1.056 258 S CB 0.851 64.074 63.200 0.037 0.000 0.853 258 S HN 0.036 nan 8.310 nan 0.000 0.505 259 V N 4.536 124.455 119.914 0.008 0.000 2.529 259 V HA 0.088 4.207 4.120 -0.001 0.000 0.292 259 V C 0.712 176.814 176.094 0.013 0.000 1.028 259 V CA -0.165 62.139 62.300 0.007 0.000 1.074 259 V CB -0.242 31.585 31.823 0.006 0.000 0.958 259 V HN 0.751 nan 8.190 nan 0.000 0.481 260 L N 5.458 126.689 121.223 0.013 0.000 2.464 260 L HA 0.450 4.790 4.340 -0.001 0.000 0.264 260 L C 0.093 176.971 176.870 0.014 0.000 1.199 260 L CA 0.035 54.885 54.840 0.016 0.000 0.818 260 L CB 1.019 43.088 42.059 0.017 0.000 1.102 260 L HN 0.394 nan 8.230 nan 0.000 0.473 270 P HA 0.468 nan 4.420 nan 0.000 0.265 270 P C -0.051 177.266 177.300 0.029 0.000 1.222 270 P CA 1.350 64.469 63.100 0.031 0.000 0.767 270 P CB 0.264 31.989 31.700 0.040 0.000 0.801 271 K N 3.365 123.781 120.400 0.027 0.000 2.290 271 K HA 0.395 4.715 4.320 -0.001 0.000 0.250 271 K C -0.471 176.146 176.600 0.028 0.000 1.092 271 K CA -0.460 55.841 56.287 0.022 0.000 1.006 271 K CB -0.180 32.330 32.500 0.017 0.000 1.549 271 K HN 0.336 nan 8.250 nan 0.000 0.436 272 V N 3.480 123.414 119.914 0.033 0.000 2.357 272 V HA 0.324 4.443 4.120 -0.001 0.000 0.284 272 V C -0.835 175.260 176.094 0.001 0.000 1.018 272 V CA -1.154 61.172 62.300 0.042 0.000 0.841 272 V CB 1.372 33.253 31.823 0.097 0.000 0.991 272 V HN 0.785 nan 8.190 nan 0.000 0.437 273 D N 4.731 125.117 120.400 -0.023 0.000 2.217 273 D HA 0.474 5.113 4.640 -0.001 0.000 0.243 273 D C -0.448 175.762 176.300 -0.151 0.000 1.054 273 D CA -0.472 53.489 54.000 -0.066 0.000 0.838 273 D CB 2.551 43.329 40.800 -0.036 0.000 1.162 273 D HN 0.163 nan 8.370 nan 0.000 0.472 274 L N 2.001 123.077 121.223 -0.246 0.000 2.349 274 L HA 0.184 4.524 4.340 -0.001 0.000 0.275 274 L C 0.527 177.159 176.870 -0.396 0.000 1.115 274 L CA 0.167 54.715 54.840 -0.487 0.000 0.820 274 L CB 0.441 42.104 42.059 -0.660 0.000 1.135 274 L HN 0.160 nan 8.230 nan 0.000 0.445 275 Q N 3.276 122.786 119.800 -0.483 0.000 2.310 275 Q HA 0.544 4.883 4.340 -0.001 0.000 0.270 275 Q C -1.471 174.232 176.000 -0.495 0.000 1.025 275 Q CA -0.500 55.105 55.803 -0.330 0.000 0.772 275 Q CB 2.014 30.699 28.738 -0.088 0.000 1.253 275 Q HN 0.293 nan 8.270 nan 0.000 0.450 276 F N 1.626 121.339 119.950 -0.395 0.000 2.425 276 F HA 0.648 5.174 4.527 -0.002 0.000 0.331 276 F C -0.240 175.201 175.800 -0.598 0.000 1.085 276 F CA -0.696 57.145 58.000 -0.264 0.000 1.028 276 F CB 0.833 39.736 39.000 -0.161 0.000 1.177 276 F HN 0.381 nan 8.300 nan 0.000 0.487 277 F N 0.005 120.034 119.950 0.132 0.000 2.629 277 F HA 0.725 5.250 4.527 -0.002 0.000 0.316 277 F C 0.054 175.889 175.800 0.058 0.000 1.081 277 F CA -0.849 57.189 58.000 0.063 0.000 0.954 277 F CB 2.047 41.057 39.000 0.016 0.000 1.337 277 F HN 0.441 nan 8.300 nan 0.000 0.474 278 S N 0.142 115.975 115.700 0.221 0.000 2.643 278 S HA 0.550 5.020 4.470 -0.001 0.000 0.270 278 S C -1.387 173.273 174.600 0.101 0.000 1.166 278 S CA -0.767 57.508 58.200 0.126 0.000 0.815 278 S CB 1.214 64.457 63.200 0.072 0.000 1.139 278 S HN 0.620 nan 8.310 nan 0.000 0.472 291 T N 1.565 116.110 114.554 -0.016 0.000 4.313 291 T HA 0.597 4.946 4.350 -0.001 0.000 0.272 291 T C 0.487 175.177 174.700 -0.016 0.000 1.298 291 T CA 0.841 62.933 62.100 -0.014 0.000 1.124 291 T CB -0.752 68.102 68.868 -0.023 0.000 1.352 291 T HN 1.453 nan 8.240 nan 0.000 1.013 292 K N 2.288 122.686 120.400 -0.003 0.000 2.218 292 K HA 0.628 4.947 4.320 -0.001 0.000 0.276 292 K C -2.681 173.938 176.600 0.031 0.000 1.022 292 K CA -1.731 54.558 56.287 0.002 0.000 0.946 292 K CB -0.416 32.089 32.500 0.009 0.000 1.000 292 K HN 0.430 nan 8.250 nan 0.000 0.468 293 P HA 0.258 nan 4.420 nan 0.000 0.271 293 P C 0.477 177.853 177.300 0.126 0.000 1.216 293 P CA 0.163 63.337 63.100 0.123 0.000 0.771 293 P CB 1.328 33.150 31.700 0.203 0.000 0.864 294 K N 0.983 121.464 120.400 0.136 0.000 2.399 294 K HA 0.319 4.638 4.320 -0.001 0.000 0.196 294 K C 0.458 177.127 176.600 0.115 0.000 1.117 294 K CA 0.709 57.059 56.287 0.105 0.000 0.965 294 K CB 0.174 32.721 32.500 0.079 0.000 0.983 294 K HN 0.338 nan 8.250 nan 0.000 0.531 295 V N 1.147 121.159 119.914 0.163 0.000 2.789 295 V HA 0.650 4.769 4.120 -0.001 0.000 0.311 295 V C -1.159 175.059 176.094 0.206 0.000 1.073 295 V CA -1.070 61.318 62.300 0.148 0.000 0.921 295 V CB 2.007 33.882 31.823 0.086 0.000 1.009 295 V HN 0.195 nan 8.190 nan 0.000 0.426 296 V N 3.944 123.926 119.914 0.113 0.000 2.638 296 V HA 0.612 4.731 4.120 -0.001 0.000 0.306 296 V C -0.729 175.386 176.094 0.035 0.000 1.052 296 V CA -0.640 61.643 62.300 -0.028 0.000 0.885 296 V CB 1.868 33.599 31.823 -0.152 0.000 0.999 296 V HN 0.659 nan 8.190 nan 0.000 0.424 297 L N 4.116 125.341 121.223 0.004 0.000 2.325 297 L HA 0.535 4.875 4.340 -0.001 0.000 0.281 297 L C -1.271 175.601 176.870 0.003 0.000 1.004 297 L CA -0.630 54.257 54.840 0.078 0.000 0.823 297 L CB 1.837 43.951 42.059 0.092 0.000 1.236 297 L HN 0.610 nan 8.230 nan 0.000 0.415 298 Y N 1.725 121.985 120.300 -0.066 0.000 2.627 298 Y HA 0.132 4.681 4.550 -0.001 0.000 0.347 298 Y C 1.094 176.977 175.900 -0.029 0.000 1.099 298 Y CA -0.605 57.457 58.100 -0.063 0.000 1.408 298 Y CB 0.449 38.873 38.460 -0.061 0.000 1.247 298 Y HN 0.519 nan 8.280 nan 0.000 0.506 299 S N 2.904 118.638 115.700 0.058 0.000 2.584 299 S HA 0.637 5.106 4.470 -0.001 0.000 0.273 299 S C -0.267 174.366 174.600 0.055 0.000 1.311 299 S CA -0.682 57.552 58.200 0.058 0.000 1.034 299 S CB 1.536 64.761 63.200 0.041 0.000 0.939 299 S HN 0.724 nan 8.310 nan 0.000 0.513 300 E N 0.641 120.873 120.200 0.054 0.000 2.429 300 E HA 0.377 4.726 4.350 -0.001 0.000 0.280 300 E C -2.025 174.597 176.600 0.038 0.000 1.068 300 E CA -0.977 55.449 56.400 0.044 0.000 0.837 300 E CB 0.830 30.560 29.700 0.050 0.000 1.357 300 E HN 0.521 nan 8.360 nan 0.000 0.455 301 D N 0.688 121.105 120.400 0.028 0.000 2.198 301 D HA 0.523 5.163 4.640 -0.001 0.000 0.247 301 D C -0.445 175.859 176.300 0.008 0.000 1.010 301 D CA -0.311 53.702 54.000 0.022 0.000 0.880 301 D CB 2.271 43.083 40.800 0.020 0.000 1.209 301 D HN 0.434 nan 8.370 nan 0.000 0.451 302 V N -0.713 119.198 119.914 -0.004 0.000 3.078 302 V HA 0.477 4.597 4.120 -0.001 0.000 0.311 302 V C -0.201 175.867 176.094 -0.043 0.000 1.138 302 V CA -1.086 61.195 62.300 -0.032 0.000 1.007 302 V CB 2.091 33.883 31.823 -0.052 0.000 1.045 302 V HN 0.343 nan 8.190 nan 0.000 0.432 303 N N 2.611 121.270 118.700 -0.069 0.000 3.103 303 N HA 0.167 4.906 4.740 -0.001 0.000 0.305 303 N C -0.048 175.407 175.510 -0.091 0.000 1.232 303 N CA -0.018 52.993 53.050 -0.064 0.000 1.190 303 N CB 0.399 38.847 38.487 -0.065 0.000 1.461 303 N HN 0.859 nan 8.380 nan 0.000 0.538 304 M N 1.520 121.083 119.600 -0.062 0.000 2.290 304 M HA -0.040 4.439 4.480 -0.001 0.000 0.356 304 M C -0.011 176.273 176.300 -0.026 0.000 1.448 304 M CA 0.865 56.132 55.300 -0.055 0.000 0.993 304 M CB 0.107 32.696 32.600 -0.018 0.000 1.934 304 M HN 0.285 nan 8.290 nan 0.000 0.461 305 E N 1.949 122.136 120.200 -0.021 0.000 2.429 305 E HA 0.617 4.967 4.350 -0.001 0.000 0.276 305 E C -1.037 175.591 176.600 0.047 0.000 0.953 305 E CA -0.646 55.779 56.400 0.041 0.000 0.787 305 E CB 2.070 31.841 29.700 0.120 0.000 1.307 305 E HN 0.628 nan 8.360 nan 0.000 0.458 306 T N -1.682 112.912 114.554 0.067 0.000 3.631 306 T HA 0.228 4.577 4.350 -0.001 0.000 0.256 306 T C -2.096 172.666 174.700 0.104 0.000 1.187 306 T CA -1.066 61.085 62.100 0.084 0.000 1.667 306 T CB 0.620 69.536 68.868 0.081 0.000 0.804 306 T HN 0.202 nan 8.240 nan 0.000 0.639 307 P HA -0.049 nan 4.420 nan 0.000 0.218 307 P C 0.415 177.778 177.300 0.104 0.000 1.149 307 P CA 1.369 64.535 63.100 0.111 0.000 0.817 307 P CB 0.110 31.879 31.700 0.115 0.000 0.785 308 D N -1.107 119.379 120.400 0.144 0.000 2.501 308 D HA 0.076 4.715 4.640 -0.001 0.000 0.224 308 D C 0.217 176.576 176.300 0.099 0.000 1.202 308 D CA -0.277 53.771 54.000 0.081 0.000 0.829 308 D CB -0.369 40.481 40.800 0.083 0.000 1.023 308 D HN 0.169 nan 8.370 nan 0.000 0.499 309 T N -2.706 111.929 114.554 0.134 0.000 2.883 309 T HA 0.599 4.949 4.350 -0.001 0.000 0.296 309 T C -0.648 174.173 174.700 0.201 0.000 1.117 309 T CA -0.902 61.294 62.100 0.159 0.000 1.006 309 T CB 2.467 71.409 68.868 0.124 0.000 1.191 309 T HN 0.313 nan 8.240 nan 0.000 0.508 310 H N -0.013 119.089 119.070 0.052 0.000 2.946 310 H HA 0.567 5.122 4.556 -0.001 0.000 0.365 310 H C -1.269 174.077 175.328 0.031 0.000 1.197 310 H CA -1.313 54.749 56.048 0.024 0.000 1.131 310 H CB 0.856 30.606 29.762 -0.019 0.000 1.849 310 H HN 0.642 nan 8.280 nan 0.000 0.555 311 L N 1.811 123.048 121.223 0.025 0.000 2.367 311 L HA 0.095 4.434 4.340 -0.001 0.000 0.275 311 L C 1.330 178.162 176.870 -0.064 0.000 1.129 311 L CA -0.026 54.795 54.840 -0.031 0.000 0.839 311 L CB 1.290 43.348 42.059 -0.002 0.000 1.133 311 L HN 0.811 nan 8.230 nan 0.000 0.453 312 S N 2.108 117.764 115.700 -0.074 0.000 2.517 312 S HA 0.067 4.536 4.470 -0.001 0.000 0.214 312 S C -0.146 174.508 174.600 0.091 0.000 0.991 312 S CA -0.139 58.037 58.200 -0.041 0.000 0.906 312 S CB 0.124 63.271 63.200 -0.088 0.000 0.789 312 S HN 0.587 nan 8.310 nan 0.000 0.513 313 Y N 0.491 120.757 120.300 -0.056 0.000 2.376 313 Y HA 0.494 5.043 4.550 -0.001 0.000 0.321 313 Y C -1.048 174.830 175.900 -0.037 0.000 1.189 313 Y CA -0.569 57.508 58.100 -0.039 0.000 1.069 313 Y CB 0.394 38.827 38.460 -0.045 0.000 1.292 313 Y HN 0.111 nan 8.280 nan 0.000 0.430 314 K N 6.090 126.063 120.400 -0.711 0.000 2.463 314 K HA 0.597 4.917 4.320 -0.001 0.000 0.255 314 K C -2.853 173.261 176.600 -0.809 0.000 0.942 314 K CA -1.816 54.115 56.287 -0.593 0.000 0.814 314 K CB 1.195 33.530 32.500 -0.274 0.000 1.122 314 K HN 0.448 nan 8.250 nan 0.000 0.425 315 P HA -0.179 nan 4.420 nan 0.000 0.217 315 P C 0.810 177.961 177.300 -0.250 0.000 1.162 315 P CA 2.178 65.034 63.100 -0.407 0.000 0.901 315 P CB 0.384 31.966 31.700 -0.196 0.000 0.793 316 G N -4.221 104.458 108.800 -0.202 0.000 2.846 316 G HA2 0.580 4.540 3.960 -0.001 0.000 0.299 316 G HA3 0.580 4.540 3.960 -0.001 0.000 0.299 316 G C -1.280 173.556 174.900 -0.107 0.000 1.242 316 G CA -0.102 44.921 45.100 -0.128 0.000 0.800 316 G HN 0.179 nan 8.290 nan 0.000 0.538 317 K N -1.016 119.340 120.400 -0.072 0.000 2.118 317 K HA 0.800 5.119 4.320 -0.001 0.000 0.264 317 K C 0.707 177.278 176.600 -0.048 0.000 1.000 317 K CA 0.420 56.674 56.287 -0.055 0.000 0.929 317 K CB 0.644 33.121 32.500 -0.038 0.000 1.021 317 K HN 2.691 nan 8.250 nan 0.000 0.463 318 G N -0.837 107.940 108.800 -0.038 0.000 2.981 318 G HA2 0.319 4.278 3.960 -0.001 0.000 0.686 318 G HA3 0.319 4.278 3.960 -0.001 0.000 0.686 318 G C 0.008 174.886 174.900 -0.036 0.000 1.068 318 G CA 0.392 45.475 45.100 -0.029 0.000 0.806 318 G HN 1.585 nan 8.290 nan 0.000 0.568 319 D N 0.711 121.096 120.400 -0.025 0.000 3.057 319 D HA 0.719 5.359 4.640 -0.001 0.000 0.246 319 D C 0.691 176.981 176.300 -0.016 0.000 1.238 319 D CA 1.385 55.370 54.000 -0.025 0.000 0.949 319 D CB -0.153 40.639 40.800 -0.015 0.000 1.086 319 D HN 1.431 nan 8.370 nan 0.000 0.487 320 E N 0.810 120.997 120.200 -0.021 0.000 2.197 320 E HA 0.490 4.839 4.350 -0.001 0.000 0.281 320 E C 0.021 176.610 176.600 -0.018 0.000 0.995 320 E CA -0.871 55.526 56.400 -0.005 0.000 0.808 320 E CB 0.400 30.100 29.700 0.001 0.000 1.093 320 E HN 0.427 nan 8.360 nan 0.000 0.394 321 N N 1.239 119.947 118.700 0.014 0.000 2.412 321 N HA 0.310 5.049 4.740 -0.001 0.000 0.254 321 N C -0.172 175.309 175.510 -0.049 0.000 1.232 321 N CA 0.851 53.904 53.050 0.005 0.000 0.880 321 N CB 0.914 39.472 38.487 0.119 0.000 1.076 321 N HN 0.785 nan 8.380 nan 0.000 0.458 322 S N -0.901 114.616 115.700 -0.305 0.000 2.661 322 S HA 0.609 5.079 4.470 -0.001 0.000 0.268 322 S C 0.788 174.711 174.600 -1.128 0.000 1.162 322 S CA -0.290 57.576 58.200 -0.558 0.000 0.817 322 S CB 0.806 63.848 63.200 -0.263 0.000 1.141 322 S HN 0.431 nan 8.310 nan 0.000 0.477 323 K N 0.077 119.822 120.400 -1.092 0.000 2.148 323 K HA 0.393 4.712 4.320 -0.001 0.000 0.204 323 K C 2.365 178.635 176.600 -0.551 0.000 1.050 323 K CA 1.912 57.615 56.287 -0.974 0.000 0.942 323 K CB -1.532 30.759 32.500 -0.348 0.000 0.724 323 K HN 1.208 nan 8.250 nan 0.000 0.446 324 A N 0.674 123.276 122.820 -0.364 0.000 1.933 324 A HA -0.044 4.275 4.320 -0.001 0.000 0.218 324 A C 2.306 179.761 177.584 -0.215 0.000 1.175 324 A CA 1.699 53.604 52.037 -0.220 0.000 0.628 324 A CB -0.304 18.606 19.000 -0.150 0.000 0.814 324 A HN 0.457 nan 8.150 nan 0.000 0.444 325 M N -0.260 119.174 119.600 -0.277 0.000 2.629 325 M HA -0.004 4.475 4.480 -0.001 0.000 0.257 325 M C 1.658 177.838 176.300 -0.201 0.000 1.071 325 M CA 0.786 55.957 55.300 -0.215 0.000 1.077 325 M CB -1.221 31.251 32.600 -0.213 0.000 1.423 325 M HN 0.400 nan 8.290 nan 0.000 0.508 326 L N -0.982 120.068 121.223 -0.288 0.000 2.275 326 L HA -0.069 4.270 4.340 -0.001 0.000 0.215 326 L C 2.115 178.901 176.870 -0.139 0.000 1.119 326 L CA 0.784 55.472 54.840 -0.253 0.000 0.790 326 L CB -0.658 41.155 42.059 -0.410 0.000 0.919 326 L HN 0.358 nan 8.230 nan 0.000 0.443 327 G N -1.246 107.502 108.800 -0.086 0.000 3.189 327 G HA2 0.067 4.027 3.960 -0.001 0.000 0.225 327 G HA3 0.067 4.027 3.960 -0.001 0.000 0.225 327 G C 0.436 175.416 174.900 0.133 0.000 1.159 327 G CA -0.409 44.696 45.100 0.008 0.000 0.763 327 G HN 0.279 nan 8.290 nan 0.000 0.549 328 Q N 0.304 120.155 119.800 0.085 0.000 2.386 328 Q HA 0.193 4.532 4.340 -0.001 0.000 0.282 328 Q C -0.349 175.728 176.000 0.128 0.000 1.050 328 Q CA 0.681 56.554 55.803 0.116 0.000 0.918 328 Q CB 0.555 29.299 28.738 0.010 0.000 1.266 328 Q HN 0.356 nan 8.270 nan 0.000 0.423 329 Q N 0.741 120.637 119.800 0.160 0.000 2.333 329 Q HA 0.413 4.752 4.340 -0.001 0.000 0.267 329 Q C -1.065 174.949 176.000 0.024 0.000 1.012 329 Q CA -0.394 55.449 55.803 0.067 0.000 0.824 329 Q CB 2.341 31.107 28.738 0.045 0.000 1.290 329 Q HN 0.494 nan 8.270 nan 0.000 0.449 330 S N 2.538 118.246 115.700 0.014 0.000 2.608 330 S HA 0.763 5.233 4.470 -0.001 0.000 0.291 330 S C -0.873 173.700 174.600 -0.044 0.000 1.146 330 S CA -0.572 57.653 58.200 0.041 0.000 1.043 330 S CB 0.811 64.149 63.200 0.230 0.000 1.037 330 S HN 0.665 nan 8.310 nan 0.000 0.520 331 M N 4.710 124.249 119.600 -0.102 0.000 2.378 331 M HA 0.520 4.999 4.480 -0.001 0.000 0.289 331 M C -2.766 173.501 176.300 -0.056 0.000 1.136 331 M CA -2.109 53.094 55.300 -0.161 0.000 0.917 331 M CB 2.504 34.876 32.600 -0.379 0.000 1.669 331 M HN 0.414 nan 8.290 nan 0.000 0.461 332 P HA 0.110 nan 4.420 nan 0.000 0.271 332 P C -1.266 176.114 177.300 0.133 0.000 1.216 332 P CA -0.098 63.096 63.100 0.156 0.000 0.776 332 P CB 0.369 32.177 31.700 0.180 0.000 0.881 333 N N 2.332 121.122 118.700 0.150 0.000 2.444 333 N HA 0.121 4.860 4.740 -0.001 0.000 0.255 333 N C 0.591 176.087 175.510 -0.024 0.000 1.255 333 N CA -0.119 53.010 53.050 0.131 0.000 0.933 333 N CB 0.183 38.739 38.487 0.115 0.000 1.143 333 N HN 0.288 nan 8.380 nan 0.000 0.453 334 R N 1.460 121.904 120.500 -0.094 0.000 2.590 334 R HA 0.159 4.498 4.340 -0.001 0.000 0.274 334 R C -1.910 174.288 176.300 -0.169 0.000 1.061 334 R CA -0.989 55.002 56.100 -0.181 0.000 1.081 334 R CB -0.090 30.041 30.300 -0.282 0.000 0.984 334 R HN 0.438 nan 8.270 nan 0.000 0.448 335 P HA 0.011 nan 4.420 nan 0.000 0.272 335 P C -0.936 176.181 177.300 -0.305 0.000 1.223 335 P CA -0.144 62.710 63.100 -0.411 0.000 0.784 335 P CB 0.646 32.081 31.700 -0.442 0.000 0.923 336 N N 1.679 120.108 118.700 -0.452 0.000 2.701 336 N HA 0.202 4.941 4.740 -0.001 0.000 0.258 336 N C -1.693 173.680 175.510 -0.229 0.000 1.262 336 N CA -0.402 52.505 53.050 -0.238 0.000 0.780 336 N CB 0.032 38.416 38.487 -0.171 0.000 1.380 336 N HN 0.143 nan 8.380 nan 0.000 0.548 337 Y N 2.497 122.837 120.300 0.066 0.000 2.359 337 Y HA 0.440 4.989 4.550 -0.001 0.000 0.330 337 Y C 0.654 176.662 175.900 0.179 0.000 1.143 337 Y CA -0.043 58.165 58.100 0.179 0.000 1.318 337 Y CB 0.831 39.377 38.460 0.143 0.000 1.234 337 Y HN 0.295 nan 8.280 nan 0.000 0.522 338 I N 2.990 123.791 120.570 0.385 0.000 2.499 338 I HA 0.763 4.932 4.170 -0.001 0.000 0.288 338 I C -0.391 175.649 176.117 -0.129 0.000 1.048 338 I CA -0.629 60.695 61.300 0.040 0.000 1.062 338 I CB 1.679 39.623 38.000 -0.093 0.000 1.238 338 I HN 0.733 nan 8.210 nan 0.000 0.426 339 A N 4.794 127.522 122.820 -0.153 0.000 2.493 339 A HA 0.744 5.064 4.320 -0.001 0.000 0.300 339 A C -1.561 175.887 177.584 -0.227 0.000 1.152 339 A CA -0.546 51.360 52.037 -0.220 0.000 0.643 339 A CB 0.710 19.666 19.000 -0.073 0.000 1.316 339 A HN 0.388 nan 8.150 nan 0.000 0.469 340 F N 1.239 121.153 119.950 -0.061 0.000 2.406 340 F HA 0.496 5.022 4.527 -0.001 0.000 0.327 340 F C 1.524 177.294 175.800 -0.049 0.000 1.153 340 F CA 0.427 58.421 58.000 -0.010 0.000 1.218 340 F CB 0.686 39.750 39.000 0.107 0.000 1.215 340 F HN 0.516 nan 8.300 nan 0.000 0.570 341 R N 0.315 120.937 120.500 0.204 0.000 2.649 341 R HA 0.120 4.459 4.340 -0.001 0.000 0.270 341 R C -0.747 175.536 176.300 -0.029 0.000 1.105 341 R CA -0.847 55.300 56.100 0.077 0.000 1.193 341 R CB 0.205 30.568 30.300 0.106 0.000 1.120 341 R HN 0.511 nan 8.270 nan 0.000 0.561 342 D N 1.306 121.687 120.400 -0.031 0.000 2.487 342 D HA -0.091 4.548 4.640 -0.001 0.000 0.243 342 D C -0.160 176.115 176.300 -0.042 0.000 1.154 342 D CA 0.679 54.644 54.000 -0.058 0.000 0.876 342 D CB 0.235 41.026 40.800 -0.015 0.000 1.161 342 D HN 0.452 nan 8.370 nan 0.000 0.478 343 N N 3.409 122.053 118.700 -0.094 0.000 2.725 343 N HA -0.263 4.476 4.740 -0.001 0.000 0.249 343 N C -0.186 175.361 175.510 0.062 0.000 1.103 343 N CA 0.814 53.869 53.050 0.007 0.000 0.707 343 N CB -1.380 37.208 38.487 0.168 0.000 1.043 343 N HN 0.535 nan 8.380 nan 0.000 0.553 344 F N -1.894 118.101 119.950 0.076 0.000 3.067 344 F HA -0.255 4.271 4.527 -0.001 0.000 0.279 344 F C 0.965 176.805 175.800 0.066 0.000 0.945 344 F CA 0.196 58.225 58.000 0.047 0.000 0.948 344 F CB -1.985 37.013 39.000 -0.003 0.000 0.898 344 F HN 0.202 nan 8.300 nan 0.000 0.746 345 I N 0.276 120.965 120.570 0.198 0.000 2.648 345 I HA 0.274 4.443 4.170 -0.001 0.000 0.284 345 I C 1.571 177.794 176.117 0.176 0.000 1.153 345 I CA 1.328 62.729 61.300 0.167 0.000 1.426 345 I CB 0.385 38.455 38.000 0.115 0.000 1.381 345 I HN 0.546 nan 8.210 nan 0.000 0.571 346 G N 4.409 113.299 108.800 0.150 0.000 2.336 346 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.233 346 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.233 346 G C 0.904 175.835 174.900 0.052 0.000 1.053 346 G CA 0.292 45.450 45.100 0.096 0.000 0.625 346 G HN 0.552 nan 8.290 nan 0.000 0.511 347 L N 0.147 121.442 121.223 0.121 0.000 2.012 347 L HA 0.139 4.479 4.340 -0.001 0.000 0.210 347 L C 1.729 178.583 176.870 -0.028 0.000 1.073 347 L CA 1.434 56.342 54.840 0.113 0.000 0.748 347 L CB -0.207 41.927 42.059 0.125 0.000 0.891 347 L HN 0.411 nan 8.230 nan 0.000 0.431 348 M N -1.755 117.751 119.600 -0.157 0.000 2.336 348 M HA 0.236 4.715 4.480 -0.001 0.000 0.342 348 M C -1.099 174.947 176.300 -0.423 0.000 1.128 348 M CA -0.582 54.460 55.300 -0.430 0.000 1.016 348 M CB 1.626 33.816 32.600 -0.683 0.000 1.665 348 M HN -0.194 nan 8.290 nan 0.000 0.445 349 Y N 2.268 122.395 120.300 -0.288 0.000 2.526 349 Y HA 0.140 4.690 4.550 -0.001 0.000 0.330 349 Y C -0.810 174.953 175.900 -0.229 0.000 1.156 349 Y CA 0.873 58.860 58.100 -0.188 0.000 1.419 349 Y CB 0.185 38.524 38.460 -0.202 0.000 1.250 349 Y HN 0.386 nan 8.280 nan 0.000 0.540 350 Y N 0.405 120.857 120.300 0.253 0.000 2.524 350 Y HA 0.225 4.775 4.550 -0.001 0.000 0.347 350 Y C 0.222 176.230 175.900 0.180 0.000 1.005 350 Y CA -2.444 55.794 58.100 0.231 0.000 1.025 350 Y CB 1.526 40.140 38.460 0.256 0.000 1.275 350 Y HN 0.689 nan 8.280 nan 0.000 0.460 351 N N -0.326 118.583 118.700 0.348 0.000 2.693 351 N HA -0.223 4.516 4.740 -0.001 0.000 0.249 351 N C -0.627 174.977 175.510 0.157 0.000 1.119 351 N CA 0.950 54.149 53.050 0.248 0.000 0.717 351 N CB -0.659 37.995 38.487 0.278 0.000 1.071 351 N HN 0.329 nan 8.380 nan 0.000 0.555 352 S N -0.848 114.914 115.700 0.104 0.000 2.669 352 S HA 0.356 4.825 4.470 -0.001 0.000 0.315 352 S C 1.236 175.805 174.600 -0.052 0.000 1.106 352 S CA -0.554 57.676 58.200 0.051 0.000 1.107 352 S CB 0.956 64.229 63.200 0.121 0.000 0.990 352 S HN 0.210 nan 8.310 nan 0.000 0.471 353 T N 4.049 118.574 114.554 -0.047 0.000 2.699 353 T HA -0.107 4.243 4.350 -0.001 0.000 0.268 353 T C 1.942 176.567 174.700 -0.125 0.000 1.036 353 T CA 1.834 63.885 62.100 -0.082 0.000 1.147 353 T CB -0.672 68.165 68.868 -0.051 0.000 0.862 353 T HN 0.767 nan 8.240 nan 0.000 0.446 354 G N 1.301 110.028 108.800 -0.121 0.000 2.598 354 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.215 354 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.215 354 G C 0.823 175.578 174.900 -0.241 0.000 1.131 354 G CA 0.139 45.151 45.100 -0.147 0.000 0.785 354 G HN 0.468 nan 8.290 nan 0.000 0.539 355 N N 0.057 118.562 118.700 -0.324 0.000 2.642 355 N HA 0.193 4.932 4.740 -0.001 0.000 0.308 355 N C -0.548 174.679 175.510 -0.471 0.000 1.914 355 N CA -0.196 52.554 53.050 -0.500 0.000 0.893 355 N CB 0.886 38.781 38.487 -0.988 0.000 1.322 355 N HN 0.215 nan 8.380 nan 0.000 0.490 356 M N 0.635 119.990 119.600 -0.410 0.000 2.242 356 M HA 0.285 4.764 4.480 -0.001 0.000 0.344 356 M C 0.875 176.728 176.300 -0.745 0.000 1.140 356 M CA -0.103 54.898 55.300 -0.498 0.000 1.160 356 M CB 0.800 33.192 32.600 -0.346 0.000 1.491 356 M HN 0.207 nan 8.290 nan 0.000 0.459 357 G N 2.189 110.273 108.800 -1.194 0.000 2.537 357 G HA2 0.526 4.486 3.960 -0.001 0.000 0.273 357 G HA3 0.526 4.486 3.960 -0.001 0.000 0.273 357 G C -1.347 173.138 174.900 -0.691 0.000 1.189 357 G CA -0.608 43.483 45.100 -1.682 0.000 0.881 357 G HN 0.614 nan 8.290 nan 0.000 0.535 358 V N 0.915 120.656 119.914 -0.288 0.000 2.638 358 V HA 0.520 4.640 4.120 -0.001 0.000 0.306 358 V C -0.931 175.326 176.094 0.272 0.000 1.052 358 V CA -0.646 61.651 62.300 -0.004 0.000 0.885 358 V CB 1.669 33.485 31.823 -0.012 0.000 0.999 358 V HN 0.647 nan 8.190 nan 0.000 0.424 359 L N 4.890 126.260 121.223 0.245 0.000 2.518 359 L HA 0.932 5.271 4.340 -0.001 0.000 0.262 359 L C -0.375 176.607 176.870 0.187 0.000 0.982 359 L CA -0.120 54.882 54.840 0.271 0.000 0.873 359 L CB 1.192 43.385 42.059 0.223 0.000 1.198 359 L HN 0.826 nan 8.230 nan 0.000 0.427 360 A N 2.925 125.874 122.820 0.214 0.000 2.515 360 A HA 0.855 5.175 4.320 -0.001 0.000 0.298 360 A C -0.128 177.629 177.584 0.288 0.000 1.059 360 A CA -0.194 51.966 52.037 0.205 0.000 0.698 360 A CB 1.345 20.427 19.000 0.137 0.000 1.289 360 A HN 0.880 nan 8.150 nan 0.000 0.404 361 G N -0.336 108.637 108.800 0.289 0.000 2.406 361 G HA2 0.491 4.450 3.960 -0.001 0.000 0.251 361 G HA3 0.491 4.450 3.960 -0.001 0.000 0.251 361 G C 0.794 175.720 174.900 0.044 0.000 1.271 361 G CA 0.653 45.871 45.100 0.197 0.000 0.859 361 G HN 1.418 nan 8.290 nan 0.000 0.540 362 Q N 0.753 120.515 119.800 -0.063 0.000 2.443 362 Q HA 0.132 4.471 4.340 -0.001 0.000 0.213 362 Q C 2.330 178.315 176.000 -0.026 0.000 0.982 362 Q CA 2.370 58.152 55.803 -0.035 0.000 0.894 362 Q CB -0.222 28.476 28.738 -0.067 0.000 0.947 362 Q HN 1.114 nan 8.270 nan 0.000 0.480 363 A N -1.098 121.704 122.820 -0.030 0.000 2.055 363 A HA 0.529 4.848 4.320 -0.001 0.000 0.205 363 A C 2.556 180.150 177.584 0.017 0.000 1.235 363 A CA 1.378 53.407 52.037 -0.013 0.000 0.822 363 A CB -0.182 18.802 19.000 -0.026 0.000 0.903 363 A HN 0.829 nan 8.150 nan 0.000 0.473 364 S N -1.940 113.786 115.700 0.043 0.000 