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 2fkn_1_A DATA FIRST_RESID 7 DATA SEQUENCE SIRANRGTEL ECLGWEQEAV LRMLRNNLDP EVAEKPEDLI VYGGIGKAAR DATA SEQUENCE DWDAFHAIEH SLKTLKNDET LLVQSGKPVG MFRTHPQAPR VLLANSVLVP DATA SEQUENCE KWADWEHFHE LEKKGLMMYG QMTAGSWIYI GSQGILQGTY ETFAELARQH DATA SEQUENCE FGGSLKGTLT LTAGLGGMGG AQPLSVTMNE GVVIAVEVDE KRIDKRIETK DATA SEQUENCE YCDRKTASIE EALAWAEEAK LAGKPLSIAL LGNAAEVHHT LLNRGVKIDI DATA SEQUENCE VTDQTSAHDP LIGYVPEGYS LDEADRLRQD TPELYVRLAK QSMKKHVEAM DATA SEQUENCE LAFQQKGSIV FDYGNNIRQV AKDEGLENAF DFPGFVPAYI RPLFCEGKGP DATA SEQUENCE FRWAALSGDP ADIYRTDALL KELFPTNKAL HRWIDMAQEK VTFQGLPSRI DATA SEQUENCE CWLGYGERKK MGLAINELVR TGELKAPVVI GRDHLDCGSV ASPNRETEAM DATA SEQUENCE KDGSDAVGDW AVLNALVNTA AGASWVSFHH GGGVGMGYSL HAGMVAVADG DATA SEQUENCE SELADERLAR VLTSDPGMGI IRHADAGYER AVEVAKEQDI IVPM 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.607 174.600 0.012 0.000 1.055 7 S CA 0.000 58.194 58.200 -0.009 0.000 1.107 7 S CB 0.000 63.203 63.200 0.005 0.000 0.593 8 I N 3.849 124.436 120.570 0.028 0.000 2.385 8 I HA 0.684 4.849 4.170 -0.009 0.000 0.294 8 I C 0.328 176.494 176.117 0.083 0.000 0.988 8 I CA -0.558 60.782 61.300 0.067 0.000 1.265 8 I CB 1.554 39.598 38.000 0.074 0.000 1.388 8 I HN 0.836 nan 8.210 nan 0.000 0.480 9 R N 5.430 125.984 120.500 0.090 0.000 2.668 9 R HA 0.745 5.079 4.340 -0.009 0.000 0.272 9 R C -1.398 174.955 176.300 0.087 0.000 1.019 9 R CA -0.765 55.387 56.100 0.087 0.000 0.894 9 R CB 1.516 31.858 30.300 0.072 0.000 1.228 9 R HN 0.601 nan 8.270 nan 0.000 0.460 10 A N 2.794 125.667 122.820 0.089 0.000 2.531 10 A HA 0.114 4.429 4.320 -0.009 0.000 0.236 10 A C -0.243 177.385 177.584 0.073 0.000 1.062 10 A CA -0.161 51.927 52.037 0.084 0.000 0.760 10 A CB -0.047 19.010 19.000 0.095 0.000 0.995 10 A HN 0.772 nan 8.150 nan 0.000 0.501 11 N N 0.912 119.652 118.700 0.067 0.000 2.479 11 N HA 0.226 4.961 4.740 -0.009 0.000 0.257 11 N C 0.172 175.729 175.510 0.078 0.000 1.232 11 N CA 0.231 53.316 53.050 0.058 0.000 0.920 11 N CB 0.376 38.886 38.487 0.038 0.000 1.105 11 N HN 0.569 nan 8.380 nan 0.000 0.444 12 R N 0.650 121.192 120.500 0.069 0.000 2.828 12 R HA 0.729 5.064 4.340 -0.009 0.000 0.264 12 R C 0.551 176.907 176.300 0.094 0.000 1.022 12 R CA -0.530 55.617 56.100 0.079 0.000 1.021 12 R CB 0.752 31.085 30.300 0.055 0.000 1.163 12 R HN 0.784 nan 8.270 nan 0.000 0.494 13 G N -0.213 108.655 108.800 0.113 0.000 2.627 13 G HA2 -0.302 3.653 3.960 -0.009 0.000 0.214 13 G HA3 -0.302 3.653 3.960 -0.009 0.000 0.214 13 G C 0.268 175.307 174.900 0.233 0.000 1.331 13 G CA 0.037 45.214 45.100 0.129 0.000 0.891 13 G HN 0.636 nan 8.290 nan 0.000 0.539 14 T N -2.128 112.550 114.554 0.207 0.000 3.054 14 T HA 0.443 4.788 4.350 -0.009 0.000 0.255 14 T C 0.552 175.316 174.700 0.107 0.000 1.035 14 T CA 0.966 63.257 62.100 0.318 0.000 0.941 14 T CB 0.332 69.360 68.868 0.268 0.000 1.026 14 T HN 0.601 nan 8.240 nan 0.000 0.533 15 E N 1.374 121.582 120.200 0.012 0.000 2.259 15 E HA 0.432 4.777 4.350 -0.009 0.000 0.281 15 E C -0.971 175.505 176.600 -0.208 0.000 1.027 15 E CA -0.649 55.701 56.400 -0.084 0.000 0.838 15 E CB 0.832 30.506 29.700 -0.042 0.000 1.066 15 E HN 0.194 nan 8.360 nan 0.000 0.401 16 L N 2.468 123.510 121.223 -0.302 0.000 2.360 16 L HA 0.204 4.539 4.340 -0.009 0.000 0.271 16 L C 1.101 177.836 176.870 -0.225 0.000 1.057 16 L CA 0.391 55.000 54.840 -0.384 0.000 0.803 16 L CB 0.888 42.641 42.059 -0.511 0.000 1.207 16 L HN 0.626 nan 8.230 nan 0.000 0.445 17 E N -0.467 119.613 120.200 -0.200 0.000 2.465 17 E HA 0.174 4.519 4.350 -0.009 0.000 0.209 17 E C -0.320 176.194 176.600 -0.143 0.000 0.951 17 E CA 0.024 56.341 56.400 -0.137 0.000 0.997 17 E CB 0.654 30.292 29.700 -0.104 0.000 1.025 17 E HN 0.694 nan 8.360 nan 0.000 0.500 18 C N -0.282 118.916 119.300 -0.169 0.000 2.547 18 C HA 0.337 4.792 4.460 -0.009 0.000 0.411 18 C C 1.757 176.660 174.990 -0.145 0.000 1.424 18 C CA -0.652 58.279 59.018 -0.145 0.000 1.848 18 C CB 0.351 28.017 27.740 -0.123 0.000 2.062 18 C HN 0.305 nan 8.230 nan 0.000 0.504 19 L N 0.967 122.125 121.223 -0.107 0.000 2.492 19 L HA 0.277 4.612 4.340 -0.009 0.000 0.223 19 L C 1.005 177.830 176.870 -0.075 0.000 1.132 19 L CA 0.728 55.516 54.840 -0.086 0.000 0.850 19 L CB -0.696 41.328 42.059 -0.059 0.000 0.966 19 L HN 0.872 nan 8.230 nan 0.000 0.454 20 G N -3.070 105.687 108.800 -0.072 0.000 2.698 20 G HA2 0.232 4.187 3.960 -0.009 0.000 0.293 20 G HA3 0.232 4.187 3.960 -0.009 0.000 0.293 20 G C -0.975 173.931 174.900 0.009 0.000 1.437 20 G CA -0.689 44.399 45.100 -0.020 0.000 0.852 20 G HN -0.002 nan 8.290 nan 0.000 0.499 21 W N -0.330 120.993 121.300 0.038 0.000 2.374 21 W HA -0.009 4.645 4.660 -0.009 0.000 0.288 21 W C 2.395 178.962 176.519 0.079 0.000 1.218 21 W CA 1.404 58.779 57.345 0.050 0.000 1.245 21 W CB 0.490 29.979 29.460 0.048 0.000 1.126 21 W HN 0.803 nan 8.180 nan 0.000 0.545 22 E N 0.203 120.608 120.200 0.342 0.000 2.077 22 E HA -0.284 4.061 4.350 -0.009 0.000 0.193 22 E C 2.312 179.065 176.600 0.256 0.000 0.989 22 E CA 1.652 58.228 56.400 0.294 0.000 0.800 22 E CB -0.127 29.713 29.700 0.232 0.000 0.746 22 E HN 0.271 nan 8.360 nan 0.000 0.452 23 Q N 0.211 120.106 119.800 0.159 0.000 2.230 23 Q HA -0.124 4.211 4.340 -0.009 0.000 0.202 23 Q C 1.687 177.711 176.000 0.041 0.000 0.963 23 Q CA 0.871 56.721 55.803 0.078 0.000 0.866 23 Q CB -0.142 28.609 28.738 0.022 0.000 0.931 23 Q HN 