2.470 364 S HA 0.271 4.740 4.470 -0.001 0.000 0.225 364 S C 1.720 176.356 174.600 0.060 0.000 1.006 364 S CA 2.245 60.484 58.200 0.065 0.000 0.934 364 S CB -0.283 62.977 63.200 0.100 0.000 0.778 364 S HN 1.640 nan 8.310 nan 0.000 0.517 365 Q N -0.856 118.977 119.800 0.055 0.000 2.231 365 Q HA -0.214 4.126 4.340 -0.001 0.000 0.162 365 Q C 0.802 176.835 176.000 0.056 0.000 2.377 365 Q CA 1.593 57.424 55.803 0.047 0.000 0.925 365 Q CB -2.440 26.317 28.738 0.031 0.000 0.899 365 Q HN 0.600 nan 8.270 nan 0.000 0.759 366 L N 1.999 123.261 121.223 0.065 0.000 2.485 366 L HA 0.349 4.688 4.340 -0.001 0.000 0.275 366 L C 0.671 177.591 176.870 0.083 0.000 1.207 366 L CA 0.362 55.243 54.840 0.069 0.000 0.855 366 L CB 0.524 42.631 42.059 0.081 0.000 1.114 366 L HN 0.732 nan 8.230 nan 0.000 0.485 367 N N 1.769 120.509 118.700 0.067 0.000 2.458 367 N HA 0.198 4.937 4.740 -0.001 0.000 0.270 367 N C 0.522 176.099 175.510 0.111 0.000 1.102 367 N CA 0.172 53.266 53.050 0.073 0.000 0.967 367 N CB 1.552 40.051 38.487 0.020 0.000 1.078 367 N HN 0.649 nan 8.380 nan 0.000 0.471 368 A N 3.335 126.242 122.820 0.146 0.000 2.119 368 A HA 0.101 4.420 4.320 -0.001 0.000 0.216 368 A C 0.441 178.201 177.584 0.293 0.000 1.152 368 A CA 0.296 52.457 52.037 0.206 0.000 0.708 368 A CB 0.103 19.197 19.000 0.156 0.000 0.805 368 A HN 0.439 nan 8.150 nan 0.000 0.460 369 V N 1.330 121.360 119.914 0.194 0.000 2.385 369 V HA 0.328 4.447 4.120 -0.001 0.000 0.269 369 V C -0.612 175.481 176.094 -0.003 0.000 1.043 369 V CA -0.181 62.218 62.300 0.166 0.000 0.906 369 V CB 1.134 32.955 31.823 -0.004 0.000 0.995 369 V HN 0.098 nan 8.190 nan 0.000 0.467 370 V N 4.611 124.481 119.914 -0.073 0.000 2.409 370 V HA 0.466 4.585 4.120 -0.001 0.000 0.290 370 V C -0.380 175.636 176.094 -0.130 0.000 1.017 370 V CA -0.505 61.608 62.300 -0.312 0.000 0.841 370 V CB 1.638 33.009 31.823 -0.755 0.000 1.003 370 V HN 0.810 nan 8.190 nan 0.000 0.426 371 D N 3.355 123.723 120.400 -0.052 0.000 2.449 371 D HA 0.799 5.438 4.640 -0.001 0.000 0.250 371 D C -0.911 175.446 176.300 0.095 0.000 1.050 371 D CA -0.315 53.760 54.000 0.126 0.000 1.024 371 D CB 2.156 42.958 40.800 0.004 0.000 1.218 371 D HN 0.358 nan 8.370 nan 0.000 0.566 372 L N 0.521 121.845 121.223 0.169 0.000 2.445 372 L HA 0.399 4.738 4.340 -0.001 0.000 0.262 372 L C 1.247 178.197 176.870 0.134 0.000 0.974 372 L CA -0.717 54.196 54.840 0.122 0.000 0.822 372 L CB 1.675 43.813 42.059 0.132 0.000 1.339 372 L HN 0.443 nan 8.230 nan 0.000 0.409 373 Q N 0.042 119.898 119.800 0.093 0.000 2.437 373 Q HA -0.160 4.180 4.340 -0.001 0.000 0.210 373 Q C 1.219 177.286 176.000 0.113 0.000 0.972 373 Q CA 1.874 57.734 55.803 0.095 0.000 0.903 373 Q CB -0.427 28.342 28.738 0.052 0.000 0.967 373 Q HN 0.775 nan 8.270 nan 0.000 0.486 374 D N -0.790 119.677 120.400 0.112 0.000 2.277 374 D HA 0.017 4.656 4.640 -0.001 0.000 0.208 374 D C 0.809 177.194 176.300 0.141 0.000 0.962 374 D CA 0.238 54.306 54.000 0.113 0.000 0.865 374 D CB 0.119 40.975 40.800 0.093 0.000 0.939 374 D HN 0.547 nan 8.370 nan 0.000 0.510 375 R N 0.194 120.792 120.500 0.163 0.000 2.500 375 R HA 0.288 4.627 4.340 -0.001 0.000 0.277 375 R C -0.789 175.613 176.300 0.171 0.000 1.026 375 R CA -0.535 55.660 56.100 0.159 0.000 1.058 375 R CB 0.643 31.068 30.300 0.207 0.000 1.078 375 R HN -0.164 nan 8.270 nan 0.000 0.509 376 N N 1.413 120.175 118.700 0.104 0.000 2.746 376 N HA 0.127 4.867 4.740 -0.001 0.000 0.250 376 N C -0.433 175.087 175.510 0.016 0.000 1.146 376 N CA -0.195 52.882 53.050 0.044 0.000 0.828 376 N CB 1.516 39.948 38.487 -0.093 0.000 1.158 376 N HN 0.567 nan 8.380 nan 0.000 0.519 377 T N 0.986 115.571 114.554 0.053 0.000 2.904 377 T HA -0.037 4.312 4.350 -0.001 0.000 0.267 377 T C 1.362 175.993 174.700 -0.115 0.000 1.059 377 T CA 0.994 63.069 62.100 -0.042 0.000 1.137 377 T CB 0.309 69.103 68.868 -0.122 0.000 0.879 377 T HN 0.437 nan 8.240 nan 0.000 0.467 378 E N 0.987 121.142 120.200 -0.074 0.000 2.028 378 E HA -0.039 4.310 4.350 -0.001 0.000 0.191 378 E C 2.243 178.833 176.600 -0.016 0.000 0.988 378 E CA 0.729 57.110 56.400 -0.031 0.000 0.799 378 E CB -0.506 29.217 29.700 0.038 0.000 0.755 378 E HN 0.290 nan 8.360 nan 0.000 0.447 379 L N 1.286 122.466 121.223 -0.072 0.000 2.083 379 L HA -0.121 4.219 4.340 -0.001 0.000 0.209 379 L C 2.467 179.301 176.870 -0.060 0.000 1.083 379 L CA 1.657 56.440 54.840 -0.095 0.000 0.752 379 L CB -0.714 41.279 42.059 -0.111 0.000 0.899 379 L HN -0.011 nan 8.230 nan 0.000 0.433 380 S N -1.765 113.922 115.700 -0.022 0.000 2.370 380 S HA -0.290 4.180 4.470 -0.001 0.000 0.226 380 S C 2.087 176.693 174.600 0.011 0.000 1.033 380 S CA 1.531 59.744 58.200 0.022 0.000 1.011 380 S CB -0.603 62.605 63.200 0.013 0.000 0.852 380 S HN 0.635 nan 8.310 nan 0.000 0.457 381 Y N 1.977 122.203 120.300 -0.123 0.000 2.200 381 Y HA -0.078 4.471 4.550 -0.001 0.000 0.290 381 Y C 2.605 178.411 175.900 -0.157 0.000 1.137 381 Y CA 1.956 59.969 58.100 -0.144 0.000 1.163 381 Y CB -0.526 37.850 38.460 -0.140 0.000 0.988 381 Y HN 0.261 nan 8.280 nan 0.000 0.518 382 Q N 0.206 119.972 119.800 -0.057 0.000 2.077 382 Q HA -0.211 4.128 4.340 -0.001 0.000 0.206 382 Q C 2.377 178.239 176.000 -0.231 0.000 0.989 382 Q CA 2.051 57.770 55.803 -0.140 0.000 0.853 382 Q CB -0.713 27.920 28.738 -0.175 0.000 0.907 382 Q HN 0.545 nan 8.270 nan 0.000 0.418 383 L N -0.061 120.997 121.223 -0.276 0.000 2.179 383 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 383 L C 2.369 178.932 176.870 -0.511 0.000 1.096 383 L CA 0.248 54.927 54.840 -0.267 0.000 0.779 383 L CB -0.486 41.513 42.059 -0.100 0.000 0.922 383 L HN 0.184 nan 8.230 nan 0.000 0.443 384 L N 0.292 121.060 121.223 -0.758 0.000 1.994 384 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 384 L C 2.366 178.863 176.870 -0.622 0.000 1.071 384 L CA 1.727 55.914 54.840 -1.087 0.000 0.745 384 L CB -0.531 41.107 42.059 -0.701 0.000 0.892 384 L HN 0.078 nan 8.230 nan 0.000 0.431 385 L N -0.334 120.572 121.223 -0.527 0.000 2.013 385 L HA -0.279 4.060 4.340 -0.001 0.000 0.212 385 L C 2.246 179.002 176.870 -0.191 0.000 1.073 385 L CA 1.971 56.588 54.840 -0.371 0.000 0.753 385 L CB -0.640 41.194 42.059 -0.376 0.000 0.890 385 L HN 0.429 nan 8.230 nan 0.000 0.432 386 D N -0.980 119.353 120.400 -0.112 0.000 2.312 386 D HA -0.130 4.510 4.640 -0.001 0.000 0.211 386 D C 2.148 178.430 176.300 -0.030 0.000 0.964 386 D CA 1.023 55.022 54.000 -0.003 0.000 0.877 386 D CB 0.224 41.138 40.800 0.189 0.000 0.924 386 D HN 0.313 nan 8.370 nan 0.000 0.515 387 S N -0.344 115.289 115.700 -0.112 0.000 2.470 387 S HA -0.068 4.401 4.470 -0.001 0.000 0.225 387 S C 1.914 176.486 174.600 -0.046 0.000 1.006 387 S CA 0.461 58.627 58.200 -0.057 0.000 0.934 387 S CB -0.551 62.604 63.200 -0.075 0.000 0.778 387 S HN 0.531 nan 8.310 nan 0.000 0.517 388 I N -2.046 118.471 120.570 -0.088 0.000 4.082 388 I HA 0.621 4.790 4.170 -0.001 0.000 0.337 388 I C 0.667 176.759 176.117 -0.042 0.000 1.352 388 I CA -0.498 60.770 61.300 -0.054 0.000 1.097 388 I CB 0.273 38.233 38.000 -0.066 0.000 1.048 388 I HN 0.296 nan 8.210 nan 0.000 0.393 389 G N 0.801 109.574 108.800 -0.044 0.000 2.645 389 G HA2 0.279 4.238 3.960 -0.001 0.000 0.292 389 G HA3 0.279 4.238 3.960 -0.001 0.000 0.292 389 G C -2.181 172.701 174.900 -0.030 0.000 1.415 389 G CA -0.488 44.593 45.100 -0.033 0.000 0.785 389 G HN 0.107 nan 8.290 nan 0.000 0.483 390 D N -0.310 120.072 120.400 -0.030 0.000 2.411 390 D HA 0.284 4.923 4.640 -0.001 0.000 0.225 390 D C 1.253 177.535 176.300 -0.030 0.000 1.156 390 D CA -0.486 53.491 54.000 -0.037 0.000 0.874 390 D CB 0.679 41.451 40.800 -0.047 0.000 1.034 390 D HN 0.230 nan 8.370 nan 0.000 0.502 391 R N 2.248 122.730 120.500 -0.030 0.000 2.346 391 R HA -0.004 4.336 4.340 -0.001 0.000 0.199 391 R C 1.140 177.442 176.300 0.003 0.000 1.015 391 R CA 0.652 56.751 56.100 -0.002 0.000 1.058 391 R CB -0.229 30.066 30.300 -0.010 0.000 0.921 391 R HN 0.556 nan 8.270 nan 0.000 0.475 392 T N -2.358 112.166 114.554 -0.051 0.000 3.054 392 T HA 0.109 4.458 4.350 -0.001 0.000 0.259 392 T C 1.106 175.678 174.700 -0.212 0.000 1.092 392 T CA 0.067 62.104 62.100 -0.104 0.000 1.121 392 T CB 0.328 69.117 68.868 -0.132 0.000 0.912 392 T HN 0.008 nan 8.240 nan 0.000 0.489 393 R N 1.209 121.628 120.500 -0.135 0.000 2.441 393 R HA 0.405 4.744 4.340 -0.001 0.000 0.284 393 R C -0.951 175.370 176.300 0.035 0.000 1.070 393 R CA -0.444 55.553 56.100 -0.171 0.000 1.047 393 R CB 0.455 30.695 30.300 -0.101 0.000 1.016 393 R HN 0.269 nan 8.270 nan 0.000 0.477 394 Y N 1.555 121.778 120.300 -0.128 0.000 2.419 394 Y HA 0.402 4.951 4.550 -0.001 0.000 0.328 394 Y C -0.041 175.916 175.900 0.094 0.000 1.162 394 Y CA -1.318 56.706 58.100 -0.128 0.000 1.174 394 Y CB 0.834 38.961 38.460 -0.556 0.000 1.228 394 Y HN 0.369 nan 8.280 nan 0.000 0.473 395 F N 1.674 121.713 119.950 0.148 0.000 2.941 395 F HA 0.251 4.777 4.527 -0.001 0.000 0.359 395 F C 0.904 176.758 175.800 0.090 0.000 1.231 395 F CA -1.660 56.396 58.000 0.092 0.000 1.089 395 F CB 1.092 40.132 39.000 0.067 0.000 1.407 395 F HN 0.457 nan 8.300 nan 0.000 0.538 396 S N 4.650 120.436 115.700 0.144 0.000 2.402 396 S HA -0.281 4.188 4.470 -0.001 0.000 0.233 396 S C 2.096 176.460 174.600 -0.393 0.000 1.030 396 S CA 1.540 59.706 58.200 -0.055 0.000 1.003 396 S CB -0.553 62.656 63.200 0.016 0.000 0.813 396 S HN 0.814 nan 8.310 nan 0.000 0.477 397 M N -0.208 118.811 119.600 -0.968 0.000 2.144 397 M HA -0.077 4.402 4.480 -0.001 0.000 0.260 397 M C 0.976 176.802 176.300 -0.789 0.000 1.067 397 M CA 1.811 56.409 55.300 -1.170 0.000 1.095 397 M CB -0.185 31.247 32.600 -1.947 0.000 1.365 397 M HN 0.568 nan 8.290 nan 0.000 0.406 398 W N -0.789 120.227 121.300 -0.473 0.000 3.132 398 W HA 0.270 4.929 4.660 -0.001 0.000 0.364 398 W C 0.444 176.714 176.519 -0.414 0.000 1.129 398 W CA -0.751 56.503 57.345 -0.151 0.000 1.815 398 W CB 0.063 29.479 29.460 -0.073 0.000 1.099 398 W HN 0.296 nan 8.180 nan 0.000 0.605 399 N N 1.641 120.154 118.700 -0.312 0.000 2.754 399 N HA -0.259 4.481 4.740 -0.001 0.000 0.248 399 N C -0.017 175.356 175.510 -0.227 0.000 1.093 399 N CA 0.742 53.500 53.050 -0.486 0.000 0.699 399 N CB -1.037 36.629 38.487 -1.368 0.000 1.016 399 N HN 0.358 nan 8.380 nan 0.000 0.552 400 Q N 0.317 120.102 119.800 -0.024 0.000 2.452 400 Q HA 0.502 4.841 4.340 -0.001 0.000 0.230 400 Q C -0.851 175.165 176.000 0.027 0.000 1.180 400 Q CA 0.277 56.128 55.803 0.081 0.000 0.914 400 Q CB 0.144 29.037 28.738 0.259 0.000 1.408 400 Q HN 0.400 nan 8.270 nan 0.000 0.520 401 A N 4.284 127.044 122.820 -0.100 0.000 2.768 401 A HA 0.229 4.548 4.320 -0.001 0.000 0.298 401 A C -0.820 176.664 177.584 -0.166 0.000 1.159 401 A CA -0.574 51.235 52.037 -0.380 0.000 0.783 401 A CB 0.952 19.499 19.000 -0.754 0.000 1.333 401 A HN 0.541 nan 8.150 nan 0.000 0.412 402 V N 2.632 122.550 119.914 0.006 0.000 2.752 402 V HA -0.020 4.099 4.120 -0.001 0.000 0.306 402 V C 0.191 176.313 176.094 0.046 0.000 1.099 402 V CA 0.587 62.911 62.300 0.040 0.000 1.240 402 V CB 0.272 32.134 31.823 0.064 0.000 0.887 402 V HN 0.788 nan 8.190 nan 0.000 0.499 403 D N 4.566 124.996 120.400 0.049 0.000 2.425 403 D HA 0.340 4.979 4.640 -0.001 0.000 0.247 403 D C 0.112 176.565 176.300 0.255 0.000 1.147 403 D CA 0.609 54.686 54.000 0.129 0.000 0.879 403 D CB 1.266 42.104 40.800 0.064 0.000 1.179 403 D HN 0.849 nan 8.370 nan 0.000 0.456 404 S N 1.249 117.121 115.700 0.287 0.000 2.776 404 S HA 0.737 5.207 4.470 -0.001 0.000 0.292 404 S C -1.193 173.430 174.600 0.038 0.000 1.187 404 S CA -0.921 57.369 58.200 0.149 0.000 0.834 404 S CB 1.781 64.977 63.200 -0.007 0.000 1.199 404 S HN 0.496 nan 8.310 nan 0.000 0.514 405 Y N -1.152 119.063 120.300 -0.143 0.000 2.597 405 Y HA 0.715 5.264 4.550 -0.001 0.000 0.340 405 Y C -1.264 174.500 175.900 -0.227 0.000 1.097 405 Y CA -1.349 56.576 58.100 -0.293 0.000 1.037 405 Y CB 0.295 38.420 38.460 -0.558 0.000 1.305 405 Y HN 0.664 nan 8.280 nan 0.000 0.463 406 D N 4.425 124.843 120.400 0.031 0.000 2.358 406 D HA 0.157 4.797 4.640 -0.001 0.000 0.258 406 D C -1.547 174.832 176.300 0.133 0.000 1.223 406 D CA -2.091 51.926 54.000 0.028 0.000 0.886 406 D CB 1.432 42.214 40.800 -0.030 0.000 1.120 406 D HN 0.464 nan 8.370 nan 0.000 0.482 407 P HA -0.133 nan 4.420 nan 0.000 0.218 407 P C 0.408 177.756 177.300 0.079 0.000 1.148 407 P CA 0.859 64.050 63.100 0.151 0.000 0.822 407 P CB 0.431 32.171 31.700 0.065 0.000 0.784 408 D N -0.746 119.707 120.400 0.088 0.000 2.363 408 D HA -0.011 4.629 4.640 -0.001 0.000 0.226 408 D C 1.775 178.180 176.300 0.176 0.000 1.020 408 D CA 0.465 54.544 54.000 0.132 0.000 0.892 408 D CB 0.251 41.138 40.800 0.145 0.000 0.900 408 D HN 0.147 nan 8.370 nan 0.000 0.531 409 V N 0.304 120.242 119.914 0.039 0.000 2.788 409 V HA -0.038 4.081 4.120 -0.001 0.000 0.241 409 V C 2.352 178.312 176.094 -0.223 0.000 1.083 409 V CA 0.413 62.642 62.300 -0.118 0.000 1.103 409 V CB 0.018 31.626 31.823 -0.357 0.000 0.800 409 V HN -0.040 nan 8.190 nan 0.000 0.476 410 R N 0.930 121.250 120.500 -0.300 0.000 2.073 410 R HA 0.038 4.378 4.340 -0.001 0.000 0.234 410 R C 0.626 176.785 176.300 -0.235 0.000 1.134 410 R CA 1.632 57.482 56.100 -0.417 0.000 0.952 410 R CB -0.247 29.664 30.300 -0.648 0.000 0.850 410 R HN 0.463 nan 8.270 nan 0.000 0.433 411 I N 1.634 122.133 120.570 -0.119 0.000 2.420 411 I HA 0.267 4.437 4.170 -0.001 0.000 0.282 411 I C -0.560 175.572 176.117 0.025 0.000 1.019 411 I CA -0.726 60.534 61.300 -0.068 0.000 1.130 411 I CB 1.819 39.786 38.000 -0.055 0.000 1.262 411 I HN -0.005 nan 8.210 nan 0.000 0.454 412 I N 5.743 126.351 120.570 0.064 0.000 2.533 412 I HA 0.083 4.253 4.170 -0.001 0.000 0.284 412 I C 0.603 176.822 176.117 0.170 0.000 1.109 412 I CA 0.241 61.635 61.300 0.157 0.000 1.412 412 I CB 0.516 38.621 38.000 0.176 0.000 1.396 412 I HN 0.641 nan 8.210 nan 0.000 0.543 413 E N 6.611 126.910 120.200 0.165 0.000 2.121 413 E HA 0.135 4.484 4.350 -0.001 0.000 0.255 413 E C -0.727 175.877 176.600 0.007 0.000 0.906 413 E CA -0.606 55.850 56.400 0.094 0.000 0.745 413 E CB 0.650 30.390 29.700 0.067 0.000 1.155 413 E HN 0.442 nan 8.360 nan 0.000 0.424 414 N N 3.556 122.301 118.700 0.074 0.000 2.602 414 N HA -0.003 4.736 4.740 -0.001 0.000 0.238 414 N C -0.127 175.329 175.510 -0.090 0.000 1.084 414 N CA -0.151 52.916 53.050 0.028 0.000 0.952 414 N CB 0.232 38.862 38.487 0.238 0.000 1.244 414 N HN 0.583 nan 8.380 nan 0.000 0.512 415 H N 1.758 120.737 119.070 -0.151 0.000 2.505 415 H HA 0.314 4.869 4.556 -0.001 0.000 0.289 415 H C 0.991 176.202 175.328 -0.196 0.000 1.052 415 H CA -0.131 55.831 56.048 -0.142 0.000 1.156 415 H CB -0.017 29.658 29.762 -0.144 0.000 1.507 415 H HN 0.534 nan 8.280 nan 0.000 0.548 416 G N 1.865 110.527 108.800 -0.231 0.000 2.553 416 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.242 416 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.242 416 G C -0.169 174.533 174.900 -0.330 0.000 1.277 416 G CA 0.099 45.079 45.100 -0.200 0.000 0.910 416 G HN 0.853 nan 8.290 nan 0.000 0.576 417 T N -2.602 111.859 114.554 -0.155 0.000 2.909 417 T HA 0.695 5.044 4.350 -0.001 0.000 0.299 417 T C -0.454 174.206 174.700 -0.066 0.000 1.073 417 T CA -0.167 61.854 62.100 -0.132 0.000 0.999 417 T CB 2.304 71.131 68.868 -0.068 0.000 1.098 417 T HN 0.682 nan 8.240 nan 0.000 0.477 418 E N 2.165 122.327 120.200 -0.063 0.000 2.028 418 E HA 0.142 4.492 4.350 -0.001 0.000 0.275 418 E C -0.230 176.343 176.600 -0.045 0.000 1.171 418 E CA -0.412 55.957 56.400 -0.052 0.000 1.186 418 E CB 0.035 29.700 29.700 -0.058 0.000 1.256 418 E HN 0.686 nan 8.360 nan 0.000 0.474 419 D N 1.027 121.402 120.400 -0.041 0.000 2.615 419 D HA 0.005 4.644 4.640 -0.001 0.000 0.236 419 D C 0.613 176.883 176.300 -0.050 0.000 1.233 419 D CA -0.231 53.741 54.000 -0.046 0.000 0.829 419 D CB 0.411 41.187 40.800 -0.040 0.000 1.024 419 D HN 0.055 nan 8.370 nan 0.000 0.490 420 E N 0.284 120.458 120.200 -0.043 0.000 2.085 420 E HA -0.007 4.342 4.350 -0.001 0.000 0.194 420 E C 0.575 177.150 176.600 -0.043 0.000 0.994 420 E CA 0.849 57.227 56.400 -0.037 0.000 0.801 420 E CB 0.056 29.737 29.700 -0.031 0.000 0.743 420 E HN 0.452 nan 8.360 nan 0.000 0.453 421 L N 1.411 122.603 121.223 -0.052 0.000 2.334 421 L HA 0.337 4.676 4.340 -0.001 0.000 0.277 421 L C -2.123 174.673 176.870 -0.122 0.000 1.075 421 L CA -2.248 52.555 54.840 -0.062 0.000 0.804 421 L CB 0.950 42.982 42.059 -0.045 0.000 1.174 421 L HN -0.091 nan 8.230 nan 0.000 0.438 422 P HA 0.227 nan 4.420 nan 0.000 0.274 422 P C -1.455 175.509 177.300 -0.560 0.000 1.231 422 P CA -0.434 62.439 63.100 -0.379 0.000 0.790 422 P CB 0.532 32.008 31.700 -0.373 0.000 0.951 423 N N 1.073 119.371 118.700 -0.671 0.000 2.314 423 N HA 0.492 5.232 4.740 -0.001 0.000 0.294 423 N C -1.209 173.875 175.510 -0.710 0.000 1.029 423 N CA -0.526 52.214 53.050 -0.517 0.000 0.845 423 N CB 1.195 39.529 38.487 -0.255 0.000 1.321 423 N HN 0.361 nan 8.380 nan 0.000 0.481 424 Y N -0.237 119.953 120.300 -0.184 0.000 2.605 424 Y HA 0.630 5.179 4.550 -0.001 0.000 0.343 424 Y C 0.007 175.551 175.900 -0.593 0.000 1.036 424 Y CA -1.271 56.547 58.100 -0.470 0.000 1.065 424 Y CB 1.123 39.121 38.460 -0.770 0.000 1.288 424 Y HN 0.535 nan 8.280 nan 0.000 0.481 425 C N -0.094 118.875 119.300 -0.552 0.000 2.507 425 C HA 0.922 5.381 4.460 -0.001 0.000 0.319 425 C C -1.013 173.579 174.990 -0.664 0.000 1.208 425 C CA -1.115 57.665 59.018 -0.396 0.000 1.619 425 C CB -0.407 27.228 27.740 -0.176 0.000 2.230 425 C HN 0.592 nan 8.230 nan 0.000 0.492 426 F N 0.141 120.067 119.950 -0.041 0.000 2.631 426 F HA 0.747 5.274 4.527 -0.002 0.000 0.328 426 F C -2.132 173.640 175.800 -0.047 0.000 1.067 426 F CA -2.433 55.525 58.000 -0.070 0.000 0.969 426 F CB 0.268 39.224 39.000 -0.075 0.000 1.332 426 F HN 0.359 nan 8.300 nan 0.000 0.490 427 P HA 0.199 nan 4.420 nan 0.000 0.269 427 P C 0.767 178.008 177.300 -0.097 0.000 1.209 427 P CA -0.093 63.050 63.100 0.072 0.000 0.776 427 P CB 0.601 32.355 31.700 0.091 0.000 0.876 428 L N 1.289 122.408 121.223 -0.173 0.000 2.187 428 L HA -0.115 4.224 4.340 -0.001 0.000 0.213 428 L C 2.172 178.492 176.870 -0.917 0.000 1.100 428 L CA 1.792 56.423 54.840 -0.347 0.000 0.765 428 L CB -0.963 40.999 42.059 -0.163 0.000 0.904 428 L HN 0.594 nan 8.230 nan 0.000 0.437 429 G N -1.419 106.656 108.800 -1.209 0.000 2.777 429 G HA2 0.241 4.201 3.960 -0.001 0.000 0.211 429 G HA3 0.241 4.201 3.960 -0.001 0.000 0.211 429 G C 1.330 175.839 174.900 -0.651 0.000 1.149 429 G CA 0.562 44.619 45.100 -1.738 0.000 0.785 429 G HN 0.504 nan 8.290 nan 0.000 0.536 430 G N -0.268 108.303 108.800 -0.381 0.000 2.225 430 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.254 430 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.254 430 G C 1.087 175.923 174.900 -0.107 0.000 0.988 430 G CA 0.650 45.627 45.100 -0.205 0.000 0.625 430 G HN 0.456 nan 8.290 nan 0.000 0.527 431 I N -0.872 119.651 120.570 -0.079 0.000 3.534 431 I HA 0.504 4.674 4.170 -0.001 0.000 0.251 431 I C 2.080 178.243 176.117 0.077 0.000 1.136 431 I CA 0.959 62.263 61.300 0.006 0.000 1.475 431 I CB 0.164 38.173 38.000 0.014 0.000 1.526 431 I HN 0.976 nan 8.210 nan 0.000 0.454 432 G N 1.038 109.875 108.800 0.061 0.000 3.050 432 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.234 432 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.234 432 G C 0.076 175.001 174.900 0.043 0.000 1.521 432 G CA -0.183 44.971 45.100 0.090 0.000 1.090 432 G HN 0.551 nan 8.290 nan 0.000 0.556 433 V N 2.054 121.974 119.914 0.011 0.000 2.470 433 V HA 0.672 4.792 4.120 -0.001 0.000 0.276 433 V C 0.951 177.073 176.094 0.047 0.000 1.040 433 V CA 1.569 63.868 62.300 -0.002 0.000 1.008 433 V CB 0.351 32.147 31.823 -0.045 0.000 0.990 433 V HN 1.871 nan 8.190 nan 0.000 0.477 434 T N 1.598 116.191 114.554 0.065 0.000 2.901 434 T HA 0.805 5.155 4.350 -0.001 0.000 0.293 434 T C -0.895 173.874 174.700 0.114 0.000 1.084 434 T CA -0.840 61.320 62.100 0.101 0.000 1.008 434 T CB 2.449 71.385 68.868 0.113 0.000 1.170 434 T HN 0.637 nan 8.240 nan 0.000 0.509 435 D N 1.065 121.581 120.400 0.193 0.000 2.547 435 D HA 0.465 5.104 4.640 -0.001 0.000 0.231 435 D C -0.310 176.116 176.300 0.211 0.000 1.099 435 D CA -0.340 53.747 54.000 0.145 0.000 0.901 435 D CB 2.215 43.057 40.800 0.070 0.000 1.478 435 D HN 0.858 nan 8.370 nan 0.000 0.471 436 T N -1.063 113.508 114.554 0.028 0.000 2.869 436 T HA 0.551 4.901 4.350 -0.001 0.000 0.295 436 T C -0.610 174.036 174.700 -0.090 0.000 0.987 436 T CA -0.183 61.951 62.100 0.056 0.000 1.109 436 T CB 0.410 69.279 68.868 0.002 0.000 0.932 436 T HN 0.220 nan 8.240 nan 0.000 0.518 437 Y N -0.583 119.719 120.300 0.002 0.000 2.581 437 Y HA 0.632 5.183 4.550 0.003 0.000 0.345 437 Y C 0.386 176.279 175.900 -0.011 0.000 1.036 437 Y CA -1.048 57.042 58.100 -0.016 0.000 1.042 437 Y CB 1.556 39.996 38.460 -0.034 0.000 1.289 437 Y HN 0.953 nan 8.280 nan 0.000 0.471 438 Q N 0.585 120.462 119.800 0.128 0.000 2.345 438 Q HA 0.874 5.213 4.340 -0.001 0.000 0.268 438 Q C -0.866 175.142 176.000 0.012 0.000 1.054 438 Q CA -0.830 55.014 55.803 0.069 0.000 0.835 438 Q CB 1.716 30.480 28.738 0.044 0.000 1.339 438 Q HN 1.044 nan 8.270 nan 0.000 0.447 439 A N 1.484 124.275 122.820 -0.050 0.000 2.388 439 A HA 0.790 5.110 4.320 -0.001 0.000 0.257 439 A C 0.230 177.770 177.584 -0.073 0.000 1.095 439 A CA -0.008 51.897 52.037 -0.219 0.000 0.791 439 A CB -0.210 18.433 19.000 -0.596 0.000 1.029 439 A HN 1.550 nan 8.150 nan 0.000 0.489 440 I N -2.673 117.869 120.570 -0.047 0.000 2.865 440 I HA 0.902 5.071 4.170 -0.001 0.000 0.302 440 I C -0.316 175.932 176.117 0.219 0.000 1.140 440 I CA -1.062 60.298 61.300 0.101 0.000 1.021 440 I CB 1.898 39.975 38.000 0.129 0.000 1.233 440 I HN 0.673 nan 8.210 nan 0.000 0.427 441 K N 2.841 123.395 120.400 0.257 0.000 2.267 441 K HA 0.940 5.259 4.320 -0.001 0.000 0.246 441 K C -0.243 176.401 176.600 0.072 0.000 0.954 441 K CA -0.335 56.075 56.287 0.205 0.000 0.824 441 K CB 1.612 34.164 32.500 0.086 0.000 1.167 441 K HN 1.102 nan 8.250 nan 0.000 0.431 454 T N 1.178 115.574 114.554 -0.263 0.000 2.733 454 T HA 0.546 4.895 4.350 -0.001 0.000 0.294 454 T C -0.619 173.921 174.700 -0.267 0.000 0.956 454 T CA -0.504 61.511 62.100 -0.142 0.000 0.987 454 T CB -0.300 68.519 68.868 -0.082 0.000 0.920 454 T HN 0.389 nan 8.240 nan 0.000 0.470 455 W N 2.441 123.740 121.300 -0.001 0.000 2.469 455 W HA 0.612 5.271 4.660 -0.001 0.000 0.320 455 W C 0.590 177.109 176.519 -0.001 0.000 1.086 455 W CA -0.288 57.055 57.345 -0.003 0.000 1.211 455 W CB 1.260 30.716 29.460 -0.006 0.000 1.298 455 W HN 0.960 nan 8.180 nan 0.000 0.525 456 T N 0.111 114.780 114.554 0.193 0.000 2.908 456 T HA 0.670 5.020 4.350 -0.001 0.000 0.290 456 T C -0.096 174.678 174.700 0.123 0.000 1.034 456 T CA -1.024 61.149 62.100 0.121 0.000 1.010 456 T CB 0.579 69.485 68.868 0.063 0.000 1.068 456 T HN 0.511 nan 8.240 nan 0.000 0.481 457 K N 1.825 122.280 120.400 0.091 0.000 2.451 457 K HA 0.387 4.707 4.320 -0.001 0.000 0.280 457 K C -0.036 176.615 176.600 0.086 0.000 1.020 457 K CA -0.260 56.075 56.287 0.080 0.000 1.008 457 K CB 0.029 32.569 32.500 0.065 0.000 0.917 457 K HN 0.814 nan 8.250 nan 0.000 0.478 458 D N 2.434 122.889 120.400 0.092 0.000 2.339 458 D HA 0.273 4.912 4.640 -0.001 0.000 0.241 458 D C 1.262 177.660 176.300 0.163 0.000 1.183 458 D CA 0.641 54.718 54.000 0.129 0.000 0.859 458 D CB 1.032 41.913 40.800 0.135 0.000 1.067 458 D HN 0.686 nan 8.370 nan 0.000 0.484 459 E N 1.948 122.226 120.200 0.130 0.000 2.418 459 E HA -0.113 4.236 4.350 -0.001 0.000 0.197 459 E C 1.611 