0.321 nan 8.270 nan 0.000 0.452 24 E N 0.983 121.226 120.200 0.072 0.000 2.216 24 E HA 0.009 4.354 4.350 -0.009 0.000 0.192 24 E C 1.854 178.547 176.600 0.155 0.000 0.988 24 E CA 0.827 57.250 56.400 0.038 0.000 0.834 24 E CB 0.124 29.772 29.700 -0.085 0.000 0.772 24 E HN 0.424 nan 8.360 nan 0.000 0.479 25 A N 0.721 123.714 122.820 0.288 0.000 1.902 25 A HA -0.141 4.174 4.320 -0.009 0.000 0.217 25 A C 2.475 180.201 177.584 0.237 0.000 1.181 25 A CA 1.355 53.607 52.037 0.357 0.000 0.623 25 A CB -0.592 18.690 19.000 0.470 0.000 0.818 25 A HN 0.140 nan 8.150 nan 0.000 0.443 26 V N -0.242 119.674 119.914 0.004 0.000 2.261 26 V HA -0.237 3.878 4.120 -0.009 0.000 0.246 26 V C 2.470 178.381 176.094 -0.306 0.000 1.047 26 V CA 1.907 63.927 62.300 -0.467 0.000 1.015 26 V CB -0.964 30.584 31.823 -0.457 0.000 0.642 26 V HN 0.565 nan 8.190 nan 0.000 0.446 27 L N 0.249 121.352 121.223 -0.200 0.000 2.042 27 L HA -0.156 4.179 4.340 -0.009 0.000 0.210 27 L C 2.595 179.398 176.870 -0.112 0.000 1.076 27 L CA 1.923 56.639 54.840 -0.207 0.000 0.749 27 L CB -0.646 41.326 42.059 -0.145 0.000 0.893 27 L HN 0.192 nan 8.230 nan 0.000 0.432 28 R N -1.696 118.805 120.500 0.002 0.000 2.073 28 R HA -0.061 4.274 4.340 -0.009 0.000 0.229 28 R C 2.073 178.430 176.300 0.094 0.000 1.120 28 R CA 1.394 57.536 56.100 0.069 0.000 0.967 28 R CB -0.347 30.037 30.300 0.140 0.000 0.862 28 R HN 0.332 nan 8.270 nan 0.000 0.436 29 M N 0.512 120.196 119.600 0.140 0.000 2.229 29 M HA -0.084 4.391 4.480 -0.009 0.000 0.264 29 M C 2.226 178.620 176.300 0.157 0.000 1.063 29 M CA 1.076 56.522 55.300 0.242 0.000 1.114 29 M CB -0.897 31.997 32.600 0.490 0.000 1.387 29 M HN 0.134 nan 8.290 nan 0.000 0.420 30 L N 0.677 121.836 121.223 -0.107 0.000 2.017 30 L HA -0.142 4.193 4.340 -0.009 0.000 0.208 30 L C 2.448 179.264 176.870 -0.090 0.000 1.073 30 L CA 1.913 56.491 54.840 -0.438 0.000 0.745 30 L CB -0.585 40.890 42.059 -0.973 0.000 0.894 30 L HN 0.162 nan 8.230 nan 0.000 0.432 31 R N -0.429 120.068 120.500 -0.006 0.000 2.081 31 R HA -0.170 4.164 4.340 -0.009 0.000 0.235 31 R C 2.202 178.576 176.300 0.123 0.000 1.131 31 R CA 1.494 57.663 56.100 0.115 0.000 0.960 31 R CB -0.678 29.686 30.300 0.107 0.000 0.856 31 R HN 0.493 nan 8.270 nan 0.000 0.436 32 N N 0.872 119.648 118.700 0.126 0.000 2.205 32 N HA -0.170 4.565 4.740 -0.009 0.000 0.186 32 N C 1.346 176.970 175.510 0.190 0.000 1.015 32 N CA 1.270 54.410 53.050 0.150 0.000 0.862 32 N CB -0.154 38.428 38.487 0.158 0.000 0.986 32 N HN 0.086 nan 8.380 nan 0.000 0.429 33 N N -0.461 118.368 118.700 0.215 0.000 2.289 33 N HA 0.002 4.737 4.740 -0.009 0.000 0.184 33 N C 0.601 176.226 175.510 0.193 0.000 1.016 33 N CA 0.734 53.944 53.050 0.266 