178.282 176.600 0.119 0.000 1.026 459 E CA 1.272 57.738 56.400 0.110 0.000 0.862 459 E CB -0.734 29.009 29.700 0.072 0.000 0.799 459 E HN 0.635 nan 8.360 nan 0.000 0.518 460 T N -2.798 111.855 114.554 0.165 0.000 3.148 460 T HA 0.317 4.666 4.350 -0.001 0.000 0.253 460 T C 0.224 174.936 174.700 0.021 0.000 1.134 460 T CA -0.200 61.955 62.100 0.091 0.000 1.051 460 T CB -0.513 68.405 68.868 0.084 0.000 0.959 460 T HN 0.179 nan 8.240 nan 0.000 0.525 461 F N 1.407 121.376 119.950 0.031 0.000 2.538 461 F HA 0.735 5.261 4.527 -0.001 0.000 0.325 461 F C 0.706 176.525 175.800 0.031 0.000 1.066 461 F CA -1.586 56.433 58.000 0.032 0.000 0.946 461 F CB 1.317 40.340 39.000 0.039 0.000 1.199 461 F HN 0.113 nan 8.300 nan 0.000 0.473 462 A N 0.543 123.484 122.820 0.200 0.000 2.448 462 A HA 0.305 4.624 4.320 -0.001 0.000 0.239 462 A C 1.247 178.919 177.584 0.147 0.000 1.080 462 A CA 0.420 52.534 52.037 0.129 0.000 0.779 462 A CB -0.180 18.877 19.000 0.096 0.000 1.026 462 A HN 0.954 nan 8.150 nan 0.000 0.499 463 T N -1.820 112.793 114.554 0.098 0.000 2.942 463 T HA 0.212 4.561 4.350 -0.001 0.000 0.265 463 T C 0.957 175.705 174.700 0.079 0.000 1.062 463 T CA 1.309 63.459 62.100 0.083 0.000 1.139 463 T CB -0.355 68.546 68.868 0.055 0.000 0.883 463 T HN 1.248 nan 8.240 nan 0.000 0.468 464 R N 1.604 122.150 120.500 0.078 0.000 2.275 464 R HA 0.631 4.970 4.340 -0.001 0.000 0.326 464 R C -0.781 175.581 176.300 0.104 0.000 0.973 464 R CA -0.822 55.324 56.100 0.076 0.000 0.854 464 R CB -0.312 30.018 30.300 0.051 0.000 1.156 464 R HN 0.458 nan 8.270 nan 0.000 0.487 465 N N 2.242 121.026 118.700 0.141 0.000 2.354 465 N HA 0.226 4.966 4.740 -0.001 0.000 0.287 465 N C -1.173 174.444 175.510 0.179 0.000 1.016 465 N CA -0.735 52.406 53.050 0.153 0.000 0.871 465 N CB 2.163 40.748 38.487 0.163 0.000 1.299 465 N HN 0.554 nan 8.380 nan 0.000 0.482 466 E N 2.434 122.718 120.200 0.139 0.000 2.217 466 E HA 0.332 4.682 4.350 -0.001 0.000 0.279 466 E C 0.002 176.666 176.600 0.108 0.000 1.068 466 E CA 0.081 56.568 56.400 0.145 0.000 0.882 466 E CB 0.922 30.697 29.700 0.124 0.000 1.039 466 E HN 0.472 nan 8.360 nan 0.000 0.418 467 I N 1.164 121.799 120.570 0.108 0.000 2.569 467 I HA 0.390 4.560 4.170 -0.001 0.000 0.290 467 I C 0.380 176.504 176.117 0.012 0.000 1.088 467 I CA -1.046 60.227 61.300 -0.044 0.000 1.047 467 I CB 2.478 40.265 38.000 -0.355 0.000 1.237 467 I HN 0.374 nan 8.210 nan 0.000 0.421 468 G N 4.881 113.680 108.800 -0.002 0.000 2.379 468 G HA2 0.618 4.578 3.960 -0.001 0.000 0.327 468 G HA3 0.618 4.578 3.960 -0.001 0.000 0.327 468 G C -0.867 174.028 174.900 -0.008 0.000 1.145 468 G CA -0.377 44.741 45.100 0.030 0.000 0.905 468 G HN 0.306 nan 8.290 nan 0.000 0.466 469 V N 1.917 121.843 119.914 0.020 0.000 2.532 469 V HA 0.868 4.987 4.120 -0.001 0.000 0.295 469 V C 1.048 177.150 176.094 0.014 0.000 1.041 469 V CA 1.009 63.311 62.300 0.002 0.000 0.926 469 V CB 0.617 32.457 31.823 0.028 0.000 0.992 469 V HN 1.732 nan 8.190 nan 0.000 0.457 470 G N 4.742 113.542 108.800 -0.000 0.000 2.615 470 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 470 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 470 G C -0.379 174.523 174.900 0.003 0.000 1.339 470 G CA -0.428 44.675 45.100 0.004 0.000 0.884 470 G HN 0.684 nan 8.290 nan 0.000 0.559 471 N N 1.232 119.935 118.700 0.005 0.000 2.381 471 N HA 0.326 5.066 4.740 -0.001 0.000 0.254 471 N C 0.887 176.413 175.510 0.027 0.000 1.264 471 N CA 0.284 53.333 53.050 -0.001 0.000 0.942 471 N CB 0.161 38.637 38.487 -0.018 0.000 1.190 471 N HN 0.946 nan 8.380 nan 0.000 0.495 472 N N -0.443 118.276 118.700 0.031 0.000 2.317 472 N HA 0.062 4.801 4.740 -0.001 0.000 0.245 472 N C -0.536 175.062 175.510 0.146 0.000 1.294 472 N CA -0.309 52.794 53.050 0.088 0.000 0.924 472 N CB 0.056 38.590 38.487 0.078 0.000 1.186 472 N HN 0.409 nan 8.380 nan 0.000 0.495 473 F N -0.426 119.545 119.950 0.036 0.000 2.443 473 F HA 0.555 5.082 4.527 0.001 0.000 0.353 473 F C -0.204 175.605 175.800 0.015 0.000 1.101 473 F CA -0.782 57.229 58.000 0.018 0.000 1.226 473 F CB -0.004 39.006 39.000 0.017 0.000 1.140 473 F HN 0.753 nan 8.300 nan 0.000 0.557 474 A N 7.437 129.757 122.820 -0.833 0.000 2.574 474 A HA 0.746 5.065 4.320 -0.001 0.000 0.297 474 A C -1.294 175.829 177.584 -0.769 0.000 1.062 474 A CA -0.943 50.619 52.037 -0.791 0.000 0.686 474 A CB 1.490 20.143 19.000 -0.578 0.000 1.285 474 A HN 0.677 nan 8.150 nan 0.000 0.403 475 M N 0.931 120.183 119.600 -0.579 0.000 2.644 475 M HA 0.577 5.056 4.480 -0.001 0.000 0.316 475 M C -0.267 175.948 176.300 -0.142 0.000 1.200 475 M CA -0.255 54.853 55.300 -0.319 0.000 0.944 475 M CB 1.707 34.154 32.600 -0.254 0.000 1.691 475 M HN 0.902 nan 8.290 nan 0.000 0.471 476 E N 1.233 121.392 120.200 -0.069 0.000 2.266 476 E HA 0.746 5.096 4.350 -0.001 0.000 0.268 476 E C -1.965 174.547 176.600 -0.148 0.000 0.879 476 E CA -0.596 55.763 56.400 -0.069 0.000 0.762 476 E CB 3.098 32.793 29.700 -0.009 0.000 1.199 476 E HN 0.706 nan 8.360 nan 0.000 0.422 477 I N 2.857 123.304 120.570 -0.204 0.000 2.752 477 I HA 0.340 4.509 4.170 -0.001 0.000 0.295 477 I C -1.712 174.299 176.117 -0.178 0.000 1.219 477 I CA -0.789 60.412 61.300 -0.165 0.000 1.030 477 I CB 2.048 39.977 38.000 -0.118 0.000 1.259 477 I HN 0.423 nan 8.210 nan 0.000 0.423 478 N N 7.202 125.818 118.700 -0.139 0.000 2.645 478 N HA 0.299 5.038 4.740 -0.001 0.000 0.233 478 N C 0.653 176.126 175.510 -0.061 0.000 1.058 478 N CA -0.186 52.798 53.050 -0.110 0.000 0.942 478 N CB 0.730 39.162 38.487 -0.093 0.000 1.210 478 N HN 0.716 nan 8.380 nan 0.000 0.512 479 L N 2.073 123.259 121.223 -0.062 0.000 2.012 479 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 479 L C 1.713 178.590 176.870 0.012 0.000 1.073 479 L CA 0.974 55.799 54.840 -0.024 0.000 0.748 479 L CB -0.300 41.742 42.059 -0.030 0.000 0.891 479 L HN 0.432 nan 8.230 nan 0.000 0.431 480 N N 0.140 118.844 118.700 0.006 0.000 2.244 480 N HA -0.110 4.629 4.740 -0.001 0.000 0.183 480 N C 1.846 177.412 175.510 0.094 0.000 1.016 480 N CA 1.423 54.494 53.050 0.035 0.000 0.866 480 N CB -0.221 38.265 38.487 -0.002 0.000 0.980 480 N HN 0.323 nan 8.380 nan 0.000 0.430 481 A N 1.348 124.216 122.820 0.080 0.000 1.898 481 A HA -0.080 4.240 4.320 -0.001 0.000 0.216 481 A C 2.101 179.782 177.584 0.162 0.000 1.181 481 A CA 1.026 53.149 52.037 0.144 0.000 0.620 481 A CB -0.386 18.667 19.000 0.088 0.000 0.819 481 A HN 0.239 nan 8.150 nan 0.000 0.442 482 N N 0.222 118.978 118.700 0.094 0.000 2.084 482 N HA -0.106 4.634 4.740 -0.001 0.000 0.190 482 N C 1.795 177.376 175.510 0.119 0.000 1.030 482 N CA 1.523 54.620 53.050 0.078 0.000 0.849 482 N CB -0.388 38.121 38.487 0.037 0.000 1.012 482 N HN 0.474 nan 8.380 nan 0.000 0.423 483 L N -0.042 121.263 121.223 0.138 0.000 2.042 483 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 483 L C 2.476 179.517 176.870 0.285 0.000 1.076 483 L CA 1.270 56.214 54.840 0.174 0.000 0.749 483 L CB -0.500 41.644 42.059 0.142 0.000 0.893 483 L HN 0.438 nan 8.230 nan 0.000 0.432 484 W N 1.382 122.723 121.300 0.068 0.000 2.355 484 W HA -0.251 4.408 4.660 -0.001 0.000 0.309 484 W C 2.757 179.372 176.519 0.161 0.000 1.206 484 W CA 1.217 58.617 57.345 0.093 0.000 1.284 484 W CB -0.071 29.411 29.460 0.037 0.000 1.145 484 W HN 0.090 nan 8.180 nan 0.000 0.502 485 R N 0.659 121.207 120.500 0.079 0.000 2.081 485 R HA -0.208 4.131 4.340 -0.001 0.000 0.235 485 R C 1.863 178.148 176.300 -0.026 0.000 1.131 485 R CA 2.297 58.351 56.100 -0.077 0.000 0.960 485 R CB -0.554 29.744 30.300 -0.003 0.000 0.856 485 R HN 0.142 nan 8.270 nan 0.000 0.436 486 N N -0.496 118.243 118.700 0.066 0.000 2.166 486 N HA -0.169 4.570 4.740 -0.001 0.000 0.186 486 N C 1.257 176.843 175.510 0.126 0.000 1.019 486 N CA 1.283 54.392 53.050 0.099 0.000 0.856 486 N CB -0.231 38.325 38.487 0.115 0.000 0.993 486 N HN 0.178 nan 8.380 nan 0.000 0.426 487 F N 1.078 121.025 119.950 -0.005 0.000 2.102 487 F HA -0.031 4.495 4.527 -0.001 0.000 0.298 487 F C 1.708 177.440 175.800 -0.113 0.000 1.105 487 F CA 1.171 59.163 58.000 -0.013 0.000 1.239 487 F CB -0.344 38.672 39.000 0.027 0.000 0.991 487 F HN -0.034 nan 8.300 nan 0.000 0.474 488 L N -1.057 119.975 121.223 -0.318 0.000 2.017 488 L HA -0.255 4.084 4.340 -0.001 0.000 0.208 488 L C 2.389 179.113 176.870 -0.242 0.000 1.073 488 L CA 1.703 56.290 54.840 -0.422 0.000 0.745 488 L CB -1.065 40.705 42.059 -0.481 0.000 0.894 488 L HN 0.222 nan 8.230 nan 0.000 0.432 489 Y N 0.082 120.244 120.300 -0.229 0.000 2.114 489 Y HA -0.298 4.251 4.550 -0.001 0.000 0.284 489 Y C 3.052 178.881 175.900 -0.118 0.000 1.143 489 Y CA 1.782 59.789 58.100 -0.155 0.000 1.135 489 Y CB -0.349 38.038 38.460 -0.121 0.000 0.980 489 Y HN 0.104 nan 8.280 nan 0.000 0.499 490 S N -0.242 115.420 115.700 -0.063 0.000 2.402 490 S HA -0.150 4.319 4.470 -0.001 0.000 0.229 490 S C 1.668 176.292 174.600 0.041 0.000 1.021 490 S CA 1.643 59.804 58.200 -0.065 0.000 0.974 490 S CB -0.329 62.892 63.200 0.035 0.000 0.800 490 S HN 0.600 nan 8.310 nan 0.000 0.484 491 N N -0.095 118.557 118.700 -0.081 0.000 2.368 491 N HA 0.286 5.025 4.740 -0.001 0.000 0.178 491 N C 1.347 176.880 175.510 0.040 0.000 1.076 491 N CA 0.711 53.773 53.050 0.020 0.000 0.889 491 N CB 0.353 38.593 38.487 -0.411 0.000 1.040 491 N HN 0.459 nan 8.380 nan 0.000 0.463 492 I N -0.025 120.481 120.570 -0.105 0.000 3.739 492 I HA 0.151 4.320 4.170 -0.001 0.000 0.272 492 I C 2.169 178.243 176.117 -0.071 0.000 1.167 492 I CA 0.178 61.435 61.300 -0.072 0.000 1.386 492 I CB -0.240 37.670 38.000 -0.149 0.000 1.490 492 I HN -0.154 nan 8.210 nan 0.000 0.452 493 A N 1.679 124.383 122.820 -0.193 0.000 1.873 493 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 493 A C 2.245 179.614 177.584 -0.358 0.000 1.193 493 A CA 1.762 53.635 52.037 -0.273 0.000 0.629 493 A CB -1.117 17.659 19.000 -0.372 0.000 0.826 493 A HN 0.380 nan 8.150 nan 0.000 0.447 494 L N -2.226 118.688 121.223 -0.516 0.000 2.265 494 L HA -0.183 4.156 4.340 -0.001 0.000 0.215 494 L C 1.722 178.313 176.870 -0.465 0.000 1.117 494 L CA 0.994 55.508 54.840 -0.543 0.000 0.782 494 L CB -0.325 41.357 42.059 -0.629 0.000 0.914 494 L HN 0.540 nan 8.230 nan 0.000 0.441 495 Y N -0.851 119.319 120.300 -0.216 0.000 2.470 495 Y HA 0.190 4.739 4.550 -0.001 0.000 0.284 495 Y C 0.893 176.730 175.900 -0.106 0.000 1.188 495 Y CA -0.564 57.456 58.100 -0.133 0.000 1.269 495 Y CB -0.140 38.279 38.460 -0.069 0.000 1.094 495 Y HN 0.016 nan 8.280 nan 0.000 0.518 496 L N 1.560 122.760 121.223 -0.039 0.000 2.473 496 L HA 0.128 4.467 4.340 -0.001 0.000 0.268 496 L C -1.930 174.903 176.870 -0.062 0.000 1.215 496 L CA -1.907 52.902 54.840 -0.053 0.000 0.823 496 L CB 0.175 42.164 42.059 -0.116 0.000 1.099 496 L HN -0.075 nan 8.230 nan 0.000 0.483 497 P HA -0.070 nan 4.420 nan 0.000 0.265 497 P C -0.057 177.203 177.300 -0.067 0.000 1.187 497 P CA 0.159 63.238 63.100 -0.034 0.000 0.766 497 P CB 0.472 32.156 31.700 -0.027 0.000 0.820 498 D N 2.981 123.366 120.400 -0.025 0.000 2.265 498 D HA -0.198 4.441 4.640 -0.001 0.000 0.208 498 D C 1.563 177.849 176.300 -0.023 0.000 0.977 498 D CA 1.310 55.299 54.000 -0.017 0.000 0.871 498 D CB 0.018 40.862 40.800 0.074 0.000 0.925 498 D HN 0.424 nan 8.370 nan 0.000 0.485 499 K N -0.155 120.229 120.400 -0.028 0.000 2.362 499 K HA -0.081 4.239 4.320 -0.001 0.000 0.200 499 K C 1.684 178.247 176.600 -0.062 0.000 1.046 499 K CA 0.820 57.091 56.287 -0.026 0.000 0.952 499 K CB -0.212 32.277 32.500 -0.018 0.000 0.753 499 K HN 0.242 nan 8.250 nan 0.000 0.466 500 L N 0.709 121.859 121.223 -0.122 0.000 2.567 500 L HA 0.138 4.477 4.340 -0.001 0.000 0.225 500 L C 0.514 177.337 176.870 -0.079 0.000 1.119 500 L CA 0.057 54.808 54.840 -0.148 0.000 0.871 500 L CB 0.024 41.916 42.059 -0.278 0.000 1.036 500 L HN 0.108 nan 8.230 nan 0.000 0.459 501 K N -0.109 120.243 120.400 -0.079 0.000 2.168 501 K HA 0.513 4.832 4.320 -0.001 0.000 0.239 501 K C -1.148 175.446 176.600 -0.010 0.000 0.999 501 K CA -0.698 55.521 56.287 -0.113 0.000 0.900 501 K CB 1.625 33.997 32.500 -0.212 0.000 1.111 501 K HN -0.152 nan 8.250 nan 0.000 0.452 502 Y N -2.249 117.979 120.300 -0.119 0.000 2.609 502 Y HA 0.463 5.012 4.550 -0.001 0.000 0.342 502 Y C -0.688 175.138 175.900 -0.124 0.000 1.058 502 Y CA -1.545 56.493 58.100 -0.102 0.000 1.055 502 Y CB 0.653 39.062 38.460 -0.085 0.000 1.292 502 Y HN 0.320 nan 8.280 nan 0.000 0.476 503 N N 3.084 121.861 118.700 0.128 0.000 2.525 503 N HA 0.321 5.060 4.740 -0.001 0.000 0.271 503 N C -2.523 173.041 175.510 0.091 0.000 1.194 503 N CA -1.535 51.524 53.050 0.016 0.000 0.964 503 N CB 0.587 39.089 38.487 0.025 0.000 1.126 503 N HN 0.542 nan 8.380 nan 0.000 0.452 504 P HA 0.181 nan 4.420 nan 0.000 0.276 504 P C -0.679 176.643 177.300 0.037 0.000 1.252 504 P CA -0.206 62.905 63.100 0.018 0.000 0.802 504 P CB 0.666 32.343 31.700 -0.038 0.000 1.035 505 T N 1.944 116.521 114.554 0.038 0.000 2.824 505 T HA 0.228 4.577 4.350 -0.001 0.000 0.280 505 T C 0.388 175.068 174.700 -0.034 0.000 0.995 505 T CA -0.349 61.757 62.100 0.009 0.000 1.009 505 T CB -0.123 68.756 68.868 0.019 0.000 0.955 505 T HN 0.460 nan 8.240 nan 0.000 0.452 506 N N 0.364 119.040 118.700 -0.040 0.000 2.741 506 N HA -0.139 4.601 4.740 -0.001 0.000 0.250 506 N C -0.927 174.550 175.510 -0.054 0.000 1.115 506 N CA 0.459 53.473 53.050 -0.060 0.000 0.724 506 N CB -1.176 37.248 38.487 -0.105 0.000 1.090 506 N HN 0.398 nan 8.380 nan 0.000 0.558 507 V N -0.179 119.715 119.914 -0.034 0.000 2.612 507 V HA 0.513 4.633 4.120 -0.001 0.000 0.301 507 V C 0.479 176.560 176.094 -0.021 0.000 1.059 507 V CA -0.447 61.837 62.300 -0.027 0.000 0.886 507 V CB 1.797 33.608 31.823 -0.020 0.000 1.007 507 V HN 0.289 nan 8.190 nan 0.000 0.426 508 E N 4.018 124.208 120.200 -0.016 0.000 2.415 508 E HA 0.593 4.942 4.350 -0.001 0.000 0.262 508 E C -0.567 176.022 176.600 -0.019 0.000 1.038 508 E CA 0.180 56.573 56.400 -0.010 0.000 0.921 508 E CB 1.349 31.047 29.700 -0.004 0.000 0.950 508 E HN 0.809 nan 8.360 nan 0.000 0.438 509 I N 0.799 121.364 120.570 -0.009 0.000 2.692 509 I HA 0.386 4.555 4.170 -0.001 0.000 0.293 509 I C 0.263 176.407 176.117 0.045 0.000 1.200 509 I CA -0.567 60.726 61.300 -0.011 0.000 1.036 509 I CB 2.213 40.182 38.000 -0.051 0.000 1.258 509 I HN 0.660 nan 8.210 nan 0.000 0.421 510 S N 3.816 119.557 115.700 0.068 0.000 2.560 510 S HA -0.041 4.428 4.470 -0.001 0.000 0.276 510 S C 0.591 175.263 174.600 0.120 0.000 1.350 510 S CA 0.654 58.906 58.200 0.086 0.000 1.024 510 S CB 0.720 63.971 63.200 0.083 0.000 0.864 510 S HN 0.791 nan 8.310 nan 0.000 0.536 511 D N 0.734 121.159 120.400 0.043 0.000 2.271 511 D HA 0.139 4.778 4.640 -0.001 0.000 0.206 511 D C 0.154 176.394 176.300 -0.100 0.000 0.967 511 D CA 0.446 54.446 54.000 -0.000 0.000 0.867 511 D CB 0.035 40.831 40.800 -0.006 0.000 0.960 511 D HN 0.418 nan 8.370 nan 0.000 0.509 512 N N 0.799 119.437 118.700 -0.102 0.000 2.401 512 N HA 0.056 4.796 4.740 -0.001 0.000 0.255 512 N C -1.926 173.363 175.510 -0.370 0.000 1.110 512 N CA -1.470 51.476 53.050 -0.174 0.000 0.949 512 N CB 1.560 40.000 38.487 -0.079 0.000 1.110 512 N HN 0.015 nan 8.380 nan 0.000 0.490 513 P HA -0.004 nan 4.420 nan 0.000 0.237 513 P C 0.025 177.127 177.300 -0.330 0.000 1.178 513 P CA 0.640 63.139 63.100 -1.002 0.000 0.766 513 P CB 0.527 31.705 31.700 -0.870 0.000 0.876 514 N N -0.576 118.018 118.700 -0.177 0.000 2.383 514 N HA 0.027 4.766 4.740 -0.001 0.000 0.192 514 N C 0.481 175.983 175.510 -0.012 0.000 1.141 514 N CA 0.488 53.504 53.050 -0.058 0.000 0.851 514 N CB -0.032 38.428 38.487 -0.046 0.000 0.976 514 N HN 0.095 nan 8.380 nan 0.000 0.465 515 T N -0.103 114.447 114.554 -0.007 0.000 2.909 515 T HA 0.089 4.438 4.350 -0.001 0.000 0.286 515 T C 0.961 175.717 174.700 0.094 0.000 1.002 515 T CA -0.453 61.678 62.100 0.052 0.000 1.074 515 T CB 1.366 70.260 68.868 0.044 0.000 0.984 515 T HN 0.122 nan 8.240 nan 0.000 0.495 516 Y N 2.658 122.946 120.300 -0.021 0.000 2.181 516 Y HA -0.150 4.399 4.550 -0.001 0.000 0.288 516 Y C 2.178 178.034 175.900 -0.073 0.000 1.146 516 Y CA 2.242 60.308 58.100 -0.057 0.000 1.164 516 Y CB -0.220 38.193 38.460 -0.079 0.000 0.982 516 Y HN 0.844 nan 8.280 nan 0.000 0.515 517 D N -1.098 119.286 120.400 -0.026 0.000 2.116 517 D HA -0.312 4.328 4.640 -0.001 0.000 0.193 517 D C 2.089 178.275 176.300 -0.191 0.000 0.998 517 D CA 1.853 55.776 54.000 -0.129 0.000 0.836 517 D CB -0.604 40.194 40.800 -0.003 0.000 0.951 517 D HN 0.499 nan 8.370 nan 0.000 0.449 518 Y N 0.522 120.706 120.300 -0.192 0.000 2.089 518 Y HA -0.171 4.378 4.550 -0.001 0.000 0.282 518 Y C 2.258 178.007 175.900 -0.252 0.000 1.139 518 Y CA 1.884 59.876 58.100 -0.180 0.000 1.123 518 Y CB -0.312 38.078 38.460 -0.116 0.000 0.980 518 Y HN -0.002 nan 8.280 nan 0.000 0.493 519 M N -0.149 119.369 119.600 -0.137 0.000 2.279 519 M HA -0.190 4.289 4.480 -0.001 0.000 0.264 519 M C 1.707 177.714 176.300 -0.488 0.000 1.062 519 M CA 1.874 57.009 55.300 -0.275 0.000 1.099 519 M CB -0.431 32.061 32.600 -0.181 0.000 1.394 519 M HN 0.315 nan 8.290 nan 0.000 0.426 520 N N 0.677 118.986 118.700 -0.652 0.000 2.368 520 N HA -0.042 4.697 4.740 -0.001 0.000 0.176 520 N C 1.268 176.370 175.510 -0.679 0.000 1.021 520 N CA 1.004 53.593 53.050 -0.767 0.000 0.888 520 N CB 0.241 38.061 38.487 -1.111 0.000 0.995 520 N HN 0.220 nan 8.380 nan 0.000 0.437 521 K N -0.521 119.538 120.400 -0.570 0.000 2.361 521 K HA 0.186 4.505 4.320 -0.001 0.000 0.194 521 K C -0.108 176.274 176.600 -0.363 0.000 1.032 521 K CA -0.211 55.817 56.287 -0.432 0.000 1.048 521 K CB 0.517 32.819 32.500 -0.329 0.000 0.842 521 K HN 0.008 nan 8.250 nan 0.000 0.526 522 R N 1.933 122.145 120.500 -0.479 0.000 2.484 522 R HA 0.028 4.367 4.340 -0.001 0.000 0.293 522 R C -0.208 175.840 176.300 -0.420 0.000 1.023 522 R CA 0.061 55.868 56.100 -0.489 0.000 1.037 522 R CB 0.738 30.682 30.300 -0.593 0.000 0.951 522 R HN -0.048 nan 8.270 nan 0.000 0.418 523 V N 4.137 123.745 119.914 -0.510 0.000 2.509 523 V HA 0.356 4.475 4.120 -0.001 0.000 0.284 523 V C -0.405 175.304 176.094 -0.642 0.000 1.047 523 V CA -0.560 61.402 62.300 -0.564 0.000 0.952 523 V CB 1.785 33.217 31.823 -0.652 0.000 0.988 523 V HN 0.452 nan 8.190 nan 0.000 0.469 524 V N 7.050 126.766 119.914 -0.329 0.000 2.495 524 V HA 0.859 4.978 4.120 -0.001 0.000 0.298 524 V C 0.439 176.539 176.094 0.009 0.000 1.031 524 V CA -0.095 62.092 62.300 -0.189 0.000 0.871 524 V CB 1.620 33.330 31.823 -0.190 0.000 0.988 524 V HN 1.436 nan 8.190 nan 0.000 0.432 525 A N 7.460 130.303 122.820 0.038 0.000 2.404 525 A HA 0.546 4.866 4.320 -0.001 0.000 0.273 525 A C -1.635 176.015 177.584 0.110 0.000 1.144 525 A CA -1.046 51.032 52.037 0.069 0.000 0.806 525 A CB 0.265 19.300 19.000 0.058 0.000 1.080 525 A HN 0.804 nan 8.150 nan 0.000 0.509 526 P HA -0.136 nan 4.420 nan 0.000 0.219 526 P C 1.644 178.966 177.300 0.036 0.000 1.146 526 P CA 1.726 64.876 63.100 0.083 0.000 0.808 526 P CB 0.214 31.794 31.700 -0.200 0.000 0.779 527 G N -0.549 108.267 108.800 0.028 0.000 2.498 527 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 527 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 527 G C 1.377 176.291 174.900 0.022 0.000 1.119 527 G CA 0.287 45.412 45.100 0.041 0.000 0.766 527 G HN 0.260 nan 8.290 nan 0.000 0.552 528 L N -0.251 120.988 121.223 0.026 0.000 2.141 528 L HA 0.034 4.374 4.340 -0.001 0.000 0.209 528 L C 0.734 177.606 176.870 0.003 0.000 1.094 528 L CA 0.552 55.409 54.840 0.029 0.000 0.763 528 L CB 0.136 42.203 42.059 0.013 0.000 0.908 528 L HN 0.050 nan 8.230 nan 0.000 0.437 529 V N -0.929 118.960 119.914 -0.040 0.000 2.502 529 V HA 0.216 4.335 4.120 -0.001 0.000 0.261 529 V C -0.373 175.610 176.094 -0.186 0.000 0.996 529 V CA -0.623 61.622 62.300 -0.092 0.000 1.095 529 V CB 0.700 32.476 31.823 -0.078 0.000 1.325 529 V HN 0.072 nan 8.190 nan 0.000 0.574 530 D N 0.672 120.877 120.400 -0.326 0.000 2.411 530 D HA 0.123 4.763 4.640 -0.001 0.000 0.251 530 D C 1.502 177.505 176.300 -0.495 0.000 1.201 530 D CA -0.022 53.700 54.000 -0.464 0.000 0.996 530 D CB 2.096 42.451 40.800 -0.741 0.000 1.101 530 D HN 0.551 nan 8.370 nan 0.000 0.504 531 C N 0.422 119.532 119.300 -0.317 0.000 2.430 531 C HA -0.080 4.379 4.460 -0.001 0.000 0.288 531 C C 1.871 176.952 174.990 0.151 0.000 1.448 531 C CA -0.023 58.972 59.018 -0.038 0.000 1.784 531 C CB -2.208 25.664 27.740 0.219 0.000 1.776 531 C HN 0.590 nan 8.230 nan 0.000 0.547 532 Y N -1.070 119.319 120.300 0.147 0.000 2.524 532 Y HA 0.591 5.140 4.550 -0.001 0.000 0.266 532 Y C 0.757 176.725 175.900 0.113 0.000 1.180 532 Y CA -1.948 56.230 58.100 0.131 0.000 1.244 532 Y CB -1.074 37.439 38.460 0.088 0.000 1.125 532 Y HN 0.151 nan 8.280 nan 0.000 0.524 533 I N 3.200 123.742 120.570 -0.046 0.000 2.668 533 I HA 0.010 4.179 4.170 -0.001 0.000 0.285 533 I C 0.297 176.479 176.117 0.109 0.000 1.168 533 I CA 0.108 61.420 61.300 0.021 0.000 1.424 533 I CB -0.226 37.751 38.000 -0.038 0.000 1.377 533 I HN 0.418 nan 8.210 nan 0.000 0.560 534 N N 5.679 124.436 118.700 0.095 0.000 2.689 534 N HA -0.239 4.501 4.740 -0.001 0.000 0.263 534 N C -0.411 175.151 175.510 0.086 0.000 0.987 534 N CA 0.552 53.633 53.050 0.052 0.000 0.782 534 N CB -0.884 37.618 38.487 0.026 0.000 0.903 534 N HN 0.577 nan 8.380 nan 0.000 0.547 535 L N 0.070 121.359 121.223 0.110 0.000 2.540 535 L HA 0.078 4.418 4.340 -0.001 0.000 0.276 535 L C 1.654 178.566 176.870 0.070 0.000 1.212 535 L CA 1.111 56.019 54.840 0.113 0.000 0.893 535 L CB 0.222 42.358 42.059 0.128 0.000 1.138 535 L HN 0.640 nan 8.230 nan 0.000 0.491 536 G N 2.525 111.366 108.800 0.069 0.000 2.157 536 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.248 536 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.248 536 G C 0.106 175.037 174.900 0.052 0.000 0.979 536 G CA 0.028 45.160 45.100 0.053 0.000 0.650 536 G HN 0.985 nan 8.290 nan 0.000 0.529 537 A N -0.563 122.296 122.820 0.066 0.000 2.356 537 A HA 0.896 5.215 4.320 -0.001 0.000 0.323 537 A C 0.178 177.844 177.584 0.137 0.000 1.119 537 A CA -0.164 51.921 52.037 0.080 0.000 0.790 537 A CB 1.091 20.110 19.000 0.033 0.000 1.273 537 A HN 0.747 nan 8.150 nan 0.000 0.452 538 R N 1.754 122.349 120.500 0.159 0.000 2.247 538 R HA 0.391 4.730 4.340 -0.001 0.000 0.329 538 R C -1.534 174.932 176.300 0.277 0.000 1.014 538 R CA -0.207 55.992 56.100 0.164 0.000 0.907 538 R CB 0.547 30.909 30.300 0.104 0.000 1.146 538 R HN 0.777 nan 8.270 nan 0.000 0.499 539 W N 4.147 125.451 121.300 0.007 0.000 3.573 539 W HA 0.214 4.874 4.660 -0.001 0.000 0.306 539 W C -1.406 175.102 176.519 -0.018 0.000 1.227 539 W CA -0.579 56.760 57.345 -0.010 0.000 1.212 539 W CB 2.057 31.516 29.460 -0.002 0.000 1.331 539 W HN 0.609 nan 8.180 nan 0.000 0.524 540 S N 4.673 120.124 115.700 -0.416 0.000 2.537 540 S HA 0.536 5.006 4.470 -0.001 0.000 0.275 540 S C -0.028 174.350 174.600 -0.369 0.000 1.272 540 S CA -0.713 57.287 58.200 -0.334 0.000 1.050 540 S CB 1.536 64.501 63.200 -0.391 0.000 0.961 540 S HN 0.416 nan 8.310 nan 0.000 0.496 541 L N 2.844 124.022 121.223 -0.076 0.000 2.490 541 L HA 0.052 4.391 4.340 -0.001 0.000 0.274 541 L C 1.166 178.002 176.870 -0.057 0.000 1.201 541 L CA -0.342 54.529 54.840 0.052 0.000 0.869 541 L CB 0.108 42.233 42.059 0.110 0.000 1.123 541 L HN 0.750 nan 8.230 nan 0.000 0.484 542 D N 1.842 122.223 120.400 -0.032 0.000 2.149 542 D HA -0.215 4.424 4.640 -0.001 0.000 0.198 542 D C 1.754 178.008 176.300 -0.076 0.000 0.990 542 D CA 1.770 55.699 54.000 -0.119 0.000 0.839 542 D CB 0.016 40.737 40.800 -0.130 0.000 0.948 542 D HN 0.525 nan 8.370 nan 0.000 0.460 543 Y N -0.102 120.219 120.300 0.035 0.000 2.483 543 Y HA -0.062 4.487 4.550 -0.001 0.000 0.291 543 Y C 2.168 178.076 175.900 0.012 0.000 1.143 543 Y CA 0.634 58.752 58.100 0.030 0.000 1.289 543 Y CB -0.100 38.380 38.460 0.033 0.000 0.983 543 Y HN -0.023 nan 8.280 nan 0.000 0.556 544 M N -1.218 118.450 119.600 0.113 0.000 2.414 544 M HA 0.023 4.502 4.480 -0.001 0.000 0.251 544 M C 0.968 177.259 176.300 -0.015 0.000 1.116 544 M CA 0.428 55.748 55.300 0.033 0.000 1.056 544 M CB -0.369 32.214 32.600 -0.029 0.000 1.388 544 M HN 0.107 nan 8.290 nan 0.000 0.487 545 D N 1.558 121.931 120.400 -0.045 0.000 2.149 545 D HA -0.124 4.515 4.640 -0.001 0.000 0.198 545 D C 0.976 177.386 176.300 0.184 0.000 0.990 545 D CA 1.171 55.119 54.000 -0.086 0.000 0.839 545 D CB -0.168 40.489 40.800 -0.238 0.000 0.948 545 D HN 0.298 nan 8.370 nan 0.000 0.460 546 N N -0.039 118.807 118.700 0.244 0.000 2.276 546 N HA 0.047 4.786 4.740 -0.001 0.000 0.212 546 N C -0.594 175.151 175.510 0.390 0.000 1.127 546 N CA 0.016 53.269 53.050 0.338 0.000 0.834 546 N CB 1.044 39.658 38.487 0.212 0.000 1.014 546 N HN -0.016 nan 8.380 nan 0.000 0.491 547 V N 1.536 121.600 119.914 0.251 0.000 2.370 547 V HA 0.152 4.271 4.120 -0.001 0.000 0.283 547 V C 0.493 176.492 176.094 -0.159 0.000 1.023 547 V CA -1.199 61.172 62.300 0.117 0.000 0.857 547 V CB 1.421 33.278 31.823 0.056 0.000 0.985 547 V HN 0.180 nan 8.190 nan 0.000 0.443 548 N N 8.131 126.580 118.700 -0.417 0.000 2.347 548 N HA -0.006 4.733 4.740 -0.001 0.000 0.278 548 N C -1.115 174.140 175.510 -0.426 0.000 1.367 548 N CA -0.991 51.506 53.050 -0.923 0.000 0.898 548 N CB 1.203 39.468 38.487 -0.371 0.000 1.203 548 N HN 0.413 nan 8.380 nan 0.000 0.491 549 P HA -0.061 nan 4.420 nan 0.000 0.233 549 P C 0.716 177.708 177.300 -0.512 0.000 1.167 549 P CA 0.844 63.574 63.100 -0.617 0.000 0.770 549 P CB 0.001 31.081 31.700 -1.034 0.000 0.837 550 F N -0.029 119.890 119.950 -0.051 0.000 2.615 550 F HA 0.103 4.629 4.527 -0.001 0.000 0.297 550 F C 1.061 176.902 175.800 0.070 0.000 1.124 550 F CA 0.168 58.206 58.000 0.063 0.000 1.451 550 F CB -0.882 38.170 39.000 0.087 0.000 1.103 550 F HN -0.159 nan 8.300 nan 0.000 0.569 551 N N 1.291 120.109 118.700 0.196 0.000 2.807 551 N HA 0.043 4.782 4.740 -0.001 0.000 0.259 551 N C -0.729 174.897 175.510 0.193 0.000 1.149 551 N CA 0.304 53.473 53.050 0.198 0.000 1.042 551 N CB -0.403 38.207 38.487 0.206 0.000 1.367 551 N HN 0.249 nan 8.380 nan 0.000 0.516 552 H N 0.583 119.678 119.070 0.041 0.000 3.064 552 H HA 0.040 4.596 4.556 -0.001 0.000 0.352 552 H C 0.634 176.000 175.328 0.063 0.000 1.260 552 H CA -0.365 55.607 56.048 -0.127 0.000 1.160 552 H CB 1.139 30.618 29.762 -0.472 0.000 1.879 552 H HN 0.494 nan 8.280 nan 0.000 0.544 553 H N 2.611 121.681 119.070 -0.001 0.000 2.559 553 H HA 0.099 4.655 4.556 -0.001 0.000 0.273 553 H C 0.308 175.854 175.328 0.363 0.000 1.000 553 H CA 0.304 56.532 56.048 0.301 0.000 1.195 553 H CB 0.261 30.155 29.762 0.220 0.000 1.368 553 H HN 0.350 nan 8.280 nan 0.000 0.592 554 R N 1.059 121.610 120.500 0.085 0.000 2.466 554 R HA 0.042 4.381 4.340 -0.001 0.000 0.279 554 R C 0.084 176.402 176.300 0.030 0.000 0.976 554 R CA -0.270 55.838 56.100 0.013 0.000 1.081 554 R CB 0.119 30.343 30.300 -0.127 0.000 1.215 554 R HN 0.120 nan 8.270 nan 0.000 0.546 555 N N 1.353 120.103 118.700 0.084 0.000 2.415 555 N HA 0.052 4.792 4.740 -0.001 0.000 0.250 555 N C 0.720 176.260 175.510 0.049 0.000 1.127 555 N CA 0.028 53.129 53.050 0.084 0.000 0.945 555 N CB 1.339 39.913 38.487 0.145 0.000 1.196 555 N HN 0.109 nan 8.380 nan 0.000 0.499 556 A N 3.866 126.721 122.820 0.059 0.000 1.908 556 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 556 A C 1.969 179.594 177.584 0.069 0.000 1.181 556 A CA 1.884 53.971 52.037 0.084 0.000 0.627 556 A CB -1.128 17.957 19.000 0.141 0.000 0.818 556 A HN 0.683 nan 8.150 nan 0.000 0.445 557 G N -0.170 108.653 108.800 0.039 0.000 2.459 557 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.217 557 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.217 557 G C 1.507 176.363 174.900 -0.073 0.000 1.183 557 G CA 1.271 46.303 45.100 -0.112 0.000 0.776 557 G HN 0.561 nan 8.290 nan 0.000 0.552 558 L N 0.570 121.782 121.223 -0.019 0.000 2.083 558 L HA 0.089 4.428 4.340 -0.001 0.000 0.209 558 L C 2.711 179.521 176.870 -0.101 0.000 1.083 558 L CA 2.215 57.045 54.840 -0.016 0.000 0.752 558 L CB -0.550 41.541 42.059 0.053 0.000 0.899 558 L HN 0.258 nan 8.230 nan 0.000 0.433 559 R N -1.867 118.499 120.500 -0.223 0.000 2.081 559 R HA -0.253 4.086 4.340 -0.001 0.000 0.235 559 R C 2.419 178.595 176.300 -0.207 0.000 1.131 559 R CA 1.914 57.696 56.100 -0.530 0.000 0.960 559 R CB -0.654 29.303 30.300 -0.572 0.000 0.856 559 R HN 0.539 nan 8.270 nan 0.000 0.436 560 Y N 0.979 121.166 120.300 -0.188 0.000 2.145 560 Y HA -0.185 4.364 4.550 -0.001 0.000 0.286 560 Y C 2.149 177.979 175.900 -0.118 0.000 1.145 560 Y CA 1.859 59.885 58.100 -0.125 0.000 1.148 560 Y CB -0.153 38.185 38.460 -0.204 0.000 0.981 560 Y HN -0.036 nan 8.280 nan 0.000 0.507 561 R N -0.493 119.921 120.500 -0.142 0.000 2.152 561 R HA -0.151 4.188 4.340 -0.001 0.000 0.232 561 R C 2.753 178.975 176.300 -0.131 0.000 1.117 561 R CA 1.307 57.295 56.100 -0.186 0.000 0.981 561 R CB -0.451 29.799 30.300 -0.083 0.000 0.870 561 R HN 0.343 nan 8.270 nan 0.000 0.451 562 S N 0.164 115.823 115.700 -0.069 0.000 2.371 562 S HA -0.058 4.411 4.470 -0.001 0.000 0.224 562 S C 1.819 176.449 174.600 0.051 0.000 1.029 562 S CA 0.879 59.103 58.200 0.040 0.000 0.978 562 S CB 0.081 63.421 63.200 0.233 0.000 0.833 562 S HN 0.206 nan 8.310 nan 0.000 0.466 563 M N 0.588 120.186 119.600 -0.003 0.000 2.476 563 M HA 0.065 4.545 4.480 -0.001 0.000 0.262 563 M C 1.747 177.997 176.300 -0.083 0.000 1.079 563 M CA 0.425 55.732 55.300 0.011 0.000 1.104 563 M CB -0.255 32.354 32.600 0.014 0.000 1.409 563 M HN 0.292 nan 8.290 nan 0.000 0.467 564 L N 0.540 121.633 121.223 -0.215 0.000 2.141 564 L HA -0.085 4.255 4.340 -0.001 0.000 0.209 564 L C 1.944 178.774 176.870 -0.066 0.000 1.094 564 L CA 1.707 56.402 54.840 -0.241 0.000 0.763 564 L CB -0.367 41.464 42.059 -0.381 0.000 0.908 564 L HN 0.278 nan 8.230 nan 0.000 0.437 565 L N -1.809 119.403 121.223 -0.018 0.000 2.162 565 L HA 0.301 4.641 4.340 -0.001 0.000 0.205 565 L C 1.115 178.015 176.870 0.050 0.000 1.086 565 L CA 0.479 55.343 54.840 0.040 0.000 0.778 565 L CB -0.424 41.638 42.059 0.006 0.000 0.928 565 L HN 0.411 nan 8.230 nan 0.000 0.446 566 G N -0.147 108.689 108.800 0.060 0.000 2.346 566 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.294 566 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.294 566 G C -0.556 174.454 174.900 0.183 0.000 1.294 566 G CA -0.034 45.125 45.100 0.098 0.000 0.962 566 G HN 0.074 nan 8.290 nan 0.000 0.508 567 N N -0.110 118.707 118.700 0.194 0.000 2.205 567 N HA 0.310 5.049 4.740 -0.001 0.000 0.201 567 N C 0.792 176.499 175.510 0.328 0.000 1.128 567 N CA 0.816 54.023 53.050 0.260 0.000 0.867 567 N CB 0.992 39.567 38.487 0.147 0.000 0.996 567 N HN 1.055 nan 8.380 nan 0.000 0.503 568 G N 0.766 109.736 108.800 0.285 0.000 2.471 568 G HA2 0.392 4.351 3.960 -0.001 0.000 0.332 568 G HA3 0.392 4.351 3.960 -0.001 0.000 0.332 568 G C 0.785 175.783 174.900 0.163 0.000 1.176 568 G CA -0.882 44.359 45.100 0.235 0.000 0.949 568 G HN 0.242 nan 8.290 nan 0.000 0.488 569 R N -1.117 119.390 120.500 0.012 0.000 2.115 569 R HA 0.014 4.353 4.340 -0.001 0.000 0.226 569 R C -0.363 175.732 176.300 -0.341 0.000 1.100 569 R CA 0.659 56.606 56.100 -0.254 0.000 0.980 569 R CB -0.246 29.817 30.300 -0.394 0.000 0.875 569 R HN 0.370 nan 8.270 nan 0.000 0.445 570 Y N 1.563 121.867 120.300 0.006 0.000 2.425 570 Y HA 0.397 4.946 4.550 -0.001 0.000 0.347 570 Y C -0.465 175.441 175.900 0.010 0.000 0.976 570 Y CA -1.139 56.961 58.100 -0.001 0.000 1.190 570 Y CB 1.611 40.080 38.460 0.014 0.000 1.136 570 Y HN -0.219 nan 8.280 nan 0.000 0.517 571 V N 6.274 126.279 119.914 0.152 0.000 2.482 571 V HA 0.382 4.502 4.120 -0.001 0.000 0.295 571 V C -2.433 173.772 176.094 0.185 0.000 1.026 571 V CA -2.053 60.330 62.300 0.139 0.000 0.856 571 V CB 2.069 33.947 31.823 0.093 0.000 1.001 571 V HN 0.527 nan 8.190 nan 0.000 0.424 572 P HA 0.425 nan 4.420 nan 0.000 0.286 572 P C -1.078 176.299 177.300 0.128 0.000 1.269 572 P CA -0.139 62.988 63.100 0.046 0.000 0.787 572 P CB 1.008 32.709 31.700 0.001 0.000 0.920 573 F N 0.442 120.460 119.950 0.113 0.000 2.579 573 F HA 0.666 5.192 4.527 -0.001 0.000 0.324 573 F C -0.768 175.138 175.800 0.176 0.000 1.058 573 F CA -1.276 56.822 58.000 0.164 0.000 0.944 573 F CB 1.760 40.919 39.000 0.265 0.000 1.245 573 F HN 0.418 nan 8.300 nan 0.000 0.477 574 H N 3.528 122.757 119.070 0.266 0.000 3.181 574 H HA 0.614 5.169 4.556 -0.001 0.000 0.331 574 H C -1.497 173.909 175.328 0.130 0.000 0.988 574 H CA -0.911 55.212 56.048 0.125 0.000 1.449 574 H CB 1.470 31.255 29.762 0.039 0.000 1.749 574 H HN 0.886 nan 8.280 nan 0.000 0.501 575 I N 1.005 121.734 120.570 0.266 0.000 3.002 575 I HA 0.544 4.713 4.170 -0.001 0.000 0.310 575 I C -1.488 174.573 176.117 -0.094 0.000 1.087 575 I CA -1.259 60.011 61.300 -0.050 0.000 1.017 575 I CB 2.618 40.387 38.000 -0.385 0.000 1.226 575 I HN 0.392 nan 8.210 nan 0.000 0.443 576 Q N 2.577 122.282 119.800 -0.160 0.000 2.331 576 Q HA 0.636 4.976 4.340 -0.001 0.000 0.267 576 Q C -1.226 174.876 176.000 0.170 0.000 1.006 576 Q CA -0.559 55.235 55.803 -0.015 0.000 0.818 576 Q CB 2.595 31.073 28.738 -0.432 0.000 1.276 576 Q HN 0.560 nan 8.270 nan 0.000 0.450 577 V N 4.696 124.750 119.914 0.234 0.000 2.417 577 V HA 0.588 4.708 4.120 -0.001 0.000 0.291 577 V C -2.147 174.063 176.094 0.194 0.000 1.024 577 V CA -1.845 60.563 62.300 0.179 0.000 0.861 577 V CB 1.609 33.453 31.823 0.037 0.000 0.985 577 V HN 0.712 nan 8.190 nan 0.000 0.436 578 P HA 0.266 nan 4.420 nan 0.000 0.279 578 P C -1.267 175.881 177.300 -0.255 0.000 1.252 578 P CA -0.614 62.215 63.100 -0.450 0.000 0.811 578 P CB 1.258 32.338 31.700 -1.034 0.000 1.035 579 Q N 1.190 120.841 119.800 -0.248 0.000 2.296 579 Q HA 0.190 4.529 4.340 -0.001 0.000 0.257 579 Q C 0.392 176.256 176.000 -0.226 0.000 0.942 579 Q CA 0.363 56.052 55.803 -0.190 0.000 0.939 579 Q CB 0.856 29.501 28.738 -0.155 0.000 1.198 579 Q HN 0.283 nan 8.270 nan 0.000 0.429 580 K N 3.351 123.638 120.400 -0.189 0.000 2.354 580 K HA 0.139 4.458 4.320 -0.001 0.000 0.194 580 K C -0.269 176.268 176.600 -0.106 0.000 1.038 580 K CA -0.216 55.858 56.287 -0.355 0.000 1.052 580 K CB 0.378 32.451 32.500 -0.713 0.000 0.861 580 K HN 0.456 nan 8.250 nan 0.000 0.535 581 F N 2.903 122.787 119.950 -0.109 0.000 2.571 581 F HA -0.084 4.442 4.527 -0.001 0.000 0.384 581 F C 1.117 176.935 175.800 0.030 0.000 1.058 581 F CA -1.178 56.862 58.000 0.067 0.000 1.200 581 F CB 0.174 39.337 39.000 0.272 0.000 1.077 581 F HN 0.032 nan 8.300 nan 0.000 0.558 582 F N 4.115 123.796 119.950 -0.449 0.000 2.192 582 F HA -0.139 4.387 4.527 -0.001 0.000 0.301 582 F C 1.760 177.321 175.800 -0.398 0.000 1.079 582 F CA 1.277 59.068 58.000 -0.350 0.000 1.303 582 F CB -1.541 37.298 39.000 -0.269 0.000 1.024 582 F HN 0.378 nan 8.300 nan 0.000 0.494 583 A N 1.343 123.250 122.820 -1.521 0.000 2.019 583 A HA 0.008 4.327 4.320 -0.001 0.000 0.219 583 A C 2.192 179.447 177.584 -0.548 0.000 1.164 583 A CA 1.873 53.301 52.037 -1.014 0.000 0.644 583 A CB -1.076 17.509 19.000 -0.691 0.000 0.805 583 A HN 0.785 nan 8.150 nan 0.000 0.449 584 I N -4.080 116.289 120.570 -0.334 0.000 4.439 584 I HA 0.192 4.361 4.170 -0.001 0.000 0.331 584 I C 1.539 177.469 176.117 -0.311 0.000 1.345 584 I CA 0.565 61.697 61.300 -0.280 0.000 1.193 584 I CB 0.047 38.013 38.000 -0.057 0.000 1.221 584 I HN 0.195 nan 8.210 nan 0.000 0.429 585 K N 1.604 121.832 120.400 -0.285 0.000 2.280 585 K HA -0.028 4.292 4.320 -0.001 0.000 0.202 585 K C 0.533 176.999 176.600 -0.223 0.000 1.047 585 K CA 2.080 58.242 56.287 -0.208 0.000 0.942 585 K CB -0.505 31.924 32.500 -0.119 0.000 0.739 585 K HN 0.472 nan 8.250 nan 0.000 0.457 586 N N 0.207 118.687 118.700 -0.367 0.000 2.197 586 N HA 0.130 4.870 4.740 -0.001 0.000 0.228 586 N C -1.069 174.352 175.510 -0.148 0.000 1.212 586 N CA -0.509 52.426 53.050 -0.193 0.000 0.883 586 N CB 0.661 39.135 38.487 -0.021 0.000 1.107 586 N HN 0.021 nan 8.380 nan 0.000 0.519 587 L N 1.704 122.732 121.223 -0.325 0.000 2.453 587 L HA 0.228 4.567 4.340 -0.001 0.000 0.272 587 L C -0.443 176.402 176.870 -0.041 0.000 1.182 587 L CA -0.256 54.526 54.840 -0.097 0.000 0.858 587 L CB 0.418 42.355 42.059 -0.203 0.000 1.120 587 L HN 0.061 nan 8.230 nan 0.000 0.474 588 L N 6.148 127.397 121.223 0.042 0.000 2.282 588 L HA 0.372 4.711 4.340 -0.001 0.000 0.287 588 L C -0.776 176.073 176.870 -0.035 0.000 1.075 588 L CA -0.143 54.694 54.840 -0.003 0.000 0.839 588 L CB 0.650 42.725 42.059 0.026 0.000 1.219 588 L HN 0.640 nan 8.230 nan 0.000 0.434 589 L N 5.863 127.029 121.223 -0.094 0.000 2.319 589 L HA 0.391 4.730 4.340 -0.001 0.000 0.280 589 L C -0.320 176.547 176.870 -0.004 0.000 1.099 589 L CA 0.293 55.052 54.840 -0.135 0.000 0.828 589 L CB 0.650 42.533 42.059 -0.292 0.000 1.150 589 L HN 0.550 nan 8.230 nan 0.000 0.442 590 L N 5.759 127.010 121.223 0.047 0.000 2.454 590 L HA 0.471 4.810 4.340 -0.001 0.000 0.256 590 L C -1.885 175.113 176.870 0.214 0.000 1.136 590 L CA -2.124 52.784 54.840 0.112 0.000 0.804 590 L CB 0.126 42.231 42.059 0.076 0.000 1.181 590 L HN 0.480 nan 8.230 nan 0.000 0.469 591 P HA 0.106 nan 4.420 nan 0.000 0.266 591 P C -0.131 177.246 177.300 0.128 0.000 1.186 591 P CA 0.602 63.786 63.100 0.141 0.000 0.767 591 P CB 0.404 32.145 31.700 0.067 0.000 0.820 592 G N 0.531 109.351 108.800 0.033 0.000 2.361 592 G HA2 0.228 4.187 3.960 -0.001 0.000 0.331 592 G HA3 0.228 4.187 3.960 -0.001 0.000 0.331 592 G C -1.413 173.225 174.900 -0.436 0.000 1.324 592 G CA -0.697 44.273 45.100 -0.216 0.000 0.984 592 G HN 0.374 nan 8.290 nan 0.000 0.586 593 S N -0.292 115.034 115.700 -0.622 0.000 2.482 593 S HA 0.839 5.308 4.470 -0.001 0.000 0.303 593 S C -1.277 172.892 174.600 -0.719 0.000 1.091 593 S CA -0.392 57.528 58.200 -0.467 0.000 1.057 593 S CB 1.122 64.213 63.200 -0.181 0.000 1.031 593 S HN 0.549 nan 8.310 nan 0.000 0.485 594 Y N -0.024 120.288 120.300 0.020 0.000 2.545 594 Y HA 0.464 5.013 4.550 -0.001 0.000 0.348 594 Y C 0.430 176.370 175.900 0.067 0.000 1.002 594 Y CA -1.093 57.026 58.100 0.031 0.000 1.039 594 Y CB 1.293 39.755 38.460 0.002 0.000 1.271 594 Y HN 0.363 nan 8.280 nan 0.000 0.467 595 T N 2.327 117.032 114.554 0.251 0.000 2.743 595 T HA 0.201 4.551 4.350 -0.001 0.000 0.293 595 T C -1.595 173.312 174.700 0.345 0.000 0.945 595 T CA -0.254 61.985 62.100 0.233 0.000 1.030 595 T CB -0.157 68.804 68.868 0.154 0.000 0.912 595 T HN 0.402 nan 8.240 nan 0.000 0.483 596 Y N 3.387 123.819 120.300 0.219 0.000 2.338 596 Y HA 0.512 5.061 4.550 -0.001 0.000 0.328 596 Y C -0.218 175.926 175.900 0.407 0.000 0.965 596 Y CA -1.713 56.556 58.100 0.282 0.000 1.208 596 Y CB 0.863 39.449 38.460 0.209 0.000 1.132 596 Y HN 0.680 nan 8.280 nan 0.000 0.469 597 E N 5.880 126.240 120.200 0.266 0.000 2.293 597 E HA 0.370 4.719 4.350 -0.001 0.000 0.270 597 E C -1.938 174.694 176.600 0.055 0.000 0.879 597 E CA -0.570 55.911 56.400 0.135 0.000 0.756 597 E CB 1.686 31.413 29.700 0.045 0.000 1.208 597 E HN 0.672 nan 8.360 nan 0.000 0.428 598 W N 2.412 123.571 121.300 -0.236 0.000 3.137 598 W HA 0.358 5.017 4.660 -0.001 0.000 0.324 598 W C -1.481 174.796 176.519 -0.403 0.000 1.253 598 W CA -0.551 56.539 57.345 -0.425 0.000 1.183 598 W CB 2.160 31.176 29.460 -0.740 0.000 1.424 598 W HN 0.544 nan 8.180 nan 0.000 0.566 599 N N 1.708 120.160 118.700 -0.414 0.000 2.405 599 N HA 0.575 5.315 4.740 -0.001 0.000 0.299 599 N C -1.310 174.134 175.510 -0.109 0.000 1.075 599 N CA -0.150 52.828 53.050 -0.120 0.000 0.884 599 N CB 1.226 39.611 38.487 -0.170 0.000 1.194 599 N HN -0.002 nan 8.380 nan 0.000 0.491 600 F N -0.055 120.033 119.950 0.230 0.000 2.522 600 F HA 0.537 5.063 4.527 -0.001 0.000 0.324 600 F C 1.016 176.951 175.800 0.225 0.000 1.077 600 F CA -0.895 57.162 58.000 0.096 0.000 0.944 600 F CB 1.424 40.321 39.000 -0.172 0.000 1.175 600 F HN 0.026 nan 8.300 nan 0.000 0.468 601 R N 1.130 121.749 120.500 0.198 0.000 2.528 601 R HA 0.412 4.751 4.340 -0.001 0.000 0.271 601 R C 0.301 176.880 176.300 0.465 0.000 1.056 601 R CA -0.600 55.632 56.100 0.220 0.000 1.117 601 R CB 1.148 31.410 30.300 -0.063 0.000 1.085 601 R HN 0.688 nan 8.270 nan 0.000 0.530 602 K N 0.192 120.848 120.400 0.426 0.000 2.440 602 K HA 0.025 4.345 4.320 -0.001 0.000 0.207 602 K C -0.434 176.317 176.600 0.251 0.000 1.112 602 K CA -0.101 56.394 56.287 0.347 0.000 1.036 602 K CB 0.584 33.260 32.500 0.292 0.000 0.935 602 K HN 0.474 nan 8.250 nan 0.000 0.564 603 D N 1.972 122.553 120.400 0.302 0.000 2.412 603 D HA -0.049 4.590 4.640 -0.001 0.000 0.257 603 D C 1.384 177.799 176.300 0.192 0.000 1.217 603 D CA -0.045 54.133 54.000 0.296 0.000 0.897 603 D CB 1.294 42.306 40.800 0.353 0.000 1.132 603 D HN -0.043 nan 8.370 nan 0.000 0.493 604 V N 2.440 122.435 119.914 0.136 0.000 2.469 604 V HA -0.214 3.905 4.120 -0.001 0.000 0.251 604 V C 1.619 177.747 176.094 0.057 0.000 1.064 604 V CA 1.366 63.702 62.300 0.060 0.000 1.066 604 V CB -0.624 31.205 31.823 0.010 0.000 0.667 604 V HN 0.408 nan 8.190 nan 0.000 0.461 605 N N -0.310 118.448 118.700 0.096 0.000 2.512 605 N HA 0.041 4.781 4.740 -0.001 0.000 0.183 605 N C 1.524 177.165 175.510 0.218 0.000 1.073 605 N CA 1.331 54.440 53.050 0.098 0.000 0.911 605 N CB -0.061 38.472 38.487 0.077 0.000 0.964 605 N HN 0.466 nan 8.380 nan 0.000 0.447 606 M N -0.659 119.057 119.600 0.194 0.000 2.718 606 M HA 0.090 4.570 4.480 -0.001 0.000 0.259 606 M C 2.069 178.456 176.300 0.145 0.000 1.240 606 M CA 0.606 56.006 55.300 0.167 0.000 1.210 606 M CB -0.718 31.942 32.600 0.100 0.000 1.281 606 M HN -0.007 nan 8.290 nan 0.000 0.515 607 V N -1.369 118.639 119.914 0.157 0.000 2.719 607 V HA 0.105 4.225 4.120 -0.001 0.000 0.252 607 V C 1.162 177.357 176.094 0.169 0.000 1.065 607 V CA 0.606 63.040 62.300 0.222 0.000 1.086 607 V CB -0.652 31.351 31.823 0.301 0.000 0.700 607 V HN 0.195 nan 8.190 nan 0.000 0.467 608 L N 0.664 121.905 121.223 0.031 0.000 2.332 608 L HA 0.638 4.977 4.340 -0.001 0.000 0.269 608 L C -0.364 176.478 176.870 -0.046 0.000 1.016 608 L CA -0.415 54.370 54.840 -0.091 0.000 0.809 608 L CB 1.760 43.704 42.059 -0.191 0.000 1.280 608 L HN 0.275 nan 8.230 nan 0.000 0.447 609 Q N 1.036 120.795 119.800 -0.069 0.000 2.331 609 Q HA 0.507 4.846 4.340 -0.001 0.000 0.272 609 Q C -1.521 174.455 176.000 -0.039 0.000 1.062 609 Q CA -0.558 55.216 55.803 -0.047 0.000 0.806 609 Q CB 2.488 31.226 28.738 -0.001 0.000 1.312 609 Q HN 0.760 nan 8.270 nan 0.000 0.431 610 S N 0.779 116.452 115.700 -0.046 0.000 2.566 610 S HA 0.381 4.851 4.470 -0.001 0.000 0.298 610 S C 0.600 175.232 174.600 0.054 0.000 1.083 610 S CA -0.103 58.104 58.200 0.012 0.000 0.978 610 S CB 1.698 64.884 63.200 -0.023 0.000 1.073 610 S HN 0.727 nan 8.310 nan 0.000 0.491 611 S N 1.090 116.873 115.700 0.139 0.000 2.461 611 S HA 0.001 4.470 4.470 -0.001 0.000 0.228 611 S C 1.338 176.040 174.600 0.170 0.000 1.005 611 S CA 0.227 58.539 58.200 0.187 0.000 0.942 611 S CB -0.529 62.849 63.200 0.296 0.000 0.776 611 S HN 0.511 nan 8.310 nan 0.000 0.514 612 L N 1.466 122.760 121.223 0.118 0.000 2.307 612 L HA 0.401 4.740 4.340 -0.001 0.000 0.211 612 L C 1.940 178.853 176.870 0.071 0.000 1.099 612 L CA 1.310 56.212 54.840 0.104 0.000 0.816 612 L CB -1.011 41.103 42.059 0.091 0.000 0.952 612 L HN 0.575 nan 8.230 nan 0.000 0.455 613 G N -0.258 108.534 108.800 -0.013 0.000 2.143 613 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.249 613 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.249 613 G C 0.307 175.147 174.900 -0.099 0.000 0.981 613 G CA 0.401 45.408 45.100 -0.154 0.000 0.665 613 G HN 0.559 nan 8.290 nan 0.000 0.528 614 N N 0.706 119.391 118.700 -0.025 0.000 2.415 614 N HA 0.232 4.971 4.740 -0.001 0.000 0.248 614 N C -0.428 175.052 175.510 -0.049 0.000 1.271 614 N CA -0.133 52.917 53.050 0.001 0.000 0.913 614 N CB 0.664 39.190 38.487 0.065 0.000 1.129 614 N HN 0.105 nan 8.380 nan 0.000 0.444 615 D N 0.938 121.318 120.400 -0.033 0.000 2.346 615 D HA 0.027 4.667 4.640 -0.001 0.000 0.267 615 D C 1.017 177.295 176.300 -0.036 0.000 1.320 615 D CA -0.114 53.855 54.000 -0.051 0.000 0.951 615 D CB 0.109 40.890 40.800 -0.032 0.000 1.079 615 D HN 0.473 nan 8.370 nan 0.000 0.509 616 L N 3.803 124.995 121.223 -0.052 0.000 2.465 616 L HA -0.046 4.294 4.340 -0.001 0.000 0.224 616 L C 2.388 179.250 176.870 -0.013 0.000 1.145 616 L CA 0.370 55.186 54.840 -0.041 0.000 0.834 616 L CB -0.041 41.982 42.059 -0.060 0.000 0.944 616 L HN 0.276 nan 8.230 nan 0.000 0.451 617 R N -0.778 119.726 120.500 0.007 0.000 2.093 617 R HA -0.029 4.311 4.340 -0.001 0.000 0.224 617 R C 2.146 178.463 176.300 0.028 0.000 1.101 617 R CA 0.854 56.977 56.100 0.038 0.000 0.979 617 R CB -0.329 30.016 30.300 0.074 0.000 0.877 617 R HN 0.184 nan 8.270 nan 0.000 0.441 618 V N 1.554 121.479 119.914 0.017 0.000 2.535 618 V HA -0.105 4.014 4.120 -0.001 0.000 0.246 618 V C 0.795 176.896 176.094 0.012 0.000 1.045 618 V CA 1.433 63.743 62.300 0.017 0.000 1.058 618 V CB -0.198 31.632 31.823 0.013 0.000 0.689 618 V HN 0.165 nan 8.190 nan 0.000 0.461 619 D N 0.722 121.124 120.400 0.004 0.000 2.519 619 D HA 0.228 4.867 4.640 -0.001 0.000 0.238 619 D C 1.562 177.850 176.300 -0.020 0.000 1.192 619 D CA 0.845 54.843 54.000 -0.003 0.000 0.835 619 D CB -0.167 40.630 40.800 -0.004 0.000 0.975 619 D HN 0.454 nan 8.370 nan 0.000 0.490 620 G N 0.631 109.426 108.800 -0.008 0.000 2.225 620 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.267 620 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.267 620 G C 0.550 175.436 174.900 -0.023 0.000 1.024 620 G CA 0.348 45.442 45.100 -0.009 0.000 0.784 620 G HN 0.591 nan 8.290 nan 0.000 0.507 621 A N -0.491 122.307 122.820 -0.036 0.000 2.302 621 A HA 0.937 5.256 4.320 -0.001 0.000 0.285 621 A C 0.616 178.177 177.584 -0.039 0.000 1.105 621 A CA 0.728 52.729 52.037 -0.060 0.000 0.816 621 A CB 1.110 20.058 19.000 -0.087 0.000 1.067 621 A HN 2.125 nan 8.150 nan 0.000 0.489 622 S N 0.565 116.236 115.700 -0.049 0.000 2.547 622 S HA 0.689 5.158 4.470 -0.001 0.000 0.270 622 S C -0.977 173.587 174.600 -0.059 0.000 1.150 622 S CA -0.538 57.640 58.200 -0.038 0.000 0.850 622 S CB 0.847 64.038 63.200 -0.015 0.000 1.118 622 S HN 1.346 nan 8.310 nan 0.000 0.461 623 I N 1.303 121.818 120.570 -0.091 0.000 2.686 623 I HA 0.683 4.853 4.170 -0.001 0.000 0.295 623 I C -1.869 174.079 176.117 -0.282 0.000 1.114 623 I CA -0.861 60.352 61.300 -0.145 0.000 1.038 623 I CB 2.049 39.932 38.000 -0.195 0.000 1.238 623 I HN 1.002 nan 8.210 nan 0.000 0.420 624 K N 5.344 125.569 120.400 -0.291 0.000 2.482 624 K HA 0.485 4.804 4.320 -0.001 0.000 0.251 624 K C -1.967 174.393 176.600 -0.401 0.000 0.936 624 K CA -0.598 55.485 56.287 -0.341 0.000 0.791 624 K CB 1.642 34.051 32.500 -0.152 0.000 1.213 624 K HN 0.240 nan 8.250 nan 0.000 0.428 625 F N 2.603 122.456 119.950 -0.163 0.000 2.391 625 F HA 0.212 4.739 4.527 -0.001 0.000 0.359 625 F C 0.841 176.440 175.800 -0.334 0.000 1.122 625 F CA -0.667 57.120 58.000 -0.355 0.000 1.120 625 F CB 1.082 39.610 39.000 -0.787 0.000 1.142 625 F HN 0.657 nan 8.300 nan 0.000 0.483 626 D N 0.734 121.074 120.400 -0.101 0.000 2.144 626 D HA -0.015 4.624 4.640 -0.001 0.000 0.207 626 D C 0.669 176.953 176.300 -0.026 0.000 0.970 