0.000 0.872 33 N CB 0.046 38.717 38.487 0.307 0.000 0.973 33 N HN 0.341 nan 8.380 nan 0.000 0.433 34 L N -0.683 120.624 121.223 0.140 0.000 2.728 34 L HA 0.186 4.521 4.340 -0.009 0.000 0.238 34 L C 0.124 177.057 176.870 0.105 0.000 1.143 34 L CA -0.281 54.617 54.840 0.096 0.000 0.937 34 L CB 0.101 42.181 42.059 0.035 0.000 1.225 34 L HN 0.025 nan 8.230 nan 0.000 0.507 35 D N 1.617 122.092 120.400 0.125 0.000 2.425 35 D HA 0.032 4.667 4.640 -0.009 0.000 0.247 35 D C -1.592 174.774 176.300 0.111 0.000 1.147 35 D CA -1.575 52.492 54.000 0.112 0.000 0.879 35 D CB 1.850 42.720 40.800 0.117 0.000 1.179 35 D HN -0.098 nan 8.370 nan 0.000 0.456 36 P HA -0.140 nan 4.420 nan 0.000 0.218 36 P C 0.646 178.003 177.300 0.096 0.000 1.146 36 P CA 1.210 64.361 63.100 0.085 0.000 0.813 36 P CB 0.276 32.016 31.700 0.066 0.000 0.778 37 E N -1.311 118.950 120.200 0.101 0.000 2.216 37 E HA -0.047 4.298 4.350 -0.009 0.000 0.192 37 E C 1.660 178.338 176.600 0.130 0.000 0.988 37 E CA 0.608 57.072 56.400 0.108 0.000 0.834 37 E CB -0.078 29.685 29.700 0.105 0.000 0.772 37 E HN 0.125 nan 8.360 nan 0.000 0.479 38 V N 1.036 121.042 119.914 0.152 0.000 2.490 38 V HA 0.096 4.211 4.120 -0.009 0.000 0.238 38 V C 1.081 177.347 176.094 0.287 0.000 1.056 38 V CA 0.753 63.180 62.300 0.211 0.000 1.075 38 V CB -0.152 31.810 31.823 0.232 0.000 0.746 38 V HN 0.154 nan 8.190 nan 0.000 0.479 39 A N 0.212 123.164 122.820 0.221 0.000 2.366 39 A HA 0.251 4.566 4.320 -0.009 0.000 0.249 39 A C 1.195 178.857 177.584 0.131 0.000 1.084 39 A CA -0.139 51.997 52.037 0.165 0.000 0.794 39 A CB 0.262 19.327 19.000 0.108 0.000 1.034 39 A HN 0.378 nan 8.150 nan 0.000 0.491 40 E N 0.201 120.462 120.200 0.102 0.000 2.122 40 E HA 0.000 4.345 4.350 -0.009 0.000 0.190 40 E C 0.348 176.990 176.600 0.071 0.000 0.977 40 E CA 1.092 57.547 56.400 0.092 0.000 0.820 40 E CB 0.162 29.917 29.700 0.092 0.000 0.770 40 E HN 0.610 nan 8.360 nan 0.000 0.462 41 K N 0.350 120.785 120.400 0.058 0.000 3.262 41 K HA 0.133 4.448 4.320 -0.009 0.000 0.166 41 K C -2.198 174.437 176.600 0.058 0.000 1.091 41 K CA -0.885 55.435 56.287 0.055 0.000 0.798 41 K CB 1.196 33.721 32.500 0.043 0.000 0.953 41 K HN -0.176 nan 8.250 nan 0.000 0.588 42 P HA -0.248 nan 4.420 nan 0.000 0.219 42 P C 0.894 178.299 177.300 0.174 0.000 1.146 42 P CA 1.226 64.378 63.100 0.086 0.000 0.808 42 P CB 0.285 32.039 31.700 0.090 0.000 0.779 43 E N 0.461 120.760 120.200 0.165 0.000 2.267 43 E HA -0.186 4.159 4.350 -0.009 0.000 0.197 43 E C 0.393 177.206 176.600 0.356 0.000 0.998 43 E CA 1.172 57.711 56.400 0.231 0.000 0.830 43 E CB -0.830 28.937 29.700 0.112 0.000 0.751 43 E HN 0.263 nan 8.360 nan 0.000 0.491 44 D N 0.508 121.020 120.400 0.188 0.000 2.462 44 D HA 0.251 4.886 4.640 -0.009 0.000 0.221 44 D C 0.640 176.893 176.300 -0.078 0.000 1.173 44 D CA -0.236 53.825 54.000 0.101 0.000 0.831 44 D CB 0.472 41.308 40.800 0.061 0.000 1.001 44 D HN 0.107 nan 8.370 nan 0.000 0.499 45 L N -0.106 121.032 121.223 -0.142 0.000 4.696 45 L HA -0.245 4.090 4.340 -0.009 0.000 0.425 45 L C 0.018 176.809 176.870 -0.131 0.000 1.115 45 L CA 0.526 55.186 54.840 -0.299 0.000 0.996 45 L CB -1.545 40.179 42.059 -0.558 0.000 2.077 45 L HN 0.171 nan 8.230 nan 0.000 0.792 46 I N -0.350 120.185 120.570 -0.058 0.000 2.371 46 I HA 0.109 4.274 4.170 -0.009 0.000 0.290 46 I C 1.441 177.538 176.117 -0.032 0.000 1.028 46 I CA -0.295 60.980 61.300 -0.041 0.000 1.345 46 I CB 1.433 39.426 38.000 -0.013 0.000 1.407 46 I HN -0.113 nan 8.210 nan 0.000 0.501 47 V N 6.420 126.290 119.914 -0.074 0.000 2.690 47 V HA 0.084 4.199 4.120 -0.009 0.000 0.240 47 V C -0.062 175.984 176.094 -0.080 0.000 1.078 47 V CA 0.625 62.865 62.300 -0.099 0.000 1.102 47 V CB -0.355 31.379 31.823 -0.148 0.000 0.800 47 V HN 0.839 nan 8.190 nan 0.000 0.479 48 Y N -2.533 117.612 120.300 -0.258 0.000 2.952 48 Y HA 0.605 5.150 4.550 -0.009 0.000 0.346 48 Y C 0.366 176.243 175.900 -0.039 0.000 1.388 48 Y CA -0.934 57.072 58.100 -0.158 0.000 1.097 48 Y CB 0.530 38.836 38.460 -0.257 0.000 1.732 48 Y HN 0.340 nan 8.280 nan 0.000 0.431 49 G N 1.230 110.068 108.800 0.065 0.000 2.393 49 G HA2 0.270 4.225 3.960 -0.009 0.000 0.299 49 G HA3 0.270 4.225 3.960 -0.009 0.000 0.299 49 G C 1.075 176.095 174.900 0.200 0.000 0.990 49 G CA 1.764 46.896 45.100 0.054 0.000 1.118 49 G HN 2.759 nan 8.290 nan 0.000 0.513 50 G N -0.144 108.768 108.800 0.187 0.000 2.728 50 G HA2 -0.164 3.790 3.960 -0.009 0.000 0.269 50 G HA3 -0.164 3.790 3.960 -0.009 0.000 0.269 50 G C 0.927 175.874 174.900 0.079 0.000 1.334 50 G CA 0.739 45.920 45.100 0.135 0.000 0.974 50 G HN 1.982 nan 8.290 nan 0.000 0.550 51 I N 0.630 121.284 120.570 0.139 0.000 3.805 51 I HA 0.598 4.763 4.170 -0.009 0.000 0.337 51 I C 0.978 177.186 176.117 0.153 0.000 1.539 51 I CA 0.131 61.505 61.300 0.124 0.000 1.176 51 I CB 0.142 38.223 38.000 0.134 0.000 1.248 51 I HN 0.717 nan 8.210 nan 0.000 0.437 52 G N 2.313 111.106 108.800 -0.012 0.000 2.346 52 G HA2 0.226 4.181 3.960 -0.009 0.000 0.275 52 G HA3 0.226 4.181 3.960 -0.009 0.000 0.275 52 G C -0.240 174.544 174.900 -0.193 0.000 1.190 52 G CA -0.214 44.710 45.100 -0.292 0.000 1.015 52 G HN 0.431 nan 8.290 nan 0.000 0.441 53 K N 1.551 121.893 120.400 -0.095 0.000 2.185 53 K HA 0.575 4.890 4.320 -0.009 0.000 0.240 53 K C 0.966 177.576 176.600 0.016 0.000 0.983 53 K CA -0.572 55.687 56.287 -0.046 0.000 0.873 53 K CB 2.137 34.620 32.500 -0.028 0.000 1.118 