626 D CA 1.137 55.094 54.000 -0.071 0.000 0.853 626 D CB 0.279 41.010 40.800 -0.115 0.000 1.007 626 D HN 0.461 nan 8.370 nan 0.000 0.469 627 S N -0.552 115.114 115.700 -0.058 0.000 2.564 627 S HA 0.640 5.109 4.470 -0.001 0.000 0.274 627 S C -0.903 173.696 174.600 -0.001 0.000 1.124 627 S CA -0.954 57.248 58.200 0.003 0.000 0.869 627 S CB 2.513 65.712 63.200 -0.001 0.000 1.105 627 S HN 0.140 nan 8.310 nan 0.000 0.472 628 I N 1.456 122.084 120.570 0.096 0.000 2.548 628 I HA 0.643 4.812 4.170 -0.001 0.000 0.287 628 I C -1.412 174.932 176.117 0.378 0.000 1.103 628 I CA -0.332 61.059 61.300 0.151 0.000 1.049 628 I CB 0.927 38.944 38.000 0.029 0.000 1.232 628 I HN 0.961 nan 8.210 nan 0.000 0.429 629 C N 5.710 125.239 119.300 0.380 0.000 2.822 629 C HA 0.740 5.200 4.460 -0.001 0.000 0.341 629 C C -0.605 174.501 174.990 0.194 0.000 1.301 629 C CA -0.660 58.594 59.018 0.394 0.000 1.706 629 C CB 1.763 29.639 27.740 0.226 0.000 2.178 629 C HN 0.686 nan 8.230 nan 0.000 0.481 630 L N 1.270 122.431 121.223 -0.103 0.000 2.356 630 L HA 0.629 4.969 4.340 -0.001 0.000 0.277 630 L C -1.529 175.202 176.870 -0.232 0.000 0.996 630 L CA 0.022 54.646 54.840 -0.360 0.000 0.822 630 L CB 0.596 42.172 42.059 -0.806 0.000 1.256 630 L HN 0.644 nan 8.230 nan 0.000 0.413 631 Y N 3.567 123.607 120.300 -0.433 0.000 2.446 631 Y HA 0.827 5.376 4.550 -0.001 0.000 0.338 631 Y C 0.149 175.845 175.900 -0.339 0.000 1.055 631 Y CA -0.292 57.568 58.100 -0.399 0.000 1.101 631 Y CB 2.264 40.282 38.460 -0.736 0.000 1.221 631 Y HN 0.756 nan 8.280 nan 0.000 0.460 632 A N 1.563 124.426 122.820 0.071 0.000 2.427 632 A HA 0.713 5.032 4.320 -0.001 0.000 0.298 632 A C -1.102 176.526 177.584 0.073 0.000 1.036 632 A CA -0.683 51.354 52.037 0.001 0.000 0.701 632 A CB 1.077 20.098 19.000 0.035 0.000 1.250 632 A HN 0.590 nan 8.150 nan 0.000 0.412 633 T N 2.408 116.939 114.554 -0.037 0.000 2.779 633 T HA 0.621 4.970 4.350 -0.001 0.000 0.280 633 T C -1.050 173.635 174.700 -0.025 0.000 0.987 633 T CA 0.164 62.322 62.100 0.098 0.000 0.966 633 T CB 0.056 69.011 68.868 0.144 0.000 0.933 633 T HN 0.327 nan 8.240 nan 0.000 0.442 634 F N 2.523 122.549 119.950 0.127 0.000 2.427 634 F HA 0.485 5.012 4.527 -0.001 0.000 0.346 634 F C 0.166 176.068 175.800 0.171 0.000 1.120 634 F CA -1.726 56.364 58.000 0.149 0.000 1.033 634 F CB 0.752 39.830 39.000 0.130 0.000 1.126 634 F HN 0.516 nan 8.300 nan 0.000 0.462 635 F N 6.722 126.802 119.950 0.216 0.000 2.578 635 F HA 0.222 4.748 4.527 -0.001 0.000 0.381 635 F C -1.507 174.401 175.800 0.180 0.000 1.069 635 F CA -2.206 55.888 58.000 0.157 0.000 1.231 635 F CB 0.630 39.699 39.000 0.115 0.000 1.086 635 F HN 0.270 nan 8.300 nan 0.000 0.564 636 P HA -0.046 nan 4.420 nan 0.000 0.238 636 P C -0.099 177.272 177.300 0.118 0.000 1.714 636 P CA 0.075 63.168 63.100 -0.012 0.000 0.908 636 P CB -0.283 31.335 31.700 -0.136 0.000 1.893 637 M N 1.244 121.116 119.600 0.454 0.000 2.251 637 M HA 0.189 4.668 4.480 -0.001 0.000 0.343 637 M C 0.304 176.809 176.300 0.341 0.000 1.245 637 M CA -0.084 55.525 55.300 0.514 0.000 1.061 637 M CB 0.527 33.402 32.600 0.458 0.000 1.723 637 M HN 0.139 nan 8.290 nan 0.000 0.449 638 A N 3.918 126.897 122.820 0.265 0.000 2.567 638 A HA -0.020 4.300 4.320 -0.001 0.000 0.240 638 A C 0.481 178.233 177.584 0.280 0.000 1.053 638 A CA -0.101 52.048 52.037 0.187 0.000 0.755 638 A CB -0.096 18.990 19.000 0.145 0.000 0.978 638 A HN 1.015 nan 8.150 nan 0.000 0.507 639 H N 2.236 121.355 119.070 0.081 0.000 2.422 639 H HA -0.150 4.405 4.556 -0.001 0.000 0.298 639 H C 2.023 177.387 175.328 0.060 0.000 1.098 639 H CA 2.086 58.174 56.048 0.067 0.000 1.315 639 H CB -0.053 29.739 29.762 0.050 0.000 1.382 639 H HN 0.890 nan 8.280 nan 0.000 0.523 640 N N -0.068 118.742 118.700 0.183 0.000 2.331 640 N HA -0.079 4.660 4.740 -0.001 0.000 0.180 640 N C 1.402 176.970 175.510 0.097 0.000 1.019 640 N CA 1.325 54.444 53.050 0.114 0.000 0.881 640 N CB -0.580 37.959 38.487 0.087 0.000 0.972 640 N HN 0.196 nan 8.380 nan 0.000 0.435 641 T N 0.830 115.452 114.554 0.114 0.000 2.851 641 T HA 0.183 4.533 4.350 -0.001 0.000 0.262 641 T C 2.124 176.876 174.700 0.086 0.000 1.043 641 T CA 1.216 63.372 62.100 0.094 0.000 1.140 641 T CB -0.333 68.600 68.868 0.107 0.000 0.872 641 T HN 0.463 nan 8.240 nan 0.000 0.446 642 A N 1.178 124.065 122.820 0.112 0.000 1.902 642 A HA -0.097 4.222 4.320 -0.001 0.000 0.217 642 A C 2.548 180.166 177.584 0.056 0.000 1.181 642 A CA 2.093 54.184 52.037 0.089 0.000 0.623 642 A CB -1.071 17.991 19.000 0.103 0.000 0.818 642 A HN 0.440 nan 8.150 nan 0.000 0.443 643 S N -0.959 114.774 115.700 0.054 0.000 2.368 643 S HA -0.151 4.318 4.470 -0.001 0.000 0.225 643 S C 2.057 176.677 174.600 0.034 0.000 1.030 643 S CA 2.273 60.495 58.200 0.038 0.000 0.999 643 S CB -0.591 62.635 63.200 0.042 0.000 0.844 643 S HN 0.632 nan 8.310 nan 0.000 0.459 644 T N 2.575 117.153 114.554 0.039 0.000 2.777 644 T HA -0.030 4.320 4.350 -0.001 0.000 0.266 644 T C 1.700 176.414 174.700 0.023 0.000 1.040 644 T CA 1.336 63.453 62.100 0.030 0.000 1.141 644 T CB -0.503 68.384 68.868 0.032 0.000 0.868 644 T HN 0.324 nan 8.240 nan 0.000 0.444 645 L N 1.623 122.861 121.223 0.025 0.000 2.046 645 L HA -0.051 4.289 4.340 -0.001 0.000 0.208 645 L C 2.471 179.349 176.870 0.014 0.000 1.077 645 L CA 1.979 56.829 54.840 0.016 0.000 0.747 645 L CB -0.749 41.319 42.059 0.015 0.000 0.896 645 L HN 0.329 nan 8.230 nan 0.000 0.432 646 E N -0.371 119.841 120.200 0.021 0.000 2.038 646 E HA -0.288 4.061 4.350 -0.001 0.000 0.195 646 E C 2.078 178.681 176.600 0.005 0.000 1.000 646 E CA 1.485 57.895 56.400 0.017 0.000 0.803 646 E CB -0.309 29.404 29.700 0.023 0.000 0.750 646 E HN 0.584 nan 8.360 nan 0.000 0.448 647 A N 1.069 123.894 122.820 0.007 0.000 1.917 647 A HA -0.224 4.095 4.320 -0.001 0.000 0.219 647 A C 2.279 179.862 177.584 -0.002 0.000 1.182 647 A CA 2.165 54.203 52.037 0.001 0.000 0.633 647 A CB -0.613 18.392 19.000 0.009 0.000 0.819 647 A HN 0.390 nan 8.150 nan 0.000 0.448 648 M N -0.758 118.843 119.600 0.003 0.000 2.132 648 M HA -0.034 4.445 4.480 -0.001 0.000 0.263 648 M C 1.896 178.196 176.300 -0.000 0.000 1.065 648 M CA 1.211 56.512 55.300 0.002 0.000 1.122 648 M CB -0.488 32.113 32.600 0.002 0.000 1.365 648 M HN 0.313 nan 8.290 nan 0.000 0.411 649 L N -0.459 120.763 121.223 -0.002 0.000 2.465 649 L HA -0.081 4.259 4.340 -0.001 0.000 0.224 649 L C 2.173 179.035 176.870 -0.013 0.000 1.145 649 L CA 0.606 55.444 54.840 -0.003 0.000 0.834 649 L CB -0.488 41.570 42.059 -0.001 0.000 0.944 649 L HN 0.281 nan 8.230 nan 0.000 0.451 650 R N -0.316 120.166 120.500 -0.031 0.000 2.310 650 R HA 0.067 4.406 4.340 -0.001 0.000 0.202 650 R C 0.318 176.594 176.300 -0.040 0.000 0.933 650 R CA -0.104 55.946 56.100 -0.083 0.000 1.054 650 R CB -0.091 30.142 30.300 -0.112 0.000 0.985 650 R HN 0.344 nan 8.270 nan 0.000 0.489 651 N N 1.656 120.368 118.700 0.020 0.000 2.444 651 N HA -0.042 4.697 4.740 -0.001 0.000 0.271 651 N C 0.116 175.702 175.510 0.126 0.000 1.069 651 N CA 0.014 53.102 53.050 0.063 0.000 0.965 651 N CB 1.421 39.925 38.487 0.028 0.000 1.092 651 N HN 0.163 nan 8.380 nan 0.000 0.476 652 D N 1.083 121.591 120.400 0.179 0.000 2.182 652 D HA -0.197 4.443 4.640 -0.001 0.000 0.201 652 D C 1.539 177.839 176.300 -0.001 0.000 0.986 652 D CA 1.349 55.379 54.000 0.050 0.000 0.847 652 D CB -0.204 40.455 40.800 -0.234 0.000 0.942 652 D HN 0.427 nan 8.370 nan 0.000 0.467 653 T N -0.782 113.773 114.554 0.002 0.000 2.833 653 T HA -0.143 4.207 4.350 -0.001 0.000 0.269 653 T C 1.110 175.804 174.700 -0.011 0.000 1.054 653 T CA 1.182 63.274 62.100 -0.013 0.000 1.135 653 T CB -0.408 68.455 68.868 -0.009 0.000 0.869 653 T HN 0.086 nan 8.240 nan 0.000 0.466 654 N N 1.859 120.562 118.700 0.005 0.000 2.279 654 N HA 0.129 4.868 4.740 -0.001 0.000 0.226 654 N C -0.743 174.766 175.510 -0.001 0.000 1.126 654 N CA -0.100 52.947 53.050 -0.005 0.000 0.846 654 N CB 0.078 38.563 38.487 -0.002 0.000 1.050 654 N HN 0.477 nan 8.380 nan 0.000 0.502 655 D N 1.518 121.926 120.400 0.013 0.000 2.472 655 D HA 0.002 4.641 4.640 -0.001 0.000 0.237 655 D C 0.742 177.012 176.300 -0.051 0.000 1.141 655 D CA 0.678 54.692 54.000 0.024 0.000 0.875 655 D CB 1.043 41.859 40.800 0.027 0.000 1.192 655 D HN 0.156 nan 8.370 nan 0.000 0.450 656 Q N 0.295 120.056 119.800 -0.065 0.000 2.312 656 Q HA 0.518 4.858 4.340 -0.001 0.000 0.236 656 Q C -0.266 175.548 176.000 -0.310 0.000 0.965 656 Q CA -0.487 55.189 55.803 -0.212 0.000 0.894 656 Q CB 1.247 29.905 28.738 -0.133 0.000 1.225 656 Q HN 0.508 nan 8.270 nan 0.000 0.478 657 S N 0.333 115.645 115.700 -0.645 0.000 2.537 657 S HA 0.785 5.254 4.470 -0.001 0.000 0.270 657 S C -1.333 172.787 174.600 -0.799 0.000 1.142 657 S CA -0.837 57.069 58.200 -0.490 0.000 0.870 657 S CB 0.884 63.953 63.200 -0.218 0.000 1.112 657 S HN 0.426 nan 8.310 nan 0.000 0.466 658 F N 0.997 120.958 119.950 0.018 0.000 2.664 658 F HA 0.679 5.205 4.527 -0.001 0.000 0.317 658 F C -0.104 175.819 175.800 0.206 0.000 1.108 658 F CA -0.773 57.282 58.000 0.091 0.000 0.957 658 F CB 1.746 40.792 39.000 0.076 0.000 1.365 658 F HN 0.874 nan 8.300 nan 0.000 0.475 659 N N -0.343 118.612 118.700 0.426 0.000 2.242 659 N HA 0.262 5.001 4.740 -0.001 0.000 0.292 659 N C -2.125 173.389 175.510 0.006 0.000 1.125 659 N CA -0.589 52.587 53.050 0.209 0.000 0.783 659 N CB 2.389 40.927 38.487 0.085 0.000 1.558 659 N HN 0.628 nan 8.380 nan 0.000 0.472 660 D N 0.394 120.402 120.400 -0.652 0.000 2.351 660 D HA 0.050 4.689 4.640 -0.001 0.000 0.251 660 D C 0.977 177.120 176.300 -0.261 0.000 1.137 660 D CA -0.222 53.357 54.000 -0.701 0.000 0.879 660 D CB 0.603 40.721 40.800 -1.136 0.000 1.181 660 D HN 0.483 nan 8.370 nan 0.000 0.448 661 Y N 3.740 123.931 120.300 -0.182 0.000 2.081 661 Y HA -0.224 4.325 4.550 -0.001 0.000 0.280 661 Y C 1.784 177.586 175.900 -0.164 0.000 1.163 661 Y CA 1.650 59.670 58.100 -0.133 0.000 1.135 661 Y CB -0.304 38.101 38.460 -0.093 0.000 0.970 661 Y HN 0.548 nan 8.280 nan 0.000 0.498 662 L N 0.550 121.760 121.223 -0.022 0.000 2.127 662 L HA -0.138 4.202 4.340 -0.001 0.000 0.211 662 L C 1.219 177.950 176.870 -0.232 0.000 1.089 662 L CA 1.849 56.627 54.840 -0.104 0.000 0.757 662 L CB -0.815 41.218 42.059 -0.044 0.000 0.899 662 L HN 0.249 nan 8.230 nan 0.000 0.434 663 S N -0.089 115.454 115.700 -0.262 0.000 3.356 663 S HA -0.002 4.467 4.470 -0.001 0.000 0.376 663 S C 0.028 174.494 174.600 -0.223 0.000 0.924 663 S CA 0.472 58.503 58.200 -0.283 0.000 1.316 663 S CB -1.468 61.513 63.200 -0.366 0.000 0.922 663 S HN 0.945 nan 8.310 nan 0.000 0.553 664 A N 0.737 123.471 122.820 -0.144 0.000 2.612 664 A HA 0.853 5.172 4.320 -0.001 0.000 0.293 664 A C -0.481 177.090 177.584 -0.021 0.000 1.075 664 A CA -0.073 51.912 52.037 -0.086 0.000 0.680 664 A CB 1.028 19.973 19.000 -0.093 0.000 1.279 664 A HN 1.489 nan 8.150 nan 0.000 0.411 665 A N 1.723 124.533 122.820 -0.016 0.000 2.276 665 A HA 0.607 4.926 4.320 -0.001 0.000 0.300 665 A C -0.267 177.380 177.584 0.105 0.000 1.235 665 A CA -0.570 51.452 52.037 -0.024 0.000 0.867 665 A CB -0.054 18.770 19.000 -0.295 0.000 1.137 665 A HN 0.668 nan 8.150 nan 0.000 0.527 666 N N 3.030 121.828 118.700 0.163 0.000 2.438 666 N HA 0.489 5.229 4.740 -0.001 0.000 0.282 666 N C -0.910 174.745 175.510 0.243 0.000 1.037 666 N CA -0.140 53.095 53.050 0.308 0.000 0.942 666 N CB 1.431 40.147 38.487 0.382 0.000 1.136 666 N HN 0.518 nan 8.380 nan 0.000 0.481 667 M N 2.655 122.428 119.600 0.288 0.000 2.393 667 M HA 0.458 4.938 4.480 -0.001 0.000 0.299 667 M C -0.763 175.473 176.300 -0.107 0.000 1.103 667 M CA -0.442 54.872 55.300 0.023 0.000 0.910 667 M CB 1.831 34.465 32.600 0.057 0.000 1.659 667 M HN 0.239 nan 8.290 nan 0.000 0.445 668 L N 3.322 124.339 121.223 -0.344 0.000 2.333 668 L HA 0.572 4.911 4.340 -0.001 0.000 0.280 668 L C -1.493 175.108 176.870 -0.448 0.000 1.004 668 L CA -0.675 53.997 54.840 -0.280 0.000 0.820 668 L CB 1.504 43.424 42.059 -0.232 0.000 1.247 668 L HN 0.552 nan 8.230 nan 0.000 0.416 669 Y N 2.868 123.194 120.300 0.043 0.000 2.376 669 Y HA 0.440 4.989 4.550 -0.001 0.000 0.340 669 Y C -2.245 173.650 175.900 -0.008 0.000 0.965 669 Y CA -2.872 55.241 58.100 0.021 0.000 1.078 669 Y CB 1.450 39.921 38.460 0.018 0.000 1.193 669 Y HN 0.388 nan 8.280 nan 0.000 0.452 670 P HA 0.210 nan 4.420 nan 0.000 0.271 670 P C -0.596 176.731 177.300 0.047 0.000 1.216 670 P CA 0.214 63.348 63.100 0.057 0.000 0.776 670 P CB 0.714 32.438 31.700 0.041 0.000 0.881 671 I N 4.388 124.965 120.570 0.012 0.000 2.563 671 I HA 0.241 4.411 4.170 -0.001 0.000 0.276 671 I C -2.132 173.975 176.117 -0.017 0.000 1.074 671 I CA -2.593 58.701 61.300 -0.010 0.000 1.124 671 I CB 1.749 39.725 38.000 -0.039 0.000 1.225 671 I HN 0.147 nan 8.210 nan 0.000 0.482 672 P HA -0.012 nan 4.420 nan 0.000 0.267 672 P C 0.054 177.343 177.300 -0.018 0.000 1.201 672 P CA -0.123 62.969 63.100 -0.013 0.000 0.775 672 P CB 0.754 32.450 31.700 -0.008 0.000 0.854 673 A N 2.780 125.590 122.820 -0.017 0.000 2.561 673 A HA -0.039 4.281 4.320 -0.001 0.000 0.234 673 A C 1.160 178.736 177.584 -0.014 0.000 1.055 673 A CA 0.421 52.449 52.037 -0.015 0.000 0.756 673 A CB -0.960 18.033 19.000 -0.010 0.000 0.986 673 A HN 0.737 nan 8.150 nan 0.000 0.505 674 N N -1.681 117.010 118.700 -0.015 0.000 2.815 674 N HA -0.219 4.520 4.740 -0.001 0.000 0.247 674 N C 0.323 175.823 175.510 -0.017 0.000 1.030 674 N CA 1.449 54.491 53.050 -0.013 0.000 0.881 674 N CB -1.945 36.539 38.487 -0.005 0.000 1.134 674 N HN 1.291 nan 8.380 nan 0.000 0.582 675 A N -0.355 122.451 122.820 -0.022 0.000 2.332 675 A HA 0.572 4.891 4.320 -0.001 0.000 0.258 675 A C 1.237 178.801 177.584 -0.033 0.000 1.087 675 A CA 0.912 52.935 52.037 -0.022 0.000 0.802 675 A CB 0.535 19.523 19.000 -0.020 0.000 1.042 675 A HN 0.199 nan 8.150 nan 0.000 0.489 676 T N 0.249 114.787 114.554 -0.027 0.000 3.010 676 T HA 0.116 4.465 4.350 -0.001 0.000 0.252 676 T C 0.503 175.189 174.700 -0.023 0.000 0.963 676 T CA 0.233 62.313 62.100 -0.033 0.000 0.952 676 T CB -0.101 68.752 68.868 -0.025 0.000 1.182 676 T HN 0.672 nan 8.240 nan 0.000 0.495 677 N N 1.527 120.220 118.700 -0.012 0.000 2.421 677 N HA 0.459 5.199 4.740 -0.001 0.000 0.285 677 N C -1.400 174.115 175.510 0.009 0.000 1.027 677 N CA -0.205 52.845 53.050 0.000 0.000 0.918 677 N CB 1.222 39.706 38.487 -0.004 0.000 1.152 677 N HN -0.131 nan 8.380 nan 0.000 0.485 678 V N 5.709 125.646 119.914 0.037 0.000 2.385 678 V HA 0.456 4.575 4.120 -0.001 0.000 0.277 678 V C -2.310 173.822 176.094 0.062 0.000 1.012 678 V CA -1.176 61.146 62.300 0.037 0.000 0.832 678 V CB 1.208 33.041 31.823 0.016 0.000 1.028 678 V HN 0.693 nan 8.190 nan 0.000 0.436 679 P HA 0.624 nan 4.420 nan 0.000 0.296 679 P C -0.862 176.403 177.300 -0.058 0.000 1.301 679 P CA -0.496 62.600 63.100 -0.006 0.000 0.862 679 P CB 2.432 34.125 31.700 -0.012 0.000 1.046 680 I N -1.091 119.431 120.570 -0.081 0.000 2.608 680 I HA 0.671 4.841 4.170 -0.001 0.000 0.295 680 I C -0.936 175.165 176.117 -0.027 0.000 1.049 680 I CA -0.899 60.300 61.300 -0.168 0.000 1.063 680 I CB 2.536 40.252 38.000 -0.472 0.000 1.248 680 I HN 0.179 nan 8.210 nan 0.000 0.424 681 S N 6.606 122.323 115.700 0.029 0.000 2.552 681 S HA 0.643 5.112 4.470 -0.001 0.000 0.314 681 S C -0.773 173.914 174.600 0.145 0.000 1.099 681 S CA -0.682 57.568 58.200 0.083 0.000 1.070 681 S CB 1.052 64.292 63.200 0.066 0.000 0.998 681 S HN 0.510 nan 8.310 nan 0.000 0.474 682 I N 6.161 126.847 120.570 0.194 0.000 2.330 682 I HA 0.391 4.560 4.170 -0.001 0.000 0.289 682 I C -2.268 173.966 176.117 0.194 0.000 1.001 682 I CA -2.579 58.860 61.300 0.232 0.000 1.193 682 I CB 0.853 39.090 38.000 0.395 0.000 1.345 682 I HN 0.414 nan 8.210 nan 0.000 0.461 683 P HA -0.010 nan 4.420 nan 0.000 0.267 683 P C 0.208 177.556 177.300 0.080 0.000 1.200 683 P CA 0.028 63.177 63.100 0.082 0.000 0.772 683 P CB 0.511 32.233 31.700 0.036 0.000 0.855 684 S N 2.858 118.615 115.700 0.096 0.000 2.931 684 S HA -0.027 4.442 4.470 -0.001 0.000 0.342 684 S C 0.246 174.846 174.600 0.001 0.000 1.220 684 S CA 0.425 58.688 58.200 0.104 0.000 1.045 684 S CB -0.622 62.614 63.200 0.062 0.000 0.758 684 S HN 0.521 nan 8.310 nan 0.000 0.508 685 R N 3.471 123.965 120.500 -0.010 0.000 2.762 685 R HA 0.437 4.776 4.340 -0.001 0.000 0.271 685 R C -1.140 174.998 176.300 -0.271 0.000 1.038 685 R CA -1.149 54.789 56.100 -0.269 0.000 0.906 685 R CB 0.510 30.434 30.300 -0.626 0.000 1.259 685 R HN 0.519 nan 8.270 nan 0.000 0.457 686 N N -0.071 118.399 118.700 -0.382 0.000 2.479 686 N HA 0.154 4.894 4.740 -0.001 0.000 0.285 686 N C -0.835 174.432 175.510 -0.406 0.000 1.075 686 N CA -0.358 52.574 53.050 -0.196 0.000 0.967 686 N CB 0.762 39.184 38.487 -0.109 0.000 1.137 686 N HN 0.595 nan 8.380 nan 0.000 0.472 687 W N 1.972 123.289 121.300 0.028 0.000 2.846 687 W HA 0.425 5.084 4.660 -0.001 0.000 0.391 687 W C 0.735 177.319 176.519 0.108 0.000 1.011 687 W CA -0.434 56.896 57.345 -0.025 0.000 1.832 687 W CB -0.118 29.237 29.460 -0.176 0.000 1.151 687 W HN 0.499 nan 8.180 nan 0.000 0.582 688 A N 1.098 124.088 122.820 0.284 0.000 2.567 688 A HA 0.378 4.697 4.320 -0.001 0.000 0.240 688 A C 1.548 179.288 177.584 0.260 0.000 1.053 688 A CA 1.193 53.386 52.037 0.261 0.000 0.755 688 A CB -0.097 19.001 19.000 0.163 0.000 0.978 688 A HN 1.211 nan 8.150 nan 0.000 0.507 689 A N 1.423 124.414 122.820 0.284 0.000 3.172 689 A HA -0.191 4.128 4.320 -0.001 0.000 0.263 689 A C 0.344 178.182 177.584 0.425 0.000 1.215 689 A CA 0.869 53.102 52.037 0.327 0.000 1.065 689 A CB -2.593 16.544 19.000 0.229 0.000 1.148 689 A HN 1.995 nan 8.150 nan 0.000 0.904 690 F N 1.331 121.409 119.950 0.214 0.000 2.602 690 F HA 0.394 4.920 4.527 -0.001 0.000 0.385 690 F C 1.309 177.145 175.800 0.059 0.000 1.063 690 F CA 0.565 58.614 58.000 0.082 0.000 1.233 690 F CB 0.373 39.317 39.000 -0.093 0.000 1.067 690 F HN 0.253 nan 8.300 nan 0.000 0.564 691 R N 3.091 123.221 120.500 -0.616 0.000 2.189 691 R HA 0.395 4.734 4.340 -0.001 0.000 0.203 691 R C 0.744 176.581 176.300 -0.771 0.000 1.012 691 R CA 0.341 56.120 56.100 -0.535 0.000 1.015 691 R CB 0.053 30.063 30.300 -0.483 0.000 0.938 691 R HN 0.918 nan 8.270 nan 0.000 0.472 692 G N -0.817 107.005 108.800 -1.630 0.000 2.350 692 G HA2 0.000 3.959 3.960 -0.001 0.000 0.282 692 G HA3 0.000 3.959 3.960 -0.001 0.000 0.282 692 G C -1.855 172.431 174.900 -1.023 0.000 1.314 692 G CA -0.971 43.380 45.100 -1.249 0.000 0.915 692 G HN 0.015 nan 8.290 nan 0.000 0.499 693 W N -0.012 121.145 121.300 -0.239 0.000 2.781 693 W HA 0.764 5.423 4.660 -0.001 0.000 0.345 693 W C 0.151 176.591 176.519 -0.131 0.000 1.085 693 W CA -0.231 57.027 57.345 -0.145 0.000 1.198 693 W CB 2.398 31.835 29.460 -0.038 0.000 1.423 693 W HN 1.251 nan 8.180 nan 0.000 0.532 694 A N 2.678 125.549 122.820 0.085 0.000 2.515 694 A HA 0.956 5.275 4.320 -0.001 0.000 0.298 694 A C -1.659 175.887 177.584 -0.063 0.000 1.059 694 A CA -0.544 51.423 52.037 -0.115 0.000 0.698 694 A CB 1.811 20.670 19.000 -0.235 0.000 1.289 694 A HN 0.676 nan 8.150 nan 0.000 0.404 695 F N -1.089 118.730 119.950 -0.218 0.000 2.741 695 F HA 0.857 5.383 4.527 -0.001 0.000 0.311 695 F C -0.313 175.288 175.800 -0.333 0.000 1.149 695 F CA -0.073 57.752 58.000 -0.291 0.000 0.930 695 F CB 1.141 40.045 39.000 -0.160 0.000 1.312 695 F HN 1.054 nan 8.300 nan 0.000 0.450 696 T N -1.122 113.435 114.554 0.006 0.000 2.648 696 T HA 0.621 4.970 4.350 -0.001 0.000 0.304 696 T C -1.717 173.259 174.700 0.460 0.000 1.312 696 T CA -1.175 60.984 62.100 0.098 0.000 1.023 696 T CB 2.165 70.835 68.868 -0.330 0.000 1.612 696 T HN 1.090 nan 8.240 nan 0.000 0.487 697 R N -0.164 120.572 120.500 0.393 0.000 2.686 697 R HA 0.813 5.153 4.340 -0.001 0.000 0.286 697 R C -1.495 174.879 176.300 0.124 0.000 0.969 697 R CA -0.916 55.314 56.100 0.217 0.000 0.898 697 R CB 1.233 31.527 30.300 -0.010 0.000 1.183 697 R HN 0.695 nan 8.270 nan 0.000 0.456 698 L N 2.265 123.549 121.223 0.102 0.000 2.333 698 L HA 0.563 4.902 4.340 -0.001 0.000 0.263 698 L C -0.442 176.441 176.870 0.021 0.000 1.014 698 L CA -1.162 53.732 54.840 0.090 0.000 0.820 698 L CB 2.245 44.389 42.059 0.142 0.000 1.352 698 L HN 0.474 nan 8.230 nan 0.000 0.421 699 K N 0.009 120.425 120.400 0.025 0.000 2.201 699 K HA 0.267 4.586 4.320 -0.001 0.000 0.278 699 K C 0.488 177.079 176.600 -0.015 0.000 1.027 699 K CA -0.375 55.913 56.287 0.001 0.000 0.909 699 K CB 1.717 34.229 32.500 0.019 0.000 1.062 699 K HN 0.573 nan 8.250 nan 0.000 0.465 700 T N 1.974 116.513 114.554 -0.024 0.000 2.833 700 T HA -0.172 4.178 4.350 -0.001 0.000 0.269 700 T C 2.196 176.887 174.700 -0.014 0.000 1.054 700 T CA 1.911 63.996 62.100 -0.025 0.000 1.135 700 T CB -0.046 68.807 68.868 -0.025 0.000 0.869 700 T HN 0.730 nan 8.240 nan 0.000 0.466 701 K N 1.570 121.939 120.400 -0.052 0.000 2.283 701 K HA -0.026 4.293 4.320 -0.001 0.000 0.202 701 K C 1.620 178.099 176.600 -0.201 0.000 1.048 701 K CA 1.126 57.358 56.287 -0.092 0.000 0.948 701 K CB -0.555 31.862 32.500 -0.138 0.000 0.742 701 K HN 0.654 nan 8.250 nan 0.000 0.458 702 E N 0.056 120.114 120.200 -0.236 0.000 2.501 702 E HA 0.084 4.434 4.350 -0.001 0.000 0.200 702 E C -0.578 176.110 176.600 0.146 0.000 1.016 702 E CA -0.112 56.114 56.400 -0.289 0.000 0.921 702 E CB 0.844 30.340 29.700 -0.340 0.000 1.034 702 E HN 0.270 nan 8.360 nan 0.000 0.468 703 T N 3.884 118.509 114.554 0.118 0.000 3.060 703 T HA 0.218 4.567 4.350 -0.001 0.000 0.367 703 T C -2.335 172.297 174.700 -0.114 0.000 1.229 703 T CA -1.445 60.655 62.100 -0.001 0.000 1.104 703 T CB 1.211 70.019 68.868 -0.100 0.000 1.083 703 T HN 0.023 nan 8.240 nan 0.000 0.524 704 P HA 0.106 nan 4.420 nan 0.000 0.270 704 P C -0.173 176.908 177.300 -0.364 0.000 1.227 704 P CA -0.325 62.364 63.100 -0.686 0.000 0.788 704 P CB 0.700 31.741 31.700 -1.099 0.000 0.926 705 S N 0.973 116.499 115.700 -0.290 0.000 2.464 705 S HA 0.206 4.675 4.470 -0.001 0.000 0.313 705 S C 1.222 175.727 174.600 -0.160 0.000 1.078 705 S CA -0.756 57.332 58.200 -0.187 0.000 1.096 705 S CB -1.069 62.066 63.200 -0.109 0.000 1.032 705 S HN 0.296 nan 8.310 nan 0.000 0.498 706 L N 4.151 125.290 121.223 -0.139 0.000 2.552 706 L HA 0.163 4.502 4.340 -0.001 0.000 0.227 706 L C 2.329 179.191 176.870 -0.014 0.000 1.146 706 L CA 0.440 55.251 54.840 -0.049 0.000 0.858 706 L CB -0.538 41.523 42.059 0.003 0.000 0.969 706 L HN 0.762 nan 8.230 nan 0.000 0.451 707 G N 0.153 108.927 108.800 -0.044 0.000 3.028 707 G HA2 0.029 3.989 3.960 -0.001 0.000 0.205 707 G HA3 0.029 3.989 3.960 -0.001 0.000 0.205 707 G C 0.379 175.267 174.900 -0.019 0.000 1.182 707 G CA 0.676 45.761 45.100 -0.025 0.000 0.860 707 G HN 0.458 nan 8.290 nan 0.000 0.507 708 S N -3.577 112.115 115.700 -0.014 0.000 2.587 708 S HA 0.505 4.974 4.470 -0.001 0.000 0.269 708 S C 0.884 175.495 174.600 0.018 0.000 1.154 708 S CA 0.042 58.232 58.200 -0.016 0.000 0.824 708 S CB 1.118 64.293 63.200 -0.042 0.000 1.118 708 S HN 0.330 nan 8.310 nan 0.000 0.462 709 G N -0.548 108.254 108.800 0.002 0.000 2.534 709 G HA2 0.205 4.165 3.960 -0.001 0.000 0.217 709 G HA3 0.205 4.165 3.960 -0.001 0.000 0.217 709 G C -0.159 174.711 174.900 -0.050 0.000 1.128 709 G CA 0.892 46.037 45.100 0.075 0.000 0.784 709 G HN 0.914 nan 8.290 nan 0.000 0.542 710 Y N -0.249 119.820 120.300 -0.385 0.000 2.436 710 Y HA 0.413 4.962 4.550 -0.001 0.000 0.327 710 Y C -2.125 173.630 175.900 -0.242 0.000 1.138 710 Y CA -1.698 56.152 58.100 -0.417 0.000 1.042 710 Y CB 1.944 39.893 38.460 -0.852 0.000 1.302 710 Y HN -0.075 nan 8.280 nan 0.000 0.439 711 D N 8.151 128.139 120.400 -0.686 0.000 2.412 