53 K HN 0.338 nan 8.250 nan 0.000 0.441 54 A N 0.576 123.434 122.820 0.063 0.000 2.081 54 A HA 0.334 4.649 4.320 -0.009 0.000 0.214 54 A C 0.442 178.239 177.584 0.355 0.000 1.158 54 A CA 1.029 53.230 52.037 0.274 0.000 0.724 54 A CB 0.097 19.233 19.000 0.227 0.000 0.826 54 A HN 0.624 nan 8.150 nan 0.000 0.463 55 A N -1.943 120.952 122.820 0.125 0.000 2.609 55 A HA 0.642 4.957 4.320 -0.009 0.000 0.291 55 A C 0.511 178.092 177.584 -0.005 0.000 1.096 55 A CA -0.123 51.985 52.037 0.117 0.000 0.684 55 A CB 0.489 19.567 19.000 0.131 0.000 1.282 55 A HN 0.115 nan 8.150 nan 0.000 0.412 56 R N -0.181 120.328 120.500 0.015 0.000 2.070 56 R HA -0.061 4.274 4.340 -0.009 0.000 0.233 56 R C 0.042 176.299 176.300 -0.071 0.000 1.137 56 R CA 2.772 58.867 56.100 -0.009 0.000 0.945 56 R CB -0.020 30.287 30.300 0.012 0.000 0.845 56 R HN 0.939 nan 8.270 nan 0.000 0.430 57 D N -4.853 115.486 120.400 -0.101 0.000 2.768 57 D HA 0.039 4.673 4.640 -0.009 0.000 0.327 57 D C -0.125 176.059 176.300 -0.194 0.000 1.302 57 D CA -0.745 53.152 54.000 -0.171 0.000 0.897 57 D CB -0.732 40.052 40.800 -0.026 0.000 1.420 57 D HN -0.041 nan 8.370 nan 0.000 0.494 58 W N 0.106 121.434 121.300 0.047 0.000 2.388 58 W HA -0.023 4.633 4.660 -0.008 0.000 0.294 58 W C 1.501 178.097 176.519 0.128 0.000 1.212 58 W CA 0.922 58.293 57.345 0.043 0.000 1.271 58 W CB -0.137 29.344 29.460 0.035 0.000 1.126 58 W HN 0.364 nan 8.180 nan 0.000 0.535 59 D N 0.114 120.710 120.400 0.325 0.000 2.104 59 D HA -0.191 4.444 4.640 -0.009 0.000 0.194 59 D C 2.216 178.634 176.300 0.195 0.000 0.994 59 D CA 1.956 56.112 54.000 0.259 0.000 0.830 59 D CB -0.858 40.039 40.800 0.162 0.000 0.959 59 D HN 0.120 nan 8.370 nan 0.000 0.452 60 A N 0.507 123.407 122.820 0.132 0.000 1.902 60 A HA -0.181 4.134 4.320 -0.009 0.000 0.217 60 A C 2.144 179.778 177.584 0.083 0.000 1.181 60 A CA 1.162 53.252 52.037 0.089 0.000 0.623 60 A CB -1.067 17.971 19.000 0.063 0.000 0.818 60 A HN 0.262 nan 8.150 nan 0.000 0.443 61 F N 0.539 120.452 119.950 -0.061 0.000 2.065 61 F HA -0.272 4.250 4.527 -0.009 0.000 0.298 61 F C 2.439 178.194 175.800 -0.075 0.000 1.112 61 F CA 2.411 60.334 58.000 -0.129 0.000 1.212 61 F CB -0.384 38.477 39.000 -0.231 0.000 0.975 61 F HN 0.383 nan 8.300 nan 0.000 0.476 62 H N -0.175 118.976 119.070 0.135 0.000 2.423 62 H HA 0.046 4.597 4.556 -0.009 0.000 0.297 62 H C 2.347 177.635 175.328 -0.067 0.000 1.075 62 H CA 1.105 57.154 56.048 0.003 0.000 1.342 62 H CB -0.833 29.029 29.762 0.167 0.000 1.395 62 H HN 0.429 nan 8.280 nan 0.000 0.530 63 A N 0.975 123.840 122.820 0.075 0.000 1.930 63 A HA -0.073 4.242 4.320 -0.009 0.000 0.217 63 A C 2.616 180.198 177.584 -0.003 0.000 1.175 63 A CA 0.859 52.919 52.037 