711 D HA 0.314 4.954 4.640 -0.001 0.000 0.224 711 D C -1.840 174.070 176.300 -0.651 0.000 1.093 711 D CA -2.289 51.419 54.000 -0.486 0.000 0.850 711 D CB 1.996 42.615 40.800 -0.302 0.000 1.046 711 D HN 0.396 nan 8.370 nan 0.000 0.507 712 P HA -0.137 nan 4.420 nan 0.000 0.220 712 P C 0.529 177.616 177.300 -0.355 0.000 1.148 712 P CA 0.830 63.656 63.100 -0.456 0.000 0.803 712 P CB 0.109 31.492 31.700 -0.527 0.000 0.782 713 Y N -2.459 117.824 120.300 -0.028 0.000 2.461 713 Y HA 0.182 4.731 4.550 -0.001 0.000 0.277 713 Y C 0.848 176.784 175.900 0.061 0.000 1.182 713 Y CA -0.992 57.115 58.100 0.012 0.000 1.276 713 Y CB -1.144 37.322 38.460 0.010 0.000 1.087 713 Y HN -0.098 nan 8.280 nan 0.000 0.519 714 Y N 2.346 122.634 120.300 -0.019 0.000 2.556 714 Y HA 0.274 4.824 4.550 -0.001 0.000 0.352 714 Y C 0.754 176.668 175.900 0.023 0.000 1.006 714 Y CA -1.252 56.844 58.100 -0.005 0.000 1.277 714 Y CB 0.296 38.711 38.460 -0.075 0.000 1.136 714 Y HN 0.119 nan 8.280 nan 0.000 0.523 715 T N 3.109 117.549 114.554 -0.191 0.000 3.316 715 T HA 0.257 4.606 4.350 -0.001 0.000 0.253 715 T C -1.005 173.583 174.700 -0.187 0.000 0.995 715 T CA -0.440 61.561 62.100 -0.166 0.000 1.031 715 T CB -0.835 68.006 68.868 -0.046 0.000 1.125 715 T HN 0.482 nan 8.240 nan 0.000 0.539 716 Y N 1.000 120.911 120.300 -0.647 0.000 2.534 716 Y HA 0.593 5.142 4.550 -0.001 0.000 0.345 716 Y C 0.014 175.664 175.900 -0.417 0.000 1.031 716 Y CA -0.892 56.936 58.100 -0.454 0.000 1.022 716 Y CB 2.284 40.512 38.460 -0.387 0.000 1.292 716 Y HN 0.178 nan 8.280 nan 0.000 0.459 717 S N 1.810 117.004 115.700 -0.843 0.000 3.031 717 S HA 0.455 4.924 4.470 -0.001 0.000 0.253 717 S C 0.340 174.536 174.600 -0.672 0.000 0.996 717 S CA -0.033 57.818 58.200 -0.581 0.000 1.098 717 S CB -0.146 62.890 63.200 -0.272 0.000 1.042 717 S HN 1.000 nan 8.310 nan 0.000 0.593 718 G N 2.133 110.078 108.800 -1.425 0.000 2.504 718 G HA2 0.504 4.463 3.960 -0.001 0.000 0.257 718 G HA3 0.504 4.463 3.960 -0.001 0.000 0.257 718 G C 0.156 174.981 174.900 -0.124 0.000 1.451 718 G CA -0.114 44.641 45.100 -0.575 0.000 1.059 718 G HN 0.746 nan 8.290 nan 0.000 0.550 719 S N -1.389 114.405 115.700 0.157 0.000 2.584 719 S HA 0.378 4.847 4.470 -0.001 0.000 0.270 719 S C -0.048 174.742 174.600 0.316 0.000 1.346 719 S CA -0.313 57.991 58.200 0.173 0.000 1.018 719 S CB 0.811 64.078 63.200 0.112 0.000 0.899 719 S HN 0.390 nan 8.310 nan 0.000 0.542 720 I N 2.432 123.133 120.570 0.217 0.000 2.621 720 I HA 0.269 4.438 4.170 -0.001 0.000 0.276 720 I C -2.046 174.153 176.117 0.137 0.000 1.118 720 I CA -2.253 59.205 61.300 0.263 0.000 1.159 720 I CB 1.503 39.657 38.000 0.257 0.000 1.357 720 I HN 0.447 nan 8.210 nan 0.000 0.513 721 P HA -0.291 nan 4.420 nan 0.000 0.220 721 P C 1.540 178.836 177.300 -0.006 0.000 1.155 721 P CA 1.680 64.744 63.100 -0.060 0.000 0.880 721 P CB 0.037 31.860 31.700 0.206 0.000 0.790 722 Y N -0.141 120.219 120.300 0.101 0.000 2.193 722 Y HA -0.198 4.351 4.550 -0.001 0.000 0.285 722 Y C 1.931 177.867 175.900 0.059 0.000 1.166 722 Y CA 1.640 59.792 58.100 0.086 0.000 1.181 722 Y CB -0.754 37.658 38.460 -0.081 0.000 0.976 722 Y HN -0.127 nan 8.280 nan 0.000 0.520 723 L N -0.748 120.491 121.223 0.026 0.000 2.357 723 L HA 0.049 4.388 4.340 -0.001 0.000 0.211 723 L C 1.457 178.273 176.870 -0.090 0.000 1.075 723 L CA 1.017 55.829 54.840 -0.047 0.000 0.830 723 L CB -0.247 41.865 42.059 0.088 0.000 0.996 723 L HN 0.219 nan 8.230 nan 0.000 0.467 724 D N -1.336 118.989 120.400 -0.124 0.000 2.379 724 D HA 0.114 4.753 4.640 -0.001 0.000 0.208 724 D C 1.405 177.500 176.300 -0.341 0.000 1.065 724 D CA 0.657 54.554 54.000 -0.172 0.000 0.848 724 D CB 0.472 41.204 40.800 -0.112 0.000 0.949 724 D HN 0.148 nan 8.370 nan 0.000 0.509 725 G N 0.462 108.898 108.800 -0.607 0.000 2.141 725 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.242 725 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.242 725 G C 0.714 175.061 174.900 -0.921 0.000 0.982 725 G CA 0.505 44.995 45.100 -1.018 0.000 0.662 725 G HN 0.662 nan 8.290 nan 0.000 0.527 726 T N -0.229 113.869 114.554 -0.760 0.000 3.624 726 T HA 0.549 4.898 4.350 -0.001 0.000 0.231 726 T C 0.616 175.209 174.700 -0.178 0.000 0.865 726 T CA -0.520 61.107 62.100 -0.788 0.000 0.926 726 T CB -0.625 67.544 68.868 -1.163 0.000 1.189 726 T HN 0.277 nan 8.240 nan 0.000 0.640 727 F N 2.526 122.595 119.950 0.199 0.000 2.553 727 F HA 0.308 4.835 4.527 -0.001 0.000 0.356 727 F C 1.034 177.130 175.800 0.492 0.000 1.142 727 F CA -1.027 57.144 58.000 0.285 0.000 1.322 727 F CB 0.094 39.180 39.000 0.143 0.000 1.126 727 F HN 0.514 nan 8.300 nan 0.000 0.599 728 Y N -1.086 119.498 120.300 0.473 0.000 3.024 728 Y HA 0.469 5.018 4.550 -0.001 0.000 0.283 728 Y C -0.375 175.757 175.900 0.387 0.000 1.040 728 Y CA -0.454 57.898 58.100 0.420 0.000 1.283 728 Y CB -0.913 37.794 38.460 0.412 0.000 1.367 728 Y HN 0.382 nan 8.280 nan 0.000 0.589 729 L N 0.914 122.097 121.223 -0.066 0.000 3.066 729 L HA 0.332 4.671 4.340 -0.001 0.000 0.265 729 L C 0.890 177.720 176.870 -0.066 0.000 1.232 729 L CA -0.087 54.634 54.840 -0.198 0.000 1.031 729 L CB 0.100 41.957 42.059 -0.337 0.000 1.379 729 L HN 0.173 nan 8.230 nan 0.000 0.563 730 N N 0.492 119.304 118.700 0.186 0.000 2.453 730 N HA -0.153 4.587 4.740 -0.001 0.000 0.183 730 N C 1.688 177.647 175.510 0.748 0.000 1.041 730 N CA 0.981 54.253 53.050 0.370 0.000 0.900 730 N CB -0.086 38.279 38.487 -0.204 0.000 0.961 730 N HN 0.580 nan 8.380 nan 0.000 0.443 731 H N -0.687 118.620 119.070 0.395 0.000 2.548 731 H HA 0.097 4.652 4.556 -0.001 0.000 0.268 731 H C 1.231 176.617 175.328 0.098 0.000 0.975 731 H CA 1.214 57.335 56.048 0.122 0.000 1.195 731 H CB -0.706 28.910 29.762 -0.244 0.000 1.397 731 H HN 0.126 nan 8.280 nan 0.000 0.572 732 T N -1.979 112.406 114.554 -0.281 0.000 3.148 732 T HA 0.085 4.434 4.350 -0.001 0.000 0.253 732 T C 0.200 174.787 174.700 -0.188 0.000 1.134 732 T CA -0.392 61.547 62.100 -0.269 0.000 1.051 732 T CB -0.844 67.769 68.868 -0.425 0.000 0.959 732 T HN 0.021 nan 8.240 nan 0.000 0.525 733 F N 1.479 121.489 119.950 0.099 0.000 2.394 733 F HA 0.516 5.043 4.527 -0.001 0.000 0.340 733 F C 1.522 177.303 175.800 -0.032 0.000 1.105 733 F CA -0.923 57.122 58.000 0.074 0.000 1.124 733 F CB 1.642 40.742 39.000 0.168 0.000 1.145 733 F HN -0.157 nan 8.300 nan 0.000 0.505 734 K N 1.841 122.295 120.400 0.091 0.000 2.225 734 K HA 0.161 4.480 4.320 -0.001 0.000 0.204 734 K C -0.132 176.418 176.600 -0.083 0.000 1.047 734 K CA 0.432 56.720 56.287 0.002 0.000 0.970 734 K CB 0.493 32.989 32.500 -0.005 0.000 0.939 734 K HN 0.616 nan 8.250 nan 0.000 0.472 735 K N -0.475 119.879 120.400 -0.077 0.000 2.615 735 K HA 0.464 4.783 4.320 -0.001 0.000 0.291 735 K C -1.422 175.058 176.600 -0.200 0.000 1.017 735 K CA -0.960 55.231 56.287 -0.160 0.000 0.882 735 K CB 2.065 34.498 32.500 -0.111 0.000 1.522 735 K HN -0.202 nan 8.250 nan 0.000 0.412 736 V N 0.053 119.812 119.914 -0.259 0.000 2.711 736 V HA 0.679 4.798 4.120 -0.001 0.000 0.304 736 V C -1.160 174.777 176.094 -0.262 0.000 1.097 736 V CA -0.672 61.343 62.300 -0.474 0.000 0.906 736 V CB 1.537 32.919 31.823 -0.733 0.000 1.015 736 V HN 0.974 nan 8.190 nan 0.000 0.427 737 A N 5.980 128.600 122.820 -0.333 0.000 2.318 737 A HA 0.944 5.263 4.320 -0.001 0.000 0.324 737 A C -0.792 176.634 177.584 -0.264 0.000 1.170 737 A CA -0.495 51.427 52.037 -0.192 0.000 0.810 737 A CB 0.768 19.674 19.000 -0.157 0.000 1.198 737 A HN 0.785 nan 8.150 nan 0.000 0.484 738 I N 2.119 122.600 120.570 -0.149 0.000 2.418 738 I HA 0.420 4.590 4.170 -0.001 0.000 0.287 738 I C -0.431 175.602 176.117 -0.140 0.000 1.008 738 I CA -0.203 60.950 61.300 -0.246 0.000 1.104 738 I CB 2.366 40.204 38.000 -0.269 0.000 1.264 738 I HN 0.554 nan 8.210 nan 0.000 0.438 739 T N 5.502 119.915 114.554 -0.236 0.000 2.886 739 T HA 0.556 4.905 4.350 -0.001 0.000 0.292 739 T C -0.794 173.774 174.700 -0.220 0.000 1.012 739 T CA -0.441 61.584 62.100 -0.124 0.000 0.982 739 T CB 1.310 70.153 68.868 -0.043 0.000 1.018 739 T HN 0.071 nan 8.240 nan 0.000 0.451 740 F N 2.357 122.354 119.950 0.079 0.000 2.436 740 F HA 0.337 4.863 4.527 -0.001 0.000 0.340 740 F C 0.866 176.728 175.800 0.105 0.000 1.113 740 F CA -0.879 57.157 58.000 0.061 0.000 1.022 740 F CB 0.972 40.004 39.000 0.054 0.000 1.128 740 F HN 0.613 nan 8.300 nan 0.000 0.466 741 D N 1.665 122.266 120.400 0.336 0.000 2.772 741 D HA -0.225 4.414 4.640 -0.001 0.000 0.233 741 D C 0.520 176.915 176.300 0.158 0.000 1.143 741 D CA 1.142 55.289 54.000 0.245 0.000 0.700 741 D CB -1.298 39.664 40.800 0.269 0.000 1.076 741 D HN 0.818 nan 8.370 nan 0.000 0.430 742 S N -2.464 113.309 115.700 0.122 0.000 3.447 742 S HA -0.264 4.205 4.470 -0.001 0.000 0.371 742 S C 0.682 175.329 174.600 0.077 0.000 0.951 742 S CA 1.713 59.960 58.200 0.078 0.000 1.269 742 S CB -1.365 61.874 63.200 0.066 0.000 0.919 742 S HN 0.868 nan 8.310 nan 0.000 0.516 743 S N -1.124 114.631 115.700 0.091 0.000 6.009 743 S HA 0.106 4.575 4.470 -0.001 0.000 0.104 743 S C -0.113 174.546 174.600 0.100 0.000 1.171 743 S CA 0.376 58.625 58.200 0.082 0.000 1.364 743 S CB -0.378 62.871 63.200 0.083 0.000 1.747 743 S HN 1.181 nan 8.310 nan 0.000 0.498 744 V N 3.895 123.899 119.914 0.150 0.000 2.403 744 V HA 0.428 4.547 4.120 -0.001 0.000 0.265 744 V C 0.446 176.675 176.094 0.223 0.000 1.034 744 V CA 0.312 62.724 62.300 0.186 0.000 1.036 744 V CB 0.461 32.427 31.823 0.239 0.000 1.032 744 V HN 0.533 nan 8.190 nan 0.000 0.478 745 S N 5.887 121.681 115.700 0.156 0.000 2.528 745 S HA 0.314 4.784 4.470 -0.001 0.000 0.277 745 S C -0.769 173.973 174.600 0.236 0.000 1.297 745 S CA -0.540 57.745 58.200 0.142 0.000 1.052 745 S CB 0.202 63.430 63.200 0.047 0.000 0.917 745 S HN 0.651 nan 8.310 nan 0.000 0.492 746 W N 6.795 128.169 121.300 0.123 0.000 2.551 746 W HA 0.514 5.173 4.660 -0.001 0.000 0.330 746 W C -1.862 174.777 176.519 0.201 0.000 1.063 746 W CA -2.150 55.338 57.345 0.240 0.000 1.222 746 W CB 1.689 31.397 29.460 0.414 0.000 1.349 746 W HN 0.537 nan 8.180 nan 0.000 0.536 747 P HA 0.118 nan 4.420 nan 0.000 0.245 747 P C 0.910 177.911 177.300 -0.499 0.000 1.206 747 P CA 1.276 63.592 63.100 -1.306 0.000 0.781 747 P CB 0.488 31.282 31.700 -1.509 0.000 0.994 748 G N 1.994 110.627 108.800 -0.278 0.000 2.596 748 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.295 748 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.295 748 G C 0.471 175.268 174.900 -0.173 0.000 1.240 748 G CA 0.447 45.452 45.100 -0.160 0.000 0.985 748 G HN 0.327 nan 8.290 nan 0.000 0.555 749 N N 0.445 119.076 118.700 -0.114 0.000 2.661 749 N HA -0.224 4.516 4.740 -0.001 0.000 0.249 749 N C 0.677 176.126 175.510 -0.102 0.000 1.142 749 N CA 2.407 55.395 53.050 -0.104 0.000 0.727 749 N CB -0.786 37.626 38.487 -0.126 0.000 1.099 749 N HN 1.387 nan 8.380 nan 0.000 0.558 750 D N -1.708 118.631 120.400 -0.101 0.000 2.837 750 D HA -0.217 4.423 4.640 -0.001 0.000 0.230 750 D C 1.234 177.476 176.300 -0.097 0.000 1.152 750 D CA 1.208 55.154 54.000 -0.090 0.000 0.736 750 D CB -0.135 40.627 40.800 -0.064 0.000 1.084 750 D HN 0.370 nan 8.370 nan 0.000 0.429 751 R N -0.453 119.973 120.500 -0.124 0.000 2.057 751 R HA 0.079 4.419 4.340 -0.001 0.000 0.229 751 R C 1.171 177.424 176.300 -0.080 0.000 1.136 751 R CA 0.713 56.752 56.100 -0.100 0.000 0.952 751 R CB -0.290 29.932 30.300 -0.130 0.000 0.848 751 R HN 0.331 nan 8.270 nan 0.000 0.430 752 L N 1.083 122.227 121.223 -0.132 0.000 2.421 752 L HA 0.152 4.492 4.340 -0.001 0.000 0.263 752 L C 1.938 178.704 176.870 -0.173 0.000 1.122 752 L CA -0.393 54.355 54.840 -0.153 0.000 0.804 752 L CB 0.504 42.415 42.059 -0.247 0.000 1.150 752 L HN -0.003 nan 8.230 nan 0.000 0.457 753 L N 0.451 121.536 121.223 -0.229 0.000 2.191 753 L HA -0.089 4.250 4.340 -0.001 0.000 0.212 753 L C 0.936 177.640 176.870 -0.277 0.000 1.103 753 L CA 1.105 55.736 54.840 -0.348 0.000 0.769 753 L CB -0.534 41.096 42.059 -0.715 0.000 0.908 753 L HN 0.794 nan 8.230 nan 0.000 0.438 754 T N -4.318 110.106 114.554 -0.218 0.000 3.241 754 T HA 0.271 4.621 4.350 -0.001 0.000 0.387 754 T C -1.591 173.011 174.700 -0.164 0.000 1.451 754 T CA -1.746 60.275 62.100 -0.132 0.000 1.363 754 T CB 0.960 69.776 68.868 -0.087 0.000 1.074 754 T HN -0.101 nan 8.240 nan 0.000 0.598 755 P HA -0.229 nan 4.420 nan 0.000 0.217 755 P C 1.396 178.589 177.300 -0.178 0.000 1.148 755 P CA 1.820 64.820 63.100 -0.166 0.000 0.834 755 P CB -0.181 31.450 31.700 -0.115 0.000 0.783 756 N N 0.154 118.774 118.700 -0.134 0.000 2.463 756 N HA -0.015 4.724 4.740 -0.001 0.000 0.181 756 N C 0.796 176.226 175.510 -0.134 0.000 1.078 756 N CA 0.762 53.744 53.050 -0.113 0.000 0.902 756 N CB -0.283 nan 38.487 nan 0.000 0.970 756 N HN 0.578 nan 8.380 nan 0.000 0.451 757 E N -2.480 117.607 120.200 -0.188 0.000 2.416 757 E HA 0.476 4.826 4.350 -0.001 0.000 0.280 757 E C -1.875 174.577 176.600 -0.246 0.000 1.055 757 E CA -0.910 55.389 56.400 -0.169 0.000 0.825 757 E CB 0.415 30.054 29.700 -0.102 0.000 1.312 757 E HN 0.028 nan 8.360 nan 0.000 0.452 758 F N 1.174 121.060 119.950 -0.107 0.000 2.390 758 F HA 0.277 4.803 4.527 -0.001 0.000 0.361 758 F C 0.326 176.017 175.800 -0.182 0.000 1.124 758 F CA -0.248 57.708 58.000 -0.073 0.000 1.149 758 F CB 1.214 40.219 39.000 0.008 0.000 1.160 758 F HN 0.338 nan 8.300 nan 0.000 0.501 759 E N 4.144 124.336 120.200 -0.014 0.000 2.115 759 E HA 0.256 4.605 4.350 -0.001 0.000 0.282 759 E C 0.796 177.283 176.600 -0.188 0.000 0.987 759 E CA -0.161 56.184 56.400 -0.092 0.000 0.797 759 E CB 1.076 30.756 29.700 -0.033 0.000 1.086 759 E HN 0.671 nan 8.360 nan 0.000 0.397 760 I N 3.387 123.687 120.570 -0.449 0.000 2.277 760 I HA -0.129 4.040 4.170 -0.001 0.000 0.243 760 I C 0.751 176.725 176.117 -0.238 0.000 1.094 760 I CA 1.051 61.863 61.300 -0.813 0.000 1.393 760 I CB -0.013 37.349 38.000 -1.064 0.000 1.078 760 I HN 0.375 nan 8.210 nan 0.000 0.417 761 K N 0.801 121.172 120.400 -0.048 0.000 2.527 761 K HA 0.651 4.971 4.320 -0.001 0.000 0.260 761 K C -1.030 175.623 176.600 0.089 0.000 0.937 761 K CA -0.856 55.507 56.287 0.127 0.000 0.826 761 K CB 2.195 34.871 32.500 0.294 0.000 1.359 761 K HN -0.110 nan 8.250 nan 0.000 0.434 762 R N 0.935 121.503 120.500 0.113 0.000 2.711 762 R HA 0.468 4.807 4.340 -0.001 0.000 0.284 762 R C -0.122 176.230 176.300 0.087 0.000 0.968 762 R CA -0.623 55.530 56.100 0.088 0.000 0.924 762 R CB 1.933 32.291 30.300 0.096 0.000 1.162 762 R HN 0.960 nan 8.270 nan 0.000 0.465 763 S N 0.838 116.575 115.700 0.063 0.000 2.593 763 S HA 0.114 4.584 4.470 -0.001 0.000 0.269 763 S C 1.453 176.083 174.600 0.049 0.000 1.334 763 S CA -0.631 57.602 58.200 0.055 0.000 1.015 763 S CB 0.458 63.681 63.200 0.038 0.000 0.912 763 S HN 0.401 nan 8.310 nan 0.000 0.541 764 V N 1.903 121.845 119.914 0.046 0.000 2.592 764 V HA -0.299 3.820 4.120 -0.001 0.000 0.262 764 V C 2.656 178.761 176.094 0.018 0.000 1.108 764 V CA 2.654 64.974 62.300 0.034 0.000 1.121 764 V CB -2.008 29.831 31.823 0.027 0.000 0.689 764 V HN 0.973 nan 8.190 nan 0.000 0.479 765 D N -0.279 120.130 120.400 0.015 0.000 2.263 765 D HA 0.070 4.709 4.640 -0.001 0.000 0.208 765 D C 1.733 178.028 176.300 -0.009 0.000 0.971 765 D CA 1.203 55.204 54.000 0.002 0.000 0.867 765 D CB -0.195 40.608 40.800 0.005 0.000 0.929 765 D HN 0.641 nan 8.370 nan 0.000 0.492 766 G N -0.770 108.032 108.800 0.002 0.000 4.543 766 G HA2 0.311 4.271 3.960 -0.001 0.000 0.286 766 G HA3 0.311 4.271 3.960 -0.001 0.000 0.286 766 G C 0.778 175.672 174.900 -0.009 0.000 1.112 766 G CA 0.103 45.192 45.100 -0.018 0.000 0.870 766 G HN 0.108 nan 8.290 nan 0.000 0.540 767 E N 1.246 121.445 120.200 -0.002 0.000 2.136 767 E HA -0.186 4.164 4.350 -0.001 0.000 0.202 767 E C 2.614 179.216 176.600 0.004 0.000 1.019 767 E CA 1.480 57.890 56.400 0.017 0.000 0.819 767 E CB -0.535 29.172 29.700 0.011 0.000 0.739 767 E HN 0.419 nan 8.360 nan 0.000 0.458 768 G N 0.347 109.105 108.800 -0.070 0.000 2.679 768 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.222 768 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.222 768 G C 1.119 176.010 174.900 -0.015 0.000 1.164 768 G CA 1.460 46.487 45.100 -0.121 0.000 0.769 768 G HN 0.305 nan 8.290 nan 0.000 0.610 769 Y N 1.562 121.882 120.300 0.032 0.000 2.502 769 Y HA 0.237 4.786 4.550 -0.001 0.000 0.295 769 Y C 1.082 177.008 175.900 0.043 0.000 1.193 769 Y CA -1.004 57.118 58.100 0.037 0.000 1.295 769 Y CB -0.615 37.865 38.460 0.033 0.000 1.059 769 Y HN 0.076 nan 8.280 nan 0.000 0.514 770 N N -0.066 118.740 118.700 0.175 0.000 2.434 770 N HA 0.491 5.231 4.740 -0.001 0.000 0.266 770 N C -0.151 175.404 175.510 0.075 0.000 1.223 770 N CA -0.113 53.012 53.050 0.125 0.000 0.972 770 N CB 1.717 40.272 38.487 0.112 0.000 1.207 770 N HN -0.074 nan 8.380 nan 0.000 0.525 771 V N -4.647 115.281 119.914 0.024 0.000 3.182 771 V HA 0.787 4.907 4.120 -0.001 0.000 0.308 771 V C 0.450 176.478 176.094 -0.110 0.000 1.240 771 V CA -0.903 61.349 62.300 -0.080 0.000 1.063 771 V CB 0.791 32.473 31.823 -0.235 0.000 1.076 771 V HN 0.777 nan 8.190 nan 0.000 0.446 772 A N -0.006 122.697 122.820 -0.194 0.000 2.771 772 A HA -0.273 4.046 4.320 -0.001 0.000 0.294 772 A C 0.977 178.551 177.584 -0.016 0.000 1.500 772 A CA 1.787 53.741 52.037 -0.138 0.000 0.829 772 A CB -2.380 16.505 19.000 -0.191 0.000 0.998 772 A HN 1.743 nan 8.150 nan 0.000 0.526 773 Q N -4.330 115.473 119.800 0.004 0.000 2.487 773 Q HA -0.263 4.076 4.340 -0.001 0.000 0.279 773 Q C 0.307 176.349 176.000 0.070 0.000 1.228 773 Q CA 1.099 56.923 55.803 0.034 0.000 0.873 773 Q CB -2.737 26.014 28.738 0.022 0.000 1.260 773 Q HN 2.167 nan 8.270 nan 0.000 0.471 774 C N -2.681 116.684 119.300 0.109 0.000 3.316 774 C HA 0.585 5.044 4.460 -0.001 0.000 0.360 774 C C 1.188 176.308 174.990 0.215 0.000 1.560 774 C CA -0.291 58.837 59.018 0.184 0.000 1.229 774 C CB 0.951 28.835 27.740 0.239 0.000 1.823 774 C HN 0.468 nan 8.230 nan 0.000 0.440 775 N N 0.668 119.551 118.700 0.304 0.000 2.449 775 N HA 0.033 4.772 4.740 -0.001 0.000 0.191 775 N C 0.232 175.928 175.510 0.311 0.000 1.161 775 N CA 0.056 53.274 53.050 0.281 0.000 0.863 775 N CB -0.318 38.328 38.487 0.265 0.000 0.980 775 N HN 0.912 nan 8.380 nan 0.000 0.458 776 M N 1.710 121.492 119.600 0.304 0.000 2.233 776 M HA 0.087 4.567 4.480 -0.001 0.000 0.350 776 M C 0.059 176.446 176.300 0.145 0.000 1.176 776 M CA -0.320 55.090 55.300 0.183 0.000 1.150 776 M CB 0.837 33.433 32.600 -0.006 0.000 1.530 776 M HN 0.217 nan 8.290 nan 0.000 0.459 777 T N 1.597 116.240 114.554 0.148 0.000 2.828 777 T HA 0.273 4.623 4.350 -0.001 0.000 0.290 777 T C 0.755 175.538 174.700 0.139 0.000 1.019 777 T CA -0.564 61.622 62.100 0.144 0.000 1.031 777 T CB 1.028 69.972 68.868 0.127 0.000 1.001 777 T HN 0.811 nan 8.240 nan 0.000 0.531 778 K N 0.432 120.901 120.400 0.115 0.000 2.057 778 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 778 K C 1.897 178.559 176.600 0.104 0.000 1.050 778 K CA 1.480 57.833 56.287 0.109 0.000 0.935 778 K CB -0.168 32.393 32.500 0.101 0.000 0.715 778 K HN 0.600 nan 8.250 nan 0.000 0.439 779 D N 0.384 120.815 120.400 0.052 0.000 2.103 779 D HA -0.241 4.398 4.640 -0.001 0.000 0.190 779 D C 1.544 177.877 176.300 0.055 0.000 0.997 779 D CA 0.946 54.963 54.000 0.028 0.000 0.833 779 D CB -0.373 40.423 40.800 -0.006 0.000 0.961 779 D HN 0.354 nan 8.370 nan 0.000 0.447 780 W N 0.584 121.816 121.300 -0.114 0.000 2.335 780 W HA -0.276 4.384 4.660 -0.001 0.000 0.311 780 W C 2.235 178.585 176.519 -0.280 0.000 1.213 780 W CA 0.688 57.906 57.345 -0.211 0.000 1.274 780 W CB -0.551 28.762 29.460 -0.244 0.000 1.148 780 W HN -0.077 nan 8.180 nan 0.000 0.498 781 F N 1.162 120.958 119.950 -0.256 0.000 2.126 781 F HA -0.283 4.244 4.527 -0.001 0.000 0.299 781 F C 2.338 177.907 175.800 -0.385 0.000 1.096 781 F CA 2.071 59.827 58.000 -0.407 0.000 1.255 781 F CB -1.132 37.675 39.000 -0.323 0.000 0.997 781 F HN -0.135 nan 8.300 nan 0.000 0.479 782 L N -0.084 121.029 121.223 -0.184 0.000 1.989 782 L HA -0.174 4.166 4.340 -0.001 0.000 0.211 782 L C 2.281 178.917 176.870 -0.391 0.000 1.071 782 L CA 1.856 56.624 54.840 -0.120 0.000 0.749 782 L CB -1.156 40.917 42.059 0.025 0.000 0.890 782 L HN 0.040 nan 8.230 nan 0.000 0.431 783 V N -0.168 119.432 119.914 -0.523 0.000 2.332 783 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 783 V C 2.696 178.293 176.094 -0.828 0.000 1.055 783 V CA 1.828 63.681 62.300 -0.745 0.000 1.038 783 V CB -0.760 30.526 31.823 -0.896 0.000 0.651 783 V HN 0.556 nan 8.190 nan 0.000 0.450 784 Q N -1.333 117.822 119.800 -1.074 0.000 2.172 784 Q HA -0.042 4.297 4.340 -0.001 0.000 0.200 784 Q C 2.214 177.749 176.000 -0.775 0.000 0.964 784 Q CA 1.137 56.269 55.803 -1.119 0.000 0.855 784 Q CB -0.356 27.327 28.738 -1.759 0.000 0.918 784 Q HN 0.473 nan 8.270 nan 0.000 0.444 785 M N -0.008 119.196 119.600 -0.661 0.000 2.132 785 M HA -0.057 4.422 4.480 -0.001 0.000 0.263 785 M C 2.257 178.425 176.300 -0.220 0.000 1.065 785 M CA 1.050 56.179 55.300 -0.285 0.000 1.122 785 M CB -0.869 31.556 32.600 -0.292 0.000 1.365 785 M HN 0.159 nan 8.290 nan 0.000 0.411 786 L N -0.287 120.756 121.223 -0.300 0.000 1.988 786 L HA -0.150 4.190 4.340 -0.001 0.000 0.207 786 L C 2.753 179.503 176.870 -0.200 0.000 1.071 786 L CA 1.260 55.970 54.840 -0.218 0.000 0.744 786 L CB -0.982 40.957 42.059 -0.199 0.000 0.893 786 L HN 0.249 nan 8.230 nan 0.000 0.433 787 A N 0.074 122.729 122.820 -0.276 0.000 1.917 787 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 787 A C 2.073 179.466 177.584 -0.318 0.000 1.182 787 A CA 2.217 54.099 52.037 -0.260 0.000 0.633 787 A CB -0.639 18.156 19.000 -0.342 0.000 0.819 787 A HN 0.527 nan 8.150 nan 0.000 0.448 788 N N -2.186 116.217 118.700 -0.495 0.000 2.305 788 N HA -0.015 4.724 4.740 -0.001 0.000 0.179 788 N C 0.603 175.626 175.510 -0.812 0.000 1.019 788 N CA 1.522 54.108 53.050 -0.775 0.000 0.869 788 N CB 0.027 37.753 38.487 -1.267 0.000 1.000 788 N HN 0.665 nan 8.380 nan 0.000 0.431 789 Y N -0.633 119.617 120.300 -0.083 0.000 2.563 789 Y HA 0.348 4.897 4.550 -0.001 0.000 0.250 789 Y C 0.080 175.935 175.900 -0.076 0.000 1.126 789 Y CA -0.657 57.402 58.100 -0.069 0.000 1.231 789 Y CB 0.080 38.487 38.460 -0.089 0.000 1.288 789 Y HN -0.180 nan 8.280 nan 0.000 0.537 790 N N 0.645 119.345 118.700 0.000 0.000 2.782 790 N HA -0.189 4.551 4.740 -0.001 0.000 0.251 790 N C -0.776 174.714 175.510 -0.033 0.000 1.101 790 N CA 0.803 53.853 53.050 -0.000 0.000 0.764 790 N CB -1.470 37.041 38.487 0.041 0.000 1.122 790 N HN 0.423 nan 8.380 nan 0.000 0.561 791 I N -0.838 119.681 120.570 -0.085 0.000 2.359 791 I HA 0.528 4.698 4.170 -0.001 0.000 0.294 791 I C 1.483 177.414 176.117 -0.310 0.000 0.987 791 I CA 0.405 61.566 61.300 -0.232 0.000 1.225 791 I CB 1.589 39.365 38.000 -0.373 0.000 1.366 791 I HN 0.219 nan 8.210 nan 0.000 0.466 792 G N 3.876 112.400 108.800 -0.461 0.000 3.819 792 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.210 792 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.210 792 G C 0.377 174.885 174.900 -0.653 0.000 1.018 792 G CA -0.296 44.370 45.100 -0.724 0.000 0.882 792 G HN 0.459 nan 8.290 nan 0.000 0.377 793 Y N 1.490 121.658 120.300 -0.220 0.000 2.546 793 Y HA 0.391 4.940 4.550 -0.001 0.000 0.287 793 Y C 2.069 177.891 175.900 -0.130 0.000 1.158 793 Y CA 1.173 59.184 58.100 -0.149 0.000 1.307 793 Y CB 0.496 38.908 38.460 -0.080 0.000 1.036 793 Y HN 0.274 nan 8.280 nan 0.000 0.532 794 Q N -0.194 119.595 119.800 -0.019 0.000 2.227 794 Q HA 0.434 4.773 4.340 -0.001 0.000 0.332 794 Q C -0.060 175.946 176.000 0.009 0.000 0.878 794 Q CA -0.071 55.741 55.803 0.016 0.000 1.120 794 Q CB 1.138 29.918 28.738 0.070 0.000 1.315 794 Q HN 0.354 nan 8.270 nan 0.000 0.414 795 G N 0.515 109.227 108.800 -0.147 0.000 2.587 795 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.686 795 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.686 795 G C -1.327 173.409 174.900 -0.274 0.000 1.236 795 G CA -1.073 43.964 45.100 -0.105 0.000 0.820 795 G HN 0.096 nan 8.290 nan 0.000 0.645 796 F N 1.436 121.426 119.950 0.067 0.000 2.458 796 F HA 0.829 5.356 4.527 -0.001 0.000 0.336 796 F C 0.560 176.392 175.800 0.053 0.000 1.114 796 F CA -0.515 57.464 58.000 -0.035 0.000 0.987 796 F CB 1.685 40.767 39.000 0.136 0.000 1.130 796 F HN 0.745 nan 8.300 nan 0.000 0.458 797 Y N 0.297 120.696 120.300 0.164 0.000 2.656 797 Y HA 0.623 5.172 4.550 -0.001 0.000 0.334 797 Y C -1.109 174.667 175.900 -0.207 0.000 1.179 797 Y CA -2.174 55.930 58.100 0.007 0.000 1.050 797 Y CB 0.469 38.918 38.460 -0.019 0.000 1.308 797 Y HN 0.348 nan 8.280 nan 0.000 0.456 798 I N 4.822 125.345 120.570 -0.078 0.000 2.598 798 I HA 0.156 4.325 4.170 -0.001 0.000 0.284 798 I C -1.919 174.012 176.117 -0.311 0.000 1.140 798 I CA -1.498 59.503 61.300 -0.497 0.000 1.420 798 I CB 0.587 38.430 38.000 -0.261 0.000 1.387 798 I HN 0.422 nan 8.210 nan 0.000 0.553 799 P HA 0.087 nan 4.420 nan 0.000 0.272 799 P C -0.544 176.626 177.300 -0.217 0.000 1.223 799 P CA -0.370 62.474 63.100 -0.427 0.000 0.784 799 P CB 0.574 31.667 31.700 -1.011 0.000 0.923 800 E N 0.311 120.463 120.200 -0.080 0.000 2.452 800 E HA -0.037 4.312 4.350 -0.001 0.000 0.261 800 E C 1.417 177.998 176.600 -0.032 0.000 0.987 800 E CA 0.224 56.603 56.400 -0.035 0.000 0.926 800 E CB 0.281 29.983 29.700 0.002 0.000 0.934 800 E HN 0.417 nan 8.360 nan 0.000 0.452 801 S N 1.632 117.322 115.700 -0.017 0.000 2.440 801 S HA -0.286 4.183 4.470 -0.001 0.000 0.238 801 S C 2.229 176.844 174.600 0.024 0.000 1.010 801 S CA 1.445 59.648 58.200 0.005 0.000 0.972 801 S CB -0.713 62.491 63.200 0.006 0.000 0.774 801 S HN 0.699 nan 8.310 nan 0.000 0.501 802 Y N 0.861 121.174 120.300 0.023 0.000 2.352 802 Y HA 0.274 4.823 4.550 -0.001 0.000 0.292 802 Y C 2.863 178.800 175.900 0.061 0.000 1.136 802 Y CA 1.297 59.416 58.100 0.032 0.000 1.227 802 Y CB -1.409 37.066 38.460 0.024 0.000 0.991 802 Y HN 0.694 nan 8.280 nan 0.000 0.545 803 K N 0.036 120.485 120.400 0.083 0.000 2.361 803 K HA 0.186 4.506 4.320 -0.001 0.000 0.194 803 K C 0.408 177.159 176.600 0.251 0.000 1.032 803 K CA 0.694 57.072 56.287 0.153 0.000 1.048 803 K CB -0.023 32.584 32.500 0.178 0.000 0.842 803 K HN 0.537 nan 8.250 nan 0.000 0.526 804 D N 1.592 122.097 120.400 0.176 0.000 2.622 804 D HA 0.133 4.773 4.640 -0.001 0.000 0.262 804 D C -0.050 176.345 176.300 0.159 0.000 1.189 804 D CA -0.505 53.636 54.000 0.235 0.000 0.985 804 D CB 0.071 40.919 40.800 0.082 0.000 0.994 804 D HN 0.199 nan 8.370 nan 0.000 0.513 805 R N 1.171 121.762 120.500 0.153 0.000 2.828 805 R HA 0.148 4.488 4.340 -0.001 0.000 0.270 805 R C 1.550 177.861 176.300 0.018 0.000 1.244 805 R CA -0.562 55.582 56.100 0.073 0.000 1.143 805 R CB -0.295 30.055 30.300 0.083 0.000 1.128 805 R HN 0.340 nan 8.270 nan 0.000 0.587 806 M N 0.121 119.657 119.600 -0.107 0.000 2.202 806 M HA -0.154 4.325 4.480 -0.001 0.000 0.262 806 M C 0.308 176.386 176.300 -0.370 0.000 1.063 806 M CA 1.907 57.021 55.300 -0.311 0.000 1.097 806 M CB 0.109 32.378 32.600 -0.552 0.000 1.382 806 M HN 0.435 nan 8.290 nan 0.000 0.413 807 Y N -0.548 119.791 120.300 0.064 0.000 2.658 807 Y HA 0.368 4.917 4.550 -0.001 0.000 0.276 807 Y C 0.520 176.476 175.900 0.094 0.000 1.167 807 Y CA -0.634 57.515 58.100 0.083 0.000 1.230 807 Y CB -0.111 38.395 38.460 0.076 0.000 1.144 807 Y HN -0.024 nan 8.280 nan 0.000 0.529 808 S N 0.260 116.082 115.700 0.204 0.000 2.652 808 S HA 0.097 4.567 4.470 -0.001 0.000 0.270 808 S C 0.908 175.666 174.600 0.264 0.000 1.243 808 S CA -0.697 57.639 58.200 0.226 0.000 0.999 808 S CB 0.723 64.106 63.200 0.305 0.000 0.973 808 S HN 0.397 nan 8.310 nan 0.000 0.544 809 F N 1.924 121.963 119.950 0.148 0.000 2.031 809 F HA -0.121 4.405 4.527 -0.001 0.000 0.295 809 F C 1.810 177.783 175.800 0.288 0.000 1.133 809 F CA 1.558 59.657 58.000 0.165 0.000 1.188 809 F CB -0.665 38.377 39.000 0.070 0.000 0.974 809 F HN 0.660 nan 8.300 nan 0.000 0.473 810 F N 1.425 121.292 119.950 -0.138 0.000 2.065 810 F HA -0.247 4.280 4.527 -0.001 0.000 0.298 810 F C 2.748 178.488 175.800 -0.100 0.000 1.112 810 F CA 2.343 60.185 58.000 -0.265 0.000 1.212 810 F CB -0.681 38.269 39.000 -0.083 0.000 0.975 810 F HN 0.024 nan 8.300 nan 0.000 0.476 811 R N 0.802 121.362 120.500 0.100 0.000 2.139 811 R HA -0.190 4.150 4.340 -0.001 0.000 0.243 811 R C 1.440 177.692 176.300 -0.079 0.000 1.145 811 R CA 2.213 58.325 56.100 0.020 0.000 0.976 811 R CB -0.692 29.655 30.300 0.079 0.000 0.866 811 R HN 0.341 nan 8.270 nan 0.000 0.449 812 N N -0.877 117.786 118.700 -0.061 0.000 2.236 812 N HA -0.037 4.703 4.740 -0.001 0.000 0.196 812 N C -0.723 174.787 175.510 0.000 0.000 1.114 812 N CA -0.076 52.969 53.050 -0.008 0.000 0.859 812 N CB 0.222 38.760 38.487 0.085 0.000 0.982 812 N HN 0.078 nan 8.380 nan 0.000 0.493 813 F N 3.248 122.984 119.950 -0.357 0.000 2.502 813 F HA 0.110 4.636 4.527 -0.001 0.000 0.371 813 F C 0.026 175.706 175.800 -0.200 0.000 1.083 813 F CA -0.090 57.712 58.000 -0.329 0.000 1.174 813 F CB 0.425 38.994 39.000 -0.718 0.000 1.096 813 F HN -0.169 nan 8.300 nan 0.000 0.545 814 Q N 8.890 128.427 119.800 -0.438 0.000 2.674 814 Q HA 0.283 4.622 4.340 -0.001 0.000 0.249 814 Q C -2.626 173.127 176.000 -0.411 0.000 1.011 814 Q CA -1.942 53.614 55.803 -0.412 0.000 0.734 814 Q CB 1.386 30.024 28.738 -0.166 0.000 1.201 814 Q HN 0.436 nan 8.270 nan 0.000 0.498 815 P HA 0.303 nan 4.420 nan 0.000 0.279 815 P C -0.525 176.711 177.300 -0.108 0.000 1.239 815 P CA -0.163 62.761 63.100 -0.293 0.000 0.789 815 P CB 1.116 32.604 31.700 -0.353 0.000 0.933 816 M N 1.081 120.688 119.600 0.011 0.000 2.575 816 M HA 0.470 4.949 4.480 -0.001 0.000 0.284 816 M C -0.471 176.010 176.300 0.302 0.000 1.253 816 M CA -0.363 55.008 55.300 0.117 0.000 0.861 816 M CB 2.671 35.298 32.600 0.044 0.000 1.733 816 M HN 0.184 nan 8.290 nan 0.000 0.462 817 S N 0.364 116.290 115.700 0.376 0.000 2.579 817 S HA 0.884 5.354 4.470 -0.001 0.000 0.272 817 S C -1.440 173.221 174.600 0.101 0.000 1.141 817 S CA -1.036 57.340 58.200 0.293 0.000 0.843 817 S CB 2.753 66.030 63.200 0.128 0.000 1.122 817 S HN 0.792 nan 8.310 nan 0.000 0.468 818 R N 0.358 120.726 120.500 -0.220 0.000 2.712 818 R HA 0.690 5.029 4.340 -0.001 0.000 0.272 818 R C -2.229 173.864 176.300 -0.344 0.000 1.032 818 R CA -0.963 54.886 56.100 -0.420 0.000 0.874 818 R CB 0.727 30.418 30.300 -1.014 0.000 1.256 818 R HN 0.405 nan 8.270 nan 0.000 0.468 819 Q N 0.483 120.123 119.800 -0.268 0.000 2.345 819 Q HA 0.656 4.995 4.340 -0.001 0.000 0.268 819 Q C -1.049 174.831 176.000 -0.199 0.000 1.054 819 Q CA -0.724 54.963 55.803 -0.194 0.000 0.835 819 Q CB 2.789 31.453 28.738 -0.124 0.000 1.339 819 Q HN 0.595 nan 8.270 nan 0.000 0.447 820 V N -1.578 118.237 119.914 -0.166 0.000 3.078 820 V HA 0.772 4.891 4.120 -0.001 0.000 0.311 820 V C -0.159 175.858 176.094 -0.129 0.000 1.138 820 V CA -1.389 60.832 62.300 -0.132 0.000 1.007 820 V CB 1.397 33.141 31.823 -0.132 0.000 1.045 820 V HN 0.653 nan 8.190 nan 0.000 0.432 821 V N -0.533 119.309 119.914 -0.120 0.000 2.694 821 V HA 0.248 4.367 4.120 -0.001 0.000 0.306 821 V C 0.261 176.223 176.094 -0.221 0.000 1.054 821 V CA 0.397 62.570 62.300 -0.212 0.000 1.161 821 V CB 0.609 32.264 31.823 -0.279 0.000 0.916 821 V HN 1.051 nan 8.190 nan 0.000 0.490 822 D N 4.128 124.405 120.400 -0.206 0.000 2.393 822 D HA 0.091 4.730 4.640 -0.001 0.000 0.232 822 D C 0.810 176.978 176.300 -0.220 0.000 1.192 822 D CA -0.200 53.699 54.000 -0.170 0.000 0.882 822 D CB 0.911 41.650 40.800 -0.101 0.000 1.038 822 D HN 0.875 nan 8.370 nan 0.000 0.499 823 D N 1.669 121.834 120.400 -0.391 0.000 2.332 823 D HA -0.098 4.541 4.640 -0.001 0.000 0.244 823 D C 1.002 177.125 176.300 -0.295 0.000 1.136 823 D CA 0.191 53.787 54.000 -0.674 0.000 0.884 823 D CB -0.032 40.003 40.800 -1.274 0.000 0.906 823 D HN 0.383 nan 8.370 nan 0.000 0.520 824 T N -5.897 108.570 114.554 -0.144 0.000 3.041 824 T HA 0.310 4.660 4.350 -0.001 0.000 0.276 824 T C 1.526 176.208 174.700 -0.030 0.000 0.948 824 T CA 0.311 62.372 62.100 -0.064 0.000 0.885 824 T CB 0.387 69.222 68.868 -0.056 0.000 1.175 824 T HN 0.209 nan 8.240 nan 0.000 0.529 825 K N 0.468 120.856 120.400 -0.020 0.000 2.399 825 K HA 0.395 4.714 4.320 -0.001 0.000 0.196 825 K C 0.309 176.945 176.600 0.060 0.000 1.103 825 K CA -0.038 56.254 56.287 0.008 0.000 0.986 825 K CB -0.305 32.194 32.500 -0.002 0.000 0.952 825 K HN 0.523 nan 8.250 nan 0.000 0.541 826 Y N 2.867 123.118 120.300 -0.082 0.000 2.595 826 Y HA 0.393 4.942 4.550 -0.001 0.000 0.347 826 Y C 1.597 177.489 175.900 -0.013 0.000 1.025 826 Y CA -0.390 57.669 58.100 -0.068 0.000 1.295 826 Y CB 0.465 38.848 38.460 -0.129 0.000 1.147 826 Y HN 0.276 nan 8.280 nan 0.000 0.515 827 K N 3.566 123.810 120.400 -0.260 0.000 2.059 827 K HA -0.207 4.112 4.320 -0.001 0.000 0.212 827 K C 1.329 177.696 176.600 -0.388 0.000 1.050 827 K CA 2.308 58.441 56.287 -0.257 0.000 0.927 827 K CB -0.610 31.786 32.500 -0.174 0.000 0.714 827 K HN 0.776 nan 8.250 nan 0.000 0.447 828 E N -0.596 119.129 120.200 -0.791 0.000 2.515 828 E HA -0.052 4.297 4.350 -0.001 0.000 0.201 828 E C 0.259 176.638 176.600 -0.368 0.000 1.071 828 E CA -0.224 55.817 56.400 -0.599 0.000 0.880 828 E CB -0.863 28.485 29.700 -0.587 0.000 0.828 828 E HN 0.674 nan 8.360 nan 0.000 0.540 829 Y N 2.466 122.489 120.300 -0.461 0.000 2.904 829 Y HA -0.158 4.391 4.550 -0.001 0.000 0.336 829 Y C 0.229 176.189 175.900 0.099 0.000 1.263 829 Y CA 0.663 58.761 58.100 -0.003 0.000 1.547 829 Y CB 0.375 38.858 38.460 0.037 0.000 1.272 829 Y HN -0.136 nan 8.280 nan 0.000 0.596 830 Q N 3.950 123.319 119.800 -0.719 0.000 2.289 830 Q HA 0.338 4.677 4.340 -0.001 0.000 0.270 830 Q C -1.096 174.441 176.000 -0.772 0.000 1.038 830 Q CA -0.585 54.889 55.803 -0.548 0.000 0.812 830 Q CB 1.763 30.405 28.738 -0.160 0.000 1.300 830 Q HN 0.771 nan 8.270 nan 0.000 0.427 831 Q N 1.356 120.875 119.800 -0.468 0.000 2.421 831 Q HA 0.582 4.921 4.340 -0.001 0.000 0.242 831 Q C -0.567 175.417 176.000 -0.028 0.000 1.024 831 Q CA -0.486 55.228 55.803 -0.149 0.000 0.891 831 Q CB 0.767 29.549 28.738 0.075 0.000 1.222 831 Q HN 0.406 nan 8.270 nan 0.000 0.483 832 V N 2.378 122.292 119.914 0.001 0.000 2.370 832 V HA 0.759 4.878 4.120 -0.001 0.000 0.283 832 V C 1.046 177.192 176.094 0.086 0.000 1.023 832 V CA -0.572 61.755 62.300 0.045 0.000 0.857 832 V CB 1.338 33.163 31.823 0.003 0.000 0.985 832 V HN 0.937 nan 8.190 nan 0.000 0.443 833 G N 2.845 111.715 108.800 0.116 0.000 2.616 833 G HA2 0.382 4.341 3.960 -0.001 0.000 0.268 833 G HA3 0.382 4.341 3.960 -0.001 0.000 0.268 833 G C 0.903 175.833 174.900 0.049 0.000 1.213 833 G CA -0.363 44.786 45.100 0.082 0.000 0.926 833 G HN 0.753 nan 8.290 nan 0.000 0.523 834 I N -0.607 119.979 120.570 0.028 0.000 2.264 834 I HA -0.163 4.007 4.170 -0.001 0.000 0.248 834 I C 2.498 178.597 176.117 -0.029 0.000 1.111 834 I CA 0.944 62.255 61.300 0.019 0.000 1.382 834 I CB -1.003 37.002 38.000 0.008 0.000 1.060 834 I HN 0.373 nan 8.210 nan 0.000 0.418 835 L N 0.249 121.384 121.223 -0.147 0.000 2.081 835 L HA -0.209 4.130 4.340 -0.001 0.000 0.212 835 L C 1.908 178.603 176.870 -0.291 0.000 1.080 835 L CA 1.472 56.137 54.840 -0.291 0.000 0.754 835 L CB -0.829 40.896 42.059 -0.556 0.000 0.893 835 L HN 0.471 nan 8.230 nan 0.000 0.433 836 H N -1.383 117.758 119.070 0.119 0.000 2.528 836 H HA 0.287 4.842 4.556 -0.001 0.000 0.282 836 H C 0.109 175.491 175.328 0.092 0.000 1.097 836 H CA -0.162 55.952 56.048 0.110 0.000 1.121 836 H CB 0.238 30.036 29.762 0.061 0.000 1.590 836 H HN 0.424 nan 8.280 nan 0.000 0.553 837 Q N 1.394 121.283 119.800 0.148 0.000 2.261 837 Q HA 0.268 4.607 4.340 -0.001 0.000 0.252 837 Q C -0.462 175.622 176.000 0.140 0.000 0.915 837 Q CA -0.457 55.385 55.803 0.066 0.000 0.915 837 Q CB 1.074 29.855 28.738 0.072 0.000 1.204 837 Q HN 0.513 nan 8.270 nan 0.000 0.421 838 H N -0.177 118.927 119.070 0.058 0.000 2.934 838 H HA 0.561 5.116 4.556 -0.001 0.000 0.340 838 H C -1.509 173.830 175.328 0.018 0.000 1.008 838 H CA -0.950 55.134 56.048 0.060 0.000 1.317 838 H CB 1.097 30.891 29.762 0.053 0.000 1.670 838 H HN 0.407 nan 8.280 nan 0.000 0.516 839 N N 3.131 121.930 118.700 0.165 0.000 2.503 839 N HA 0.178 4.918 4.740 -0.001 0.000 0.287 839 N C -0.806 174.817 175.510 0.187 0.000 1.096 839 N CA -0.379 52.715 53.050 0.073 0.000 0.936 839 N CB 0.971 39.330 38.487 -0.214 0.000 1.570 839 N HN 0.869 nan 8.380 nan 0.000 0.504 840 N N 0.250 119.085 118.700 0.226 0.000 2.882 840 N HA -0.153 4.587 4.740 -0.001 0.000 0.249 840 N C -0.668 175.001 175.510 0.266 0.000 1.079 840 N CA 1.049 54.303 53.050 0.339 0.000 0.800 840 N CB -1.488 37.173 38.487 0.291 0.000 1.124 840 N HN 0.729 nan 8.380 nan 0.000 0.557 841 S N -0.975 114.810 115.700 0.141 0.000 2.552 841 S HA 0.421 4.891 4.470 -0.001 0.000 0.289 841 S C 1.618 176.048 174.600 -0.283 0.000 1.304 841 S CA 0.904 59.089 58.200 -0.025 0.000 1.063 841 S CB 1.582 64.743 63.200 -0.066 0.000 0.848 841 S HN 1.052 nan 8.310 nan 0.000 0.499 842 G N 1.760 110.351 108.800 -0.349 0.000 2.241 842 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.244 842 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.244 842 G C 0.197 174.675 174.900 -0.703 0.000 0.998 842 G CA 0.392 45.126 45.100 -0.611 0.000 0.621 842 G HN 0.775 nan 8.290 nan 0.000 0.519 843 F N -0.280 119.673 119.950 0.005 0.000 2.767 843 F HA 0.698 5.224 4.527 -0.001 0.000 0.323 843 F C 0.929 176.726 175.800 -0.005 0.000 1.091 843 F CA 0.049 58.049 58.000 0.001 0.000 1.192 843 F CB 0.971 39.978 39.000 0.012 0.000 1.056 843 F HN 0.270 nan 8.300 nan 0.000 0.571 844 V N -0.784 119.201 119.914 0.119 0.000 3.102 844 V HA 0.849 4.968 4.120 -0.001 0.000 0.312 844 V C 0.137 176.246 176.094 0.026 0.000 1.135 844 V CA -0.893 61.447 62.300 0.068 0.000 1.022 844 V CB 1.715 33.591 31.823 0.089 0.000 1.056 844 V HN 0.099 nan 8.190 nan 0.000 0.436 845 G N 1.070 109.866 108.800 -0.007 0.000 2.606 845 G HA2 0.322 4.281 3.960 -0.001 0.000 0.252 845 G HA3 0.322 4.281 3.960 -0.001 0.000 0.252 845 G C -1.302 173.643 174.900 0.075 0.000 1.206 845 G CA -0.070 45.028 45.100 -0.003 0.000 0.861 845 G HN 0.788 nan 8.290 nan 0.000 0.561 846 Y N 1.366 121.636 120.300 -0.050 0.000 2.425 846 Y HA 0.355 4.904 4.550 -0.001 0.000 0.347 846 Y C 1.127 177.030 175.900 0.005 0.000 0.976 846 Y CA -1.074 57.011 58.100 -0.025 0.000 1.190 846 Y CB 0.148 38.584 38.460 -0.039 0.000 1.136 846 Y HN 0.508 nan 8.280 nan 0.000 0.517 847 L N 3.494 124.492 121.223 -0.375 0.000 4.367 847 L HA -0.335 4.005 4.340 -0.001 0.000 0.424 847 L C -0.047 176.787 176.870 -0.061 0.000 1.152 847 L CA 0.987 55.636 54.840 -0.318 0.000 0.974 847 L CB -1.758 39.929 42.059 -0.620 0.000 2.012 847 L HN 0.765 nan 8.230 nan 0.000 0.922 848 A N -1.425 121.354 122.820 -0.067 0.000 2.586 848 A HA 0.734 5.053 4.320 -0.001 0.000 0.290 848 A C -2.520 174.976 177.584 -0.146 0.000 1.086 848 A CA -0.580 51.421 52.037 -0.060 0.000 0.665 848 A CB 1.172 20.170 19.000 -0.004 0.000 1.279 848 A HN -0.101 nan 8.150 nan 0.000 0.423 849 P HA 0.159 nan 4.420 nan 0.000 0.226 849 P C 0.175 177.354 177.300 -0.201 0.000 1.758 849 P CA 0.468 63.369 63.100 -0.332 0.000 0.896 849 P CB -0.575 30.863 31.700 -0.437 0.000 1.784 850 T N -3.837 110.630 114.554 -0.145 0.000 2.844 850 T HA 0.431 4.781 4.350 -0.001 0.000 0.274 850 T C 0.536 175.159 174.700 -0.129 0.000 0.991 850 T CA -1.185 60.838 62.100 -0.129 0.000 0.983 850 T CB 0.606 69.407 68.868 -0.111 0.000 1.310 850 T HN 0.017 nan 8.240 nan 0.000 0.596 851 M N 1.883 121.394 119.600 -0.148 0.000 2.235 851 M HA 0.099 4.579 4.480 -0.001 0.000 0.336 851 M C 0.373 176.613 176.300 -0.099 0.000 1.146 851 M CA -0.423 54.799 55.300 -0.130 0.000 1.018 851 M CB 0.420 32.920 32.600 -0.166 0.000 1.694 851 M HN 0.785 nan 8.290 nan 0.000 0.451 852 R N 3.601 124.061 120.500 -0.067 0.000 2.784 852 R HA 0.265 4.605 4.340 -0.001 0.000 0.266 852 R C -0.753 175.500 176.300 -0.078 0.000 1.044 852 R CA 0.012 56.084 56.100 -0.046 0.000 1.151 852 R CB 0.090 30.388 30.300 -0.004 0.000 1.037 852 R HN 0.756 nan 8.270 nan 0.000 0.478 853 E N -0.958 119.187 120.200 -0.091 0.000 2.422 853 E HA 0.528 4.877 4.350 -0.001 0.000 0.280 853 E C -0.518 175.985 176.600 -0.162 0.000 1.091 853 E CA -0.969 55.358 56.400 -0.121 0.000 0.849 853 E CB 0.757 30.393 29.700 -0.105 0.000 1.353 853 E HN 0.948 nan 8.360 nan 0.000 0.449 854 G N 0.676 109.364 108.800 -0.186 0.000 2.627 854 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.214 854 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.214 854 G C -1.051 173.695 174.900 -0.258 0.000 1.331 854 G CA -0.049 44.916 45.100 -0.225 0.000 0.891 854 G HN 0.941 nan 8.290 nan 0.000 0.539 855 Q N -0.967 118.668 119.800 -0.275 0.000 2.451 855 Q HA 0.804 5.143 4.340 -0.001 0.000 0.281 855 Q C -0.022 175.827 176.000 -0.251 0.000 1.099 855 Q CA -0.520 55.126 55.803 -0.262 0.000 0.806 855 Q CB 1.990 30.614 28.738 -0.190 0.000 1.419 855 Q HN 2.114 nan 8.270 nan 0.000 0.427 856 A N 1.341 124.032 122.820 -0.216 0.000 2.498 856 A HA 0.457 4.776 4.320 -0.001 0.000 0.239 856 A C -1.245 176.440 177.584 0.168 0.000 1.068 856 A CA 0.386 52.396 52.037 -0.045 0.000 0.766 856 A CB -0.004 19.059 19.000 0.105 0.000 1.003 856 A HN 0.614 nan 8.150 nan 0.000 0.497 857 Y N 0.419 120.711 120.300 -0.014 0.000 2.638 857 Y HA 0.418 4.968 4.550 -0.001 0.000 0.334 857 Y C -2.536 173.408 175.900 0.073 0.000 1.182 857 Y CA -1.665 56.429 58.100 -0.010 0.000 1.102 857 Y CB 1.307 39.692 38.460 -0.124 0.000 1.343 857 Y HN 0.597 nan 8.280 nan 0.000 0.463 858 P HA 0.315 nan 4.420 nan 0.000 0.262 858 P C -1.047 176.326 177.300 0.122 0.000 1.182 858 P CA 0.242 63.301 63.100 -0.068 0.000 0.761 858 P CB 0.462 32.044 31.700 -0.197 0.000 0.795 859 A N 3.267 126.120 122.820 0.056 0.000 2.445 859 A HA 0.151 4.471 4.320 -0.001 0.000 0.242 859 A C 1.026 178.515 177.584 -0.157 0.000 1.075 859 A CA -0.193 51.838 52.037 -0.010 0.000 0.777 859 A CB -0.031 18.910 19.000 -0.097 0.000 1.013 859 A HN 0.698 nan 8.150 nan 0.000 0.493 860 N N -0.463 118.014 118.700 -0.371 0.000 2.187 860 N HA 0.230 4.970 4.740 -0.001 0.000 0.212 860 N C -0.506 174.775 175.510 -0.381 0.000 1.152 860 N CA 0.568 53.392 53.050 -0.376 0.000 0.872 860 N CB 0.221 38.413 38.487 -0.493 0.000 1.025 860 N HN 0.921 nan 8.380 nan 0.000 0.514 861 V N -4.216 115.482 119.914 -0.361 0.000 3.077 861 V HA 0.722 4.841 4.120 -0.001 0.000 0.299 861 V C -3.135 172.707 176.094 -0.420 0.000 1.276 861 V CA -1.718 60.371 62.300 -0.351 0.000 0.993 861 V CB 2.339 34.018 31.823 -0.240 0.000 1.076 861 V HN -0.091 nan 8.190 nan 0.000 0.434 862 P HA 0.447 nan 4.420 nan 0.000 0.283 862 P C -1.241 175.997 177.300 -0.104 0.000 1.271 862 P CA -0.411 62.617 63.100 -0.120 0.000 0.841 862 P CB 0.886 32.628 31.700 0.069 0.000 1.122 863 Y N 1.254 121.548 120.300 -0.010 0.000 2.620 863 Y HA 0.104 4.653 4.550 -0.001 0.000 0.330 863 Y C -1.112 174.754 175.900 -0.056 0.000 1.186 863 Y CA -1.104 56.974 58.100 -0.037 0.000 1.467 863 Y CB -0.729 37.703 38.460 -0.047 0.000 1.262 863 Y HN 0.237 nan 8.280 nan 0.000 0.550 864 P HA 0.101 nan 4.420 nan 0.000 0.276 864 P C -0.203 177.095 177.300 -0.004 0.000 1.235 864 P CA 0.072 63.193 63.100 0.035 0.000 0.772 864 P CB 1.067 32.780 31.700 0.022 0.000 0.871 865 L N 3.323 124.539 121.223 -0.011 0.000 2.667 865 L HA 0.289 4.628 4.340 -0.001 0.000 0.232 865 L C 1.088 177.938 176.870 -0.034 0.000 1.138 865 L CA -0.025 54.791 54.840 -0.041 0.000 0.921 865 L CB -0.284 41.750 42.059 -0.041 0.000 1.180 865 L HN 0.405 nan 8.230 nan 0.000 0.487 866 I N -4.137 116.421 120.570 -0.019 0.000 3.239 866 I HA 0.960 5.129 4.170 -0.001 0.000 0.314 866 I C 0.414 176.525 176.117 -0.010 0.000 1.126 866 I CA -0.772 60.520 61.300 -0.014 0.000 0.973 866 I CB 1.659 39.655 38.000 -0.005 0.000 1.252 866 I HN 0.003 nan 8.210 nan 0.000 0.463 867 G N 1.987 110.783 108.800 -0.007 0.000 2.760 867 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.246 867 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.246 867 G C 0.007 174.905 174.900 -0.004 0.000 1.359 867 G CA 0.165 45.263 45.100 -0.004 0.000 0.861 867 G HN 0.935 nan 8.290 nan 0.000 0.541 868 K N -0.555 119.845 120.400 0.001 0.000 2.097 868 K HA -0.022 4.297 4.320 -0.001 0.000 0.206 868 K C 2.419 179.024 176.600 0.008 0.000 1.049 868 K CA 1.929 58.219 56.287 0.004 0.000 0.933 868 K CB -0.199 32.305 32.500 0.007 0.000 0.717 868 K HN 0.794 nan 8.250 nan 0.000 0.442 869 T N -1.329 113.232 114.554 0.011 0.000 3.273 869 T HA 0.392 4.742 4.350 -0.001 0.000 0.254 869 T C 0.340 175.040 174.700 -0.001 0.000 1.002 869 T CA -0.558 61.554 62.100 0.021 0.000 0.913 869 T CB 0.084 68.975 68.868 0.037 0.000 1.056 869 T HN 0.097 nan 8.240 nan 0.000 0.576 870 A N 1.992 124.800 122.820 -0.020 0.000 2.546 870 A HA 0.503 4.822 4.320 -0.001 0.000 0.243 870 A C 0.866 178.385 177.584 -0.108 0.000 1.063 870 A CA -0.461 51.543 52.037 -0.054 0.000 0.757 870 A CB -0.322 18.652 19.000 -0.044 0.000 0.991 870 A HN 0.951 nan 8.150 nan 0.000 0.503 871 V N 1.125 120.907 119.914 -0.221 0.000 3.003 871 V HA 0.273 4.392 4.120 -0.001 0.000 0.305 871 V C 0.122 176.035 176.094 -0.302 0.000 1.078 871 V CA -1.184 60.842 62.300 -0.457 0.000 1.083 871 V CB 0.452 31.699 31.823 -0.960 0.000 1.039 871 V HN 0.772 nan 8.190 nan 0.000 0.481 872 D N 2.453 122.702 120.400 -0.253 0.000 2.455 872 D HA 0.319 4.958 4.640 -0.001 0.000 0.241 872 D C 0.417 176.619 176.300 -0.164 0.000 1.138 872 D CA 0.608 54.535 54.000 -0.122 0.000 0.877 872 D CB 1.154 41.940 40.800 -0.022 0.000 1.187 872 D HN 1.001 nan 8.370 nan 0.000 0.451 873 S N 1.284 116.913 115.700 -0.118 0.000 2.671 873 S HA 0.742 5.212 4.470 -0.001 0.000 0.299 873 S C -0.336 174.207 174.600 -0.096 0.000 1.116 873 S CA -0.962 57.165 58.200 -0.122 0.000 0.912 873 S CB 1.958 65.089 63.200 -0.115 0.000 1.130 873 S HN 0.439 nan 8.310 nan 0.000 0.501 874 I N 0.906 121.415 120.570 -0.102 0.000 2.545 874 I HA 0.420 4.589 4.170 -0.001 0.000 0.292 874 I C -0.715 175.348 176.117 -0.089 0.000 1.040 874 I CA -0.382 60.868 61.300 -0.083 0.000 1.068 874 I CB 2.472 40.422 38.000 -0.085 0.000 1.251 874 I HN 0.733 nan 8.210 nan 0.000 0.424 875 T N 6.053 120.568 114.554 -0.064 0.000 2.837 875 T HA 0.405 4.754 4.350 -0.001 0.000 0.285 875 T C -0.745 173.933 174.700 -0.037 0.000 0.984 875 T CA -0.475 61.587 62.100 -0.062 0.000 1.049 875 T CB 1.065 69.914 68.868 -0.032 0.000 0.947 875 T HN 0.471 nan 8.240 nan 0.000 0.472 876 Q N 2.149 121.919 119.800 -0.051 0.000 2.337 876 Q HA 0.514 4.853 4.340 -0.001 0.000 0.270 876 Q C -0.991 175.127 176.000 0.196 0.000 1.043 876 Q CA -0.931 54.906 55.803 0.055 0.000 0.794 876 Q CB 2.564 31.322 28.738 0.034 0.000 1.281 876 Q HN 0.463 nan 8.270 nan 0.000 0.446 877 K N 2.116 122.660 120.400 0.240 0.000 2.316 877 K HA 0.607 4.926 4.320 -0.001 0.000 0.251 877 K C -0.812 175.938 176.600 0.250 0.000 0.934 877 K CA -0.808 55.641 56.287 0.270 0.000 0.802 877 K CB 2.161 34.770 32.500 0.181 0.000 1.171 877 K HN 0.571 nan 8.250 nan 0.000 0.426 878 K N 0.725 121.246 120.400 0.202 0.000 2.499 878 K HA 0.597 4.916 4.320 -0.001 0.000 0.284 878 K C -1.451 175.219 176.600 0.116 0.000 1.039 878 K CA -1.026 55.305 