0.038 0.000 0.627 63 A CB -0.617 18.404 19.000 0.035 0.000 0.815 63 A HN 0.269 nan 8.150 nan 0.000 0.443 64 I N -0.402 120.111 120.570 -0.095 0.000 2.226 64 I HA -0.250 3.915 4.170 -0.009 0.000 0.245 64 I C 2.486 178.471 176.117 -0.219 0.000 1.100 64 I CA 1.455 62.667 61.300 -0.147 0.000 1.374 64 I CB -0.500 37.367 38.000 -0.221 0.000 1.057 64 I HN 0.426 nan 8.210 nan 0.000 0.413 65 E N -0.053 119.952 120.200 -0.324 0.000 2.058 65 E HA -0.292 4.053 4.350 -0.009 0.000 0.194 65 E C 2.170 178.699 176.600 -0.119 0.000 0.997 65 E CA 1.352 57.585 56.400 -0.278 0.000 0.801 65 E CB -0.334 29.196 29.700 -0.283 0.000 0.746 65 E HN 0.563 nan 8.360 nan 0.000 0.450 66 H N 0.612 119.611 119.070 -0.119 0.000 2.321 66 H HA -0.050 4.501 4.556 -0.009 0.000 0.300 66 H C 2.139 177.422 175.328 -0.076 0.000 1.087 66 H CA 1.723 57.725 56.048 -0.077 0.000 1.319 66 H CB 0.203 29.936 29.762 -0.048 0.000 1.379 66 H HN 0.012 nan 8.280 nan 0.000 0.501 67 S N 0.693 116.411 115.700 0.031 0.000 2.370 67 S HA -0.127 4.338 4.470 -0.009 0.000 0.226 67 S C 2.303 176.849 174.600 -0.090 0.000 1.033 67 S CA 0.962 59.153 58.200 -0.015 0.000 1.011 67 S CB -0.275 62.933 63.200 0.014 0.000 0.852 67 S HN 0.190 nan 8.310 nan 0.000 0.457 68 L N 1.699 122.856 121.223 -0.110 0.000 2.083 68 L HA -0.030 4.304 4.340 -0.009 0.000 0.209 68 L C 2.071 178.864 176.870 -0.129 0.000 1.083 68 L CA 1.713 56.481 54.840 -0.119 0.000 0.752 68 L CB -0.784 41.174 42.059 -0.168 0.000 0.899 68 L HN 0.234 nan 8.230 nan 0.000 0.433 69 K N -1.325 118.974 120.400 -0.169 0.000 2.211 69 K HA -0.066 4.249 4.320 -0.009 0.000 0.203 69 K C 1.560 178.054 176.600 -0.176 0.000 1.050 69 K CA 1.571 57.752 56.287 -0.175 0.000 0.945 69 K CB -0.124 32.256 32.500 -0.200 0.000 0.732 69 K HN 0.498 nan 8.250 nan 0.000 0.451 70 T N -1.329 113.103 114.554 -0.204 0.000 3.069 70 T HA 0.154 4.499 4.350 -0.009 0.000 0.252 70 T C 0.387 175.029 174.700 -0.096 0.000 1.053 70 T CA -0.499 61.504 62.100 -0.163 0.000 0.964 70 T CB 0.023 68.766 68.868 -0.209 0.000 1.005 70 T HN -0.088 nan 8.240 nan 0.000 0.532 71 L N 2.812 123.988 121.223 -0.078 0.000 2.462 71 L HA 0.331 4.666 4.340 -0.009 0.000 0.272 71 L C 0.137 176.994 176.870 -0.022 0.000 1.166 71 L CA -0.027 54.790 54.840 -0.039 0.000 0.880 71 L CB 0.202 42.248 42.059 -0.022 0.000 1.142 71 L HN 0.084 nan 8.230 nan 0.000 0.473 72 K N 3.787 124.181 120.400 -0.011 0.000 2.107 72 K HA 0.178 4.493 4.320 -0.009 0.000 0.251 72 K C 0.912 177.526 176.600 0.023 0.000 1.012 72 K CA -0.584 55.704 56.287 0.001 0.000 0.920 72 K CB 0.470 32.969 32.500 -0.002 0.000 1.033 72 K HN 0.572 nan 8.250 nan 0.000 0.478 73 N N 1.768 120.487 118.700 0.031 0.000 2.443 73 N HA -0.145 4.590 4.740 -0.009 