56.287 0.073 0.000 0.873 878 K CB 1.250 33.657 32.500 -0.154 0.000 1.545 878 K HN 0.484 nan 8.250 nan 0.000 0.402 879 F N -1.158 118.796 119.950 0.007 0.000 2.668 879 F HA 0.752 5.278 4.527 -0.001 0.000 0.309 879 F C -2.144 173.666 175.800 0.016 0.000 1.117 879 F CA -1.232 56.765 58.000 -0.005 0.000 0.951 879 F CB 1.251 40.358 39.000 0.178 0.000 1.323 879 F HN 0.365 nan 8.300 nan 0.000 0.451 880 L N 1.867 123.205 121.223 0.193 0.000 2.370 880 L HA 0.721 5.061 4.340 -0.001 0.000 0.266 880 L C -1.049 176.061 176.870 0.401 0.000 1.002 880 L CA -0.590 54.313 54.840 0.104 0.000 0.818 880 L CB 2.078 44.078 42.059 -0.098 0.000 1.325 880 L HN 1.037 nan 8.230 nan 0.000 0.418 881 C N 2.974 122.533 119.300 0.431 0.000 3.319 881 C HA 0.371 4.830 4.460 -0.001 0.000 0.200 881 C C -0.572 174.579 174.990 0.268 0.000 1.332 881 C CA -0.831 58.421 59.018 0.391 0.000 1.170 881 C CB -1.125 26.950 27.740 0.557 0.000 1.855 881 C HN 0.810 nan 8.230 nan 0.000 0.593 882 D N 1.710 122.290 120.400 0.300 0.000 2.363 882 D HA 0.126 4.765 4.640 -0.001 0.000 0.240 882 D C 1.041 177.559 176.300 0.365 0.000 1.236 882 D CA 0.280 54.514 54.000 0.389 0.000 0.927 882 D CB 0.384 41.492 40.800 0.512 0.000 1.150 882 D HN 0.736 nan 8.370 nan 0.000 0.458 883 R N -2.025 118.761 120.500 0.477 0.000 3.591 883 R HA -0.234 4.105 4.340 -0.001 0.000 0.268 883 R C -0.476 176.128 176.300 0.507 0.000 1.102 883 R CA 1.074 57.466 56.100 0.486 0.000 0.732 883 R CB -2.603 27.940 30.300 0.406 0.000 1.117 883 R HN 0.397 nan 8.270 nan 0.000 0.472 884 T N -0.417 114.344 114.554 0.345 0.000 2.831 884 T HA 0.766 5.115 4.350 -0.001 0.000 0.287 884 T C -1.024 173.608 174.700 -0.114 0.000 1.070 884 T CA -0.852 61.349 62.100 0.167 0.000 1.010 884 T CB 1.378 70.293 68.868 0.078 0.000 1.264 884 T HN 0.256 nan 8.240 nan 0.000 0.532 885 L N 1.422 122.499 121.223 -0.243 0.000 2.386 885 L HA 0.530 4.869 4.340 -0.001 0.000 0.271 885 L C -0.862 175.750 176.870 -0.430 0.000 0.993 885 L CA -0.961 53.595 54.840 -0.475 0.000 0.819 885 L CB 1.937 43.742 42.059 -0.424 0.000 1.294 885 L HN 0.731 nan 8.230 nan 0.000 0.414 886 W N 3.039 123.981 121.300 -0.596 0.000 2.210 886 W HA 0.328 4.988 4.660 -0.001 0.000 0.330 886 W C 0.318 176.379 176.519 -0.762 0.000 1.334 886 W CA -0.490 56.422 57.345 -0.722 0.000 1.227 886 W CB 0.594 29.283 29.460 -1.285 0.000 1.178 886 W HN 0.277 nan 8.180 nan 0.000 0.560 887 R N 3.452 123.784 120.500 -0.281 0.000 2.670 887 R HA 0.623 4.962 4.340 -0.001 0.000 0.289 887 R C -0.877 175.259 176.300 -0.273 0.000 0.965 887 R CA -1.040 54.898 56.100 -0.270 0.000 0.899 887 R CB 1.930 32.072 30.300 -0.263 0.000 1.173 887 R HN 0.445 nan 8.270 nan 0.000 0.456 888 I N 3.920 124.450 120.570 -0.066 0.000 2.583 888 I HA 0.245 4.414 4.170 -0.001 0.000 0.276 888 I C -2.314 173.959 176.117 0.259 0.000 1.089 888 I CA -2.062 59.260 61.300 0.036 0.000 1.103 888 I CB 2.056 40.105 38.000 0.081 0.000 1.209 888 I HN 0.277 nan 8.210 nan 0.000 0.484 889 P HA 0.040 nan 4.420 nan 0.000 0.276 889 P C -0.392 177.174 177.300 0.444 0.000 1.230 889 P CA -0.214 63.010 63.100 0.206 0.000 0.776 889 P CB 0.909 32.688 31.700 0.132 0.000 0.888 890 F N 2.971 122.904 119.950 -0.028 0.000 2.659 890 F HA 0.259 4.785 4.527 -0.001 0.000 0.360 890 F C 0.422 176.290 175.800 0.113 0.000 1.218 890 F CA -0.152 57.834 58.000 -0.024 0.000 1.317 890 F CB -0.642 38.128 39.000 -0.383 0.000 1.697 890 F HN 0.122 nan 8.300 nan 0.000 0.637 891 S N 0.629 116.455 115.700 0.210 0.000 2.521 891 S HA 0.311 4.781 4.470 -0.001 0.000 0.295 891 S C 1.004 175.584 174.600 -0.034 0.000 1.098 891 S CA -0.074 58.158 58.200 0.053 0.000 0.999 891 S CB 1.283 64.537 63.200 0.090 0.000 1.034 891 S HN 0.501 nan 8.310 nan 0.000 0.483 892 S N 3.380 119.018 115.700 -0.104 0.000 2.440 892 S HA -0.174 4.295 4.470 -0.001 0.000 0.240 892 S C 0.870 175.287 174.600 -0.305 0.000 1.014 892 S CA 1.776 59.868 58.200 -0.180 0.000 0.980 892 S CB -0.631 62.494 63.200 -0.126 0.000 0.775 892 S HN 0.880 nan 8.310 nan 0.000 0.499 893 N N -1.158 117.407 118.700 -0.225 0.000 2.241 893 N HA 0.206 4.945 4.740 -0.001 0.000 0.238 893 N C -0.020 175.516 175.510 0.044 0.000 1.244 893 N CA -0.383 52.572 53.050 -0.158 0.000 0.880 893 N CB -0.636 37.824 38.487 -0.045 0.000 1.179 893 N HN 0.214 nan 8.380 nan 0.000 0.513 894 F N -1.176 118.848 119.950 0.123 0.000 2.825 894 F HA -0.279 4.247 4.527 -0.001 0.000 0.358 894 F C 0.438 176.257 175.800 0.032 0.000 0.639 894 F CA 0.433 58.488 58.000 0.090 0.000 1.153 894 F CB -2.025 37.003 39.000 0.046 0.000 1.610 894 F HN 0.141 nan 8.300 nan 0.000 0.305 895 M N -0.286 119.432 119.600 0.197 0.000 2.247 895 M HA 0.332 4.811 4.480 -0.001 0.000 0.326 895 M C 0.724 177.061 176.300 0.061 0.000 1.134 895 M CA 0.021 55.391 55.300 0.116 0.000 1.136 895 M CB 0.905 33.584 32.600 0.131 0.000 1.454 895 M HN -0.065 nan 8.290 nan 0.000 0.467 896 S N 2.341 118.057 115.700 0.026 0.000 2.399 896 S HA 0.387 4.857 4.470 -0.001 0.000 0.301 896 S C 0.301 174.909 174.600 0.013 0.000 1.093 896 S CA -0.382 57.820 58.200 0.004 0.000 1.077 896 S CB 0.209 63.395 63.200 -0.023 0.000 0.980 896 S HN 0.644 nan 8.310 nan 0.000 0.494 897 M N 2.278 121.887 119.600 0.015 0.000 2.416 897 M HA 0.327 4.806 4.480 -0.001 0.000 0.337 897 M C 0.599 176.908 176.300 0.016 0.000 1.074 897 M CA -0.207 55.102 55.300 0.015 0.000 0.968 897 M CB 0.983 33.591 32.600 0.014 0.000 1.472 897 M HN 0.757 nan 8.290 nan 0.000 0.539 898 G N -0.245 108.565 108.800 0.015 0.000 2.343 898 G HA2 0.357 4.316 3.960 -0.001 0.000 0.298 898 G HA3 0.357 4.316 3.960 -0.001 0.000 0.298 898 G C 0.019 174.940 174.900 0.035 0.000 1.644 898 G CA -0.452 44.664 45.100 0.027 0.000 0.958 898 G HN 0.049 nan 8.290 nan 0.000 0.702 899 A N 0.378 123.231 122.820 0.055 0.000 1.865 899 A HA 0.161 4.480 4.320 -0.001 0.000 0.217 899 A C 1.612 179.315 177.584 0.198 0.000 1.191 899 A CA 2.018 54.093 52.037 0.062 0.000 0.623 899 A CB -0.383 18.691 19.000 0.123 0.000 0.826 899 A HN 1.732 nan 8.150 nan 0.000 0.444 900 L N 2.461 123.874 121.223 0.318 0.000 2.363 900 L HA 0.275 4.615 4.340 -0.001 0.000 0.286 900 L C 0.900 177.865 176.870 0.159 0.000 1.106 900 L CA 0.345 55.382 54.840 0.328 0.000 0.859 900 L CB -0.573 41.570 42.059 0.140 0.000 1.223 900 L HN 0.446 nan 8.230 nan 0.000 0.446 901 T N 0.180 114.818 114.554 0.140 0.000 2.795 901 T HA 0.047 4.396 4.350 -0.001 0.000 0.314 901 T C 1.127 175.866 174.700 0.064 0.000 1.069 901 T CA 0.139 62.285 62.100 0.076 0.000 1.071 901 T CB 0.487 69.392 68.868 0.061 0.000 0.988 901 T HN 0.704 nan 8.240 nan 0.000 0.543 902 D N 1.309 121.722 120.400 0.023 0.000 2.144 902 D HA -0.128 4.511 4.640 -0.001 0.000 0.200 902 D C 2.023 178.327 176.300 0.008 0.000 0.978 902 D CA 1.083 55.090 54.000 0.012 0.000 0.833 902 D CB -0.506 40.288 40.800 -0.010 0.000 0.961 902 D HN 0.580 nan 8.370 nan 0.000 0.470 903 L N 0.376 121.558 121.223 -0.067 0.000 2.217 903 L HA 0.087 4.426 4.340 -0.001 0.000 0.211 903 L C 2.661 179.563 176.870 0.054 0.000 1.107 903 L CA 1.106 55.856 54.840 -0.149 0.000 0.783 903 L CB -0.509 41.117 42.059 -0.722 0.000 0.919 903 L HN 0.181 nan 8.230 nan 0.000 0.442 904 G N -0.831 108.060 108.800 0.151 0.000 2.509 904 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.218 904 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.218 904 G C 1.396 176.438 174.900 0.236 0.000 1.124 904 G CA 0.204 45.483 45.100 0.299 0.000 0.776 904 G HN 0.434 nan 8.290 nan 0.000 0.547 905 Q N -0.372 119.526 119.800 0.164 0.000 2.282 905 Q HA 0.120 4.459 4.340 -0.001 0.000 0.206 905 Q C 0.542 176.618 176.000 0.127 0.000 0.878 905 Q CA -0.528 55.349 55.803 0.123 0.000 0.944 905 Q CB 0.393 29.175 28.738 0.072 0.000 1.100 905 Q HN 0.277 nan 8.270 nan 0.000 0.509 906 N N 1.368 120.173 118.700 0.175 0.000 2.468 906 N HA -0.019 4.721 4.740 -0.001 0.000 0.265 906 N C 0.802 176.381 175.510 0.115 0.000 1.199 906 N CA 0.169 53.303 53.050 0.140 0.000 0.928 906 N CB 0.833 39.429 38.487 0.182 0.000 1.059 906 N HN 0.257 nan 8.380 nan 0.000 0.467 907 L N 3.331 124.583 121.223 0.047 0.000 2.189 907 L HA -0.236 4.103 4.340 -0.001 0.000 0.214 907 L C 2.217 179.086 176.870 -0.002 0.000 1.097 907 L CA 0.766 55.624 54.840 0.029 0.000 0.764 907 L CB -0.268 41.795 42.059 0.007 0.000 0.900 907 L HN 0.584 nan 8.230 nan 0.000 0.436 908 L N -1.151 120.013 121.223 -0.098 0.000 2.131 908 L HA -0.219 4.121 4.340 -0.001 0.000 0.210 908 L C 1.619 178.332 176.870 -0.262 0.000 1.092 908 L CA 1.886 56.574 54.840 -0.253 0.000 0.759 908 L CB -0.494 41.261 42.059 -0.506 0.000 0.903 908 L HN 0.178 nan 8.230 nan 0.000 0.435 909 Y N -1.416 118.957 120.300 0.122 0.000 2.485 909 Y HA 0.486 5.036 4.550 -0.001 0.000 0.260 909 Y C 1.821 177.840 175.900 0.199 0.000 1.173 909 Y CA 0.195 58.407 58.100 0.187 0.000 1.252 909 Y CB -0.351 38.212 38.460 0.171 0.000 1.123 909 Y HN 0.222 nan 8.280 nan 0.000 0.524 910 A N -0.056 122.896 122.820 0.220 0.000 1.988 910 A HA 0.048 4.367 4.320 -0.001 0.000 0.201 910 A C 1.528 179.167 177.584 0.091 0.000 1.410 910 A CA 0.456 52.584 52.037 0.151 0.000 0.832 910 A CB -0.305 18.763 19.000 0.113 0.000 0.981 910 A HN 0.385 nan 8.150 nan 0.000 0.492 911 N N 0.399 119.137 118.700 0.063 0.000 2.521 911 N HA 0.045 4.784 4.740 -0.001 0.000 0.188 911 N C -0.196 175.318 175.510 0.006 0.000 1.146 911 N CA 0.593 53.659 53.050 0.027 0.000 0.893 911 N CB 0.133 38.627 38.487 0.012 0.000 0.975 911 N HN 0.482 nan 8.380 nan 0.000 0.451 912 S N -0.873 114.835 115.700 0.014 0.000 2.547 912 S HA 0.687 5.157 4.470 -0.001 0.000 0.270 912 S C -0.905 173.618 174.600 -0.127 0.000 1.150 912 S CA -1.196 56.958 58.200 -0.078 0.000 0.850 912 S CB 1.728 64.841 63.200 -0.145 0.000 1.118 912 S HN 0.053 nan 8.310 nan 0.000 0.461 913 A N 1.769 124.481 122.820 -0.180 0.000 2.271 913 A HA 0.798 5.117 4.320 -0.001 0.000 0.288 913 A C -0.235 177.155 177.584 -0.323 0.000 1.094 913 A CA -0.400 51.579 52.037 -0.097 0.000 0.828 913 A CB 0.284 19.256 19.000 -0.046 0.000 1.091 913 A HN 0.893 nan 8.150 nan 0.000 0.493 914 H N -1.002 118.260 119.070 0.320 0.000 3.012 914 H HA 0.571 5.126 4.556 -0.001 0.000 0.367 914 H C -0.353 175.257 175.328 0.470 0.000 1.211 914 H CA -0.080 56.171 56.048 0.339 0.000 1.139 914 H CB 1.980 31.910 29.762 0.281 0.000 1.838 914 H HN 0.907 nan 8.280 nan 0.000 0.550 915 A N 1.692 124.792 122.820 0.467 0.000 2.295 915 A HA 0.574 4.893 4.320 -0.001 0.000 0.318 915 A C -0.916 176.885 177.584 0.360 0.000 1.134 915 A CA -0.506 51.757 52.037 0.376 0.000 0.827 915 A CB 0.985 20.121 19.000 0.227 0.000 1.136 915 A HN 0.392 nan 8.150 nan 0.000 0.493 916 L N 1.081 122.473 121.223 0.282 0.000 2.386 916 L HA 0.660 4.999 4.340 -0.001 0.000 0.271 916 L C -1.673 175.214 176.870 0.028 0.000 0.993 916 L CA -0.253 54.607 54.840 0.033 0.000 0.819 916 L CB 2.150 44.180 42.059 -0.049 0.000 1.294 916 L HN 0.614 nan 8.230 nan 0.000 0.414 917 D N 5.877 126.222 120.400 -0.093 0.000 2.505 917 D HA 0.558 5.197 4.640 -0.001 0.000 0.249 917 D C -0.782 175.422 176.300 -0.160 0.000 1.082 917 D CA -0.000 53.959 54.000 -0.067 0.000 0.839 917 D CB 2.263 43.036 40.800 -0.045 0.000 1.317 917 D HN 0.531 nan 8.370 nan 0.000 0.497 918 M N 0.904 120.423 119.600 -0.135 0.000 2.395 918 M HA 0.353 4.832 4.480 -0.001 0.000 0.307 918 M C -0.853 175.324 176.300 -0.205 0.000 1.091 918 M CA -0.532 54.609 55.300 -0.266 0.000 0.919 918 M CB 2.688 35.135 32.600 -0.254 0.000 1.662 918 M HN 0.061 nan 8.290 nan 0.000 0.440 919 T N 2.730 117.077 114.554 -0.345 0.000 2.840 919 T HA 0.637 4.987 4.350 -0.001 0.000 0.287 919 T C -1.146 173.352 174.700 -0.337 0.000 0.991 919 T CA -0.421 61.561 62.100 -0.196 0.000 0.964 919 T CB 0.635 69.420 68.868 -0.138 0.000 0.954 919 T HN 0.260 nan 8.240 nan 0.000 0.438 920 F N 1.748 121.609 119.950 -0.148 0.000 2.458 920 F HA 0.498 5.024 4.527 -0.001 0.000 0.336 920 F C 0.679 176.429 175.800 -0.084 0.000 1.114 920 F CA -1.093 56.834 58.000 -0.123 0.000 0.987 920 F CB 1.541 40.485 39.000 -0.094 0.000 1.130 920 F HN 0.471 nan 8.300 nan 0.000 0.458 921 E N 3.247 123.499 120.200 0.087 0.000 2.151 921 E HA 0.650 4.999 4.350 -0.001 0.000 0.275 921 E C -1.416 175.194 176.600 0.016 0.000 0.936 921 E CA -0.689 55.726 56.400 0.025 0.000 0.777 921 E CB 1.632 31.324 29.700 -0.012 0.000 1.108 921 E HN 0.554 nan 8.360 nan 0.000 0.401 922 V N 0.654 120.535 119.914 -0.055 0.000 3.130 922 V HA 0.504 4.624 4.120 -0.001 0.000 0.310 922 V C -0.578 175.442 176.094 -0.124 0.000 1.158 922 V CA -1.156 61.048 62.300 -0.159 0.000 1.029 922 V CB 1.894 33.507 31.823 -0.350 0.000 1.057 922 V HN 0.547 nan 8.190 nan 0.000 0.436 923 D N 3.256 123.570 120.400 -0.143 0.000 2.382 923 D HA 0.355 4.994 4.640 -0.001 0.000 0.245 923 D C -2.359 173.884 176.300 -0.096 0.000 1.120 923 D CA -0.727 53.218 54.000 -0.092 0.000 0.890 923 D CB 1.230 41.981 40.800 -0.082 0.000 1.201 923 D HN 0.647 nan 8.370 nan 0.000 0.433 924 P HA 0.178 nan 4.420 nan 0.000 0.275 924 P C -0.656 176.621 177.300 -0.038 0.000 1.228 924 P CA -0.240 62.832 63.100 -0.047 0.000 0.786 924 P CB 0.927 32.612 31.700 -0.024 0.000 0.927 925 M N 1.587 121.165 119.600 -0.037 0.000 2.327 925 M HA 0.173 4.652 4.480 -0.001 0.000 0.298 925 M C 0.052 176.349 176.300 -0.006 0.000 1.065 925 M CA -0.498 54.791 55.300 -0.018 0.000 0.916 925 M CB 2.081 34.661 32.600 -0.034 0.000 1.630 925 M HN 0.201 nan 8.290 nan 0.000 0.442 926 D N 3.538 123.945 120.400 0.012 0.000 2.977 926 D HA 0.044 4.683 4.640 -0.001 0.000 0.241 926 D C -0.629 175.676 176.300 0.008 0.000 1.206 926 D CA 0.504 54.511 54.000 0.013 0.000 0.902 926 D CB 0.217 41.032 40.800 0.026 0.000 1.131 926 D HN 0.598 nan 8.370 nan 0.000 0.447 927 E N -1.320 118.879 120.200 -0.001 0.000 2.388 927 E HA 0.335 4.684 4.350 -0.001 0.000 0.281 927 E C -3.110 173.481 176.600 -0.016 0.000 1.046 927 E CA -1.959 54.438 56.400 -0.006 0.000 0.825 927 E CB 0.612 30.313 29.700 0.001 0.000 1.243 927 E HN -0.176 nan 8.360 nan 0.000 0.438 928 P HA 0.092 nan 4.420 nan 0.000 0.265 928 P C -0.642 176.643 177.300 -0.025 0.000 1.193 928 P CA 0.446 63.532 63.100 -0.023 0.000 0.765 928 P CB 0.746 32.431 31.700 -0.025 0.000 0.823 929 T N 0.355 114.893 114.554 -0.028 0.000 2.804 929 T HA 0.791 5.140 4.350 -0.001 0.000 0.290 929 T C -0.874 173.815 174.700 -0.018 0.000 1.099 929 T CA -0.903 61.179 62.100 -0.030 0.000 1.011 929 T CB 0.850 69.685 68.868 -0.054 0.000 1.291 929 T HN 0.118 nan 8.240 nan 0.000 0.523 930 L N 0.706 121.927 121.223 -0.005 0.000 2.431 930 L HA 0.608 4.947 4.340 -0.001 0.000 0.266 930 L C -1.365 175.545 176.870 0.067 0.000 0.978 930 L CA -1.227 53.627 54.840 0.022 0.000 0.822 930 L CB 2.240 44.298 42.059 -0.002 0.000 1.310 930 L HN 0.599 nan 8.230 nan 0.000 0.409 931 L N 3.116 124.397 121.223 0.096 0.000 2.265 931 L HA 0.365 4.704 4.340 -0.001 0.000 0.288 931 L C -1.085 175.931 176.870 0.244 0.000 1.058 931 L CA 0.021 54.929 54.840 0.115 0.000 0.809 931 L CB 0.578 42.619 42.059 -0.030 0.000 1.179 931 L HN 0.420 nan 8.230 nan 0.000 0.429 932 Y N 6.145 126.511 120.300 0.111 0.000 2.504 932 Y HA 0.533 5.083 4.550 -0.001 0.000 0.339 932 Y C -1.073 174.904 175.900 0.129 0.000 0.974 932 Y CA -1.359 56.815 58.100 0.123 0.000 1.232 932 Y CB 0.829 39.377 38.460 0.147 0.000 1.108 932 Y HN 0.345 nan 8.280 nan 0.000 0.509 933 V N 7.551 127.648 119.914 0.305 0.000 2.398 933 V HA 0.311 4.430 4.120 -0.001 0.000 0.286 933 V C -0.343 175.770 176.094 0.032 0.000 1.026 933 V CA -0.910 61.457 62.300 0.112 0.000 0.868 933 V CB 1.546 33.490 31.823 0.203 0.000 0.982 933 V HN 0.496 nan 8.190 nan 0.000 0.443 934 L N 5.558 126.682 121.223 -0.165 0.000 2.262 934 L HA 0.496 4.835 4.340 -0.001 0.000 0.288 934 L C -0.554 176.227 176.870 -0.149 0.000 1.035 934 L CA 0.052 54.810 54.840 -0.137 0.000 0.820 934 L CB 0.739 42.637 42.059 -0.268 0.000 1.204 934 L HN 0.499 nan 8.230 nan 0.000 0.424 935 F N 2.079 122.016 119.950 -0.022 0.000 2.375 935 F HA 0.231 4.758 4.527 -0.001 0.000 0.362 935 F C 1.121 176.836 175.800 -0.142 0.000 1.129 935 F CA -0.508 57.473 58.000 -0.030 0.000 1.154 935 F CB 0.642 39.481 39.000 -0.269 0.000 1.205 935 F HN 0.430 nan 8.300 nan 0.000 0.513 936 E N 3.574 123.663 120.200 -0.186 0.000 2.257 936 E HA 0.397 4.747 4.350 -0.001 0.000 0.278 936 E C -0.127 176.309 176.600 -0.274 0.000 1.049 936 E CA -0.322 55.895 56.400 -0.305 0.000 0.876 936 E CB 1.101 30.538 29.700 -0.439 0.000 1.035 936 E HN 0.498 nan 8.360 nan 0.000 0.419 937 V N -0.138 119.658 119.914 -0.197 0.000 3.109 937 V HA 0.573 4.692 4.120 -0.001 0.000 0.311 937 V C -1.170 174.761 176.094 -0.271 0.000 1.389 937 V CA -1.109 61.144 62.300 -0.079 0.000 1.034 937 V CB 0.966 32.876 31.823 0.144 0.000 1.105 937 V HN 0.414 nan 8.190 nan 0.000 0.477 938 F N 0.978 120.929 119.950 0.001 0.000 2.427 938 F HA 0.686 5.212 4.527 -0.001 0.000 0.346 938 F C -0.115 175.679 175.800 -0.009 0.000 1.120 938 F CA -0.147 57.840 58.000 -0.021 0.000 1.033 938 F CB 1.469 40.470 39.000 0.002 0.000 1.126 938 F HN 0.580 nan 8.300 nan 0.000 0.462 939 D N 4.053 124.488 120.400 0.057 0.000 2.432 939 D HA 0.421 5.060 4.640 -0.001 0.000 0.265 939 D C -0.957 175.379 176.300 0.060 0.000 1.160 939 D CA 0.032 54.035 54.000 0.006 0.000 0.911 939 D CB 0.897 41.562 40.800 -0.225 0.000 1.052 939 D HN 0.160 nan 8.370 nan 0.000 0.508 940 V N 1.526 121.567 119.914 0.213 0.000 3.096 940 V HA 0.728 4.847 4.120 -0.001 0.000 0.319 940 V C 0.091 176.317 176.094 0.221 0.000 1.103 940 V CA -0.850 61.599 62.300 0.248 0.000 1.016 940 V CB 2.292 34.213 31.823 0.164 0.000 1.090 940 V HN 0.213 nan 8.190 nan 0.000 0.449 941 V N 1.385 121.365 119.914 0.111 0.000 2.932 941 V HA 0.576 4.696 4.120 -0.001 0.000 0.307 941 V C -0.623 175.427 176.094 -0.074 0.000 1.147 941 V CA -0.787 61.414 62.300 -0.165 0.000 0.951 941 V CB 2.111 33.626 31.823 -0.513 0.000 1.031 941 V HN 0.891 nan 8.190 nan 0.000 0.426 942 R N 2.236 122.681 120.500 -0.092 0.000 2.480 942 R HA 0.802 5.141 4.340 -0.001 0.000 0.306 942 R C -1.792 174.499 176.300 -0.015 0.000 0.958 942 R CA -0.359 55.714 56.100 -0.045 0.000 0.861 942 R CB 2.009 32.288 30.300 -0.036 0.000 1.171 942 R HN 0.582 nan 8.270 nan 0.000 0.445 943 V N 3.841 123.772 119.914 0.028 0.000 2.483 943 V HA 0.308 4.428 4.120 -0.001 0.000 0.295 943 V C -0.685 175.489 176.094 0.132 0.000 1.035 943 V CA -0.736 61.610 62.300 0.078 0.000 0.896 943 V CB 1.317 33.203 31.823 0.105 0.000 0.986 943 V HN 0.721 nan 8.190 nan 0.000 0.447 944 H N 3.394 122.476 119.070 0.020 0.000 2.609 944 H HA 0.514 5.069 4.556 -0.001 0.000 0.344 944 H C -0.573 174.773 175.328 0.030 0.000 1.040 944 H CA -0.526 55.531 56.048 0.015 0.000 1.216 944 H CB 1.624 31.396 29.762 0.016 0.000 1.529 944 H HN 0.634 nan 8.280 nan 0.000 0.519 945 Q N 6.910 126.527 119.800 -0.305 0.000 2.849 945 Q HA 0.188 4.528 4.340 -0.001 0.000 0.289 945 Q C -2.042 173.716 176.000 -0.404 0.000 1.012 945 Q CA -1.790 53.873 55.803 -0.232 0.000 0.899 945 Q CB 1.774 30.470 28.738 -0.070 0.000 1.235 945 Q HN 0.604 nan 8.270 nan 0.000 0.457 946 P HA -0.156 nan 4.420 nan 0.000 0.217 946 P C -0.303 176.572 177.300 -0.708 0.000 1.150 946 P CA 1.407 64.116 63.100 -0.652 0.000 0.832 946 P CB 0.478 31.887 31.700 -0.485 0.000 0.787 947 H N -3.029 115.997 119.070 -0.073 0.000 2.980 947 H HA 0.593 5.149 4.556 -0.001 0.000 0.367 947 H C 0.281 175.604 175.328 -0.008 0.000 1.206 947 H CA -0.855 55.177 56.048 -0.027 0.000 1.126 947 H CB 0.717 30.470 29.762 -0.014 0.000 1.838 947 H HN -0.130 nan 8.280 nan 0.000 0.552 948 R N 0.749 121.323 120.500 0.123 0.000 2.523 948 R HA 0.356 4.695 4.340 -0.001 0.000 0.281 948 R C 1.282 177.593 176.300 0.018 0.000 0.969 948 R CA 0.727 56.862 56.100 0.058 0.000 1.093 948 R CB -1.753 28.565 30.300 0.030 0.000 0.917 948 R HN 1.469 nan 8.270 nan 0.000 0.408 949 G N -0.001 108.770 108.800 -0.048 0.000 2.153 949 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.252 949 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.252 949 G C 0.053 174.957 174.900 0.006 0.000 0.994 949 G CA 0.405 45.380 45.100 -0.209 0.000 0.698 949 G HN 1.485 nan 8.290 nan 0.000 0.521 950 V N 1.053 121.049 119.914 0.137 0.000 2.540 950 V HA 0.736 4.856 4.120 -0.001 0.000 0.302 950 V C 0.173 176.365 176.094 0.164 0.000 1.035 950 V CA -0.763 61.626 62.300 0.148 0.000 0.873 950 V CB 1.882 33.781 31.823 0.127 0.000 0.992 950 V HN 0.338 nan 8.190 nan 0.000 0.428 951 I N 3.699 124.368 120.570 0.166 0.000 2.500 951 I HA 0.546 4.715 4.170 -0.001 0.000 0.286 951 I C -0.569 175.624 176.117 0.126 0.000 1.063 951 I CA -0.479 60.895 61.300 0.124 0.000 1.062 951 I CB 2.124 40.189 38.000 0.110 0.000 1.223 951 I HN 0.541 nan 8.210 nan 0.000 0.435 952 E N 4.068 124.347 120.200 0.132 0.000 2.199 952 E HA 0.589 4.938 4.350 -0.001 0.000 0.269 952 E C -0.735 175.958 176.600 0.155 0.000 0.899 952 E CA -0.699 55.796 56.400 0.159 0.000 0.772 952 E CB 2.467 32.287 29.700 0.201 0.000 1.155 952 E HN 0.676 nan 8.360 nan 0.000 0.408 953 T N -1.368 113.281 114.554 0.159 0.000 2.876 953 T HA 0.600 4.950 4.350 -0.001 0.000 0.289 953 T C -0.620 174.178 174.700 0.163 0.000 1.014 953 T CA -0.804 61.374 62.100 0.130 0.000 0.986 953 T CB 1.231 70.193 68.868 0.157 0.000 1.021 953 T HN 0.125 nan 8.240 nan 0.000 0.458 954 V N 3.353 123.315 119.914 0.079 0.000 2.378 954 V HA 0.427 4.546 4.120 -0.001 0.000 0.288 954 V C -1.249 174.904 176.094 0.099 0.000 1.016 954 V CA -0.849 61.522 62.300 0.120 0.000 0.840 954 V CB 0.543 32.401 31.823 0.059 0.000 0.994 954 V HN 0.886 nan 8.190 nan 0.000 0.431 955 Y N 4.965 125.328 120.300 0.105 0.000 2.361 955 Y HA 0.772 5.321 4.550 -0.001 0.000 0.332 955 Y C -0.165 175.808 175.900 0.121 0.000 1.101 955 Y CA -0.880 57.303 58.100 0.138 0.000 1.137 955 Y CB 1.878 40.437 38.460 0.164 0.000 1.207 955 Y HN 0.526 nan 8.280 nan 0.000 0.463 956 L N 4.295 125.686 121.223 0.279 0.000 2.493 956 L HA 0.574 4.913 4.340 -0.001 0.000 0.265 956 L C -1.442 175.553 176.870 0.209 0.000 0.954 956 L CA -0.837 54.121 54.840 0.196 0.000 0.844 956 L CB 1.814 43.945 42.059 0.120 0.000 1.302 956 L HN 0.689 nan 8.230 nan 0.000 0.405 957 R N 3.289 123.900 120.500 0.186 0.000 2.500 957 R HA 0.763 5.102 4.340 -0.001 0.000 0.299 957 R C -1.668 174.731 176.300 0.166 0.000 1.038 957 R CA 0.031 56.242 56.100 0.186 0.000 0.903 957 R CB 1.465 31.875 30.300 0.183 0.000 1.177 957 R HN 0.859 nan 8.270 nan 0.000 0.455 958 T N 2.119 116.791 114.554 0.197 0.000 2.993 958 T HA 0.526 4.875 4.350 -0.001 0.000 0.312 958 T C -2.744 172.122 174.700 0.277 0.000 1.115 958 T CA -1.617 60.591 62.100 0.179 0.000 1.027 958 T CB 2.342 71.277 68.868 0.111 0.000 1.116 958 T HN 0.294 nan 8.240 nan 0.000 0.464 959 P HA 0.363 nan 4.420 nan 0.000 0.302 959 P C -0.214 177.207 177.300 0.201 0.000 1.301 959 P CA -0.339 62.822 63.100 0.102 0.000 0.745 959 P CB -0.009 31.655 31.700 -0.060 0.000 1.331 960 F N -3.233 116.600 119.950 -0.196 0.000 2.905 960 F HA -0.179 4.348 4.527 -0.001 0.000 0.311 960 F C 0.416 176.174 175.800 -0.069 0.000 1.005 960 F CA 0.245 58.142 58.000 -0.172 0.000 1.029 960 F CB -2.704 36.204 39.000 -0.154 0.000 1.151 960 F HN -0.030 nan 8.300 nan 0.000 0.805 961 S N 0.166 115.881 115.700 0.025 0.000 2.572 961 S HA 0.649 5.118 4.470 -0.001 0.000 0.279 961 S C 0.890 175.523 174.600 0.054 0.000 1.341 961 S CA -0.398 57.833 58.200 0.053 0.000 1.043 961 S CB 1.247 64.457 63.200 0.016 0.000 0.887 961 S HN 0.735 nan 8.310 nan 0.000 0.516 962 A N 0.000 122.865 122.820 0.075 0.000 2.254 962 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 962 A CA 0.000 52.074 52.037 0.061 0.000 0.836 962 A CB 0.000 19.039 19.000 0.065 0.000 0.831 962 A HN 0.000 nan 8.150 nan 0.000 0.486