0.000 0.184 73 N C 0.216 175.763 175.510 0.061 0.000 1.037 73 N CA 1.153 54.235 53.050 0.053 0.000 0.896 73 N CB -0.079 38.441 38.487 0.054 0.000 0.959 73 N HN 0.578 nan 8.380 nan 0.000 0.442 74 D N -0.798 119.628 120.400 0.044 0.000 2.571 74 D HA 0.138 4.773 4.640 -0.009 0.000 0.239 74 D C -0.189 176.124 176.300 0.021 0.000 1.267 74 D CA -0.138 53.885 54.000 0.038 0.000 0.823 74 D CB -0.188 40.625 40.800 0.022 0.000 1.056 74 D HN 0.078 nan 8.370 nan 0.000 0.494 75 E N -0.358 119.864 120.200 0.036 0.000 2.235 75 E HA 0.577 4.922 4.350 -0.009 0.000 0.265 75 E C -0.815 175.825 176.600 0.066 0.000 0.940 75 E CA -0.803 55.619 56.400 0.038 0.000 0.819 75 E CB 1.932 31.644 29.700 0.019 0.000 1.206 75 E HN -0.126 nan 8.360 nan 0.000 0.409 76 T N 1.851 116.455 114.554 0.083 0.000 2.881 76 T HA 0.297 4.642 4.350 -0.009 0.000 0.291 76 T C -1.055 173.707 174.700 0.105 0.000 0.990 76 T CA -0.620 61.546 62.100 0.109 0.000 0.976 76 T CB 0.671 69.619 68.868 0.133 0.000 0.970 76 T HN 0.184 nan 8.240 nan 0.000 0.438 77 L N 4.892 126.171 121.223 0.093 0.000 2.292 77 L HA 0.592 4.927 4.340 -0.009 0.000 0.284 77 L C -1.008 175.926 176.870 0.106 0.000 1.065 77 L CA -0.351 54.536 54.840 0.078 0.000 0.806 77 L CB 0.400 42.500 42.059 0.068 0.000 1.175 77 L HN 0.571 nan 8.230 nan 0.000 0.431 78 L N 6.044 127.329 121.223 0.103 0.000 2.282 78 L HA 0.560 4.894 4.340 -0.009 0.000 0.288 78 L C -0.780 176.147 176.870 0.096 0.000 1.033 78 L CA -0.846 54.062 54.840 0.114 0.000 0.807 78 L CB 1.594 43.739 42.059 0.143 0.000 1.209 78 L HN 0.317 nan 8.230 nan 0.000 0.423 79 V N 3.279 123.248 119.914 0.091 0.000 2.409 79 V HA 0.309 4.424 4.120 -0.009 0.000 0.291 79 V C -0.210 175.925 176.094 0.069 0.000 1.020 79 V CA -0.555 61.796 62.300 0.085 0.000 0.848 79 V CB 1.774 33.648 31.823 0.086 0.000 0.990 79 V HN 0.711 nan 8.190 nan 0.000 0.430 80 Q N 2.833 122.671 119.800 0.064 0.000 2.368 80 Q HA 0.312 4.647 4.340 -0.009 0.000 0.263 80 Q C 0.015 176.040 176.000 0.041 0.000 1.009 80 Q CA -0.192 55.642 55.803 0.052 0.000 0.818 80 Q CB 1.563 30.330 28.738 0.047 0.000 1.239 80 Q HN 0.889 nan 8.270 nan 0.000 0.464 81 S N 3.259 118.976 115.700 0.028 0.000 3.447 81 S HA -0.231 4.234 4.470 -0.009 0.000 0.371 81 S C 0.830 175.449 174.600 0.032 0.000 0.951 81 S CA 1.107 59.318 58.200 0.017 0.000 1.269 81 S CB -1.617 61.602 63.200 0.031 0.000 0.919 81 S HN 1.165 nan 8.310 nan 0.000 0.516 82 G N 0.306 109.134 108.800 0.047 0.000 2.153 82 G HA2 -0.328 3.627 3.960 -0.009 0.000 0.252 82 G HA3 -0.328 3.627 3.960 -0.009 0.000 0.252 82 G C -0.206 174.757 174.900 0.104 0.000 0.994 82 G CA 0.850 46.012 45.100 0.103 0.000 0.698 82 G HN 0.807 nan 8.290 nan 0.000 0.521 83 K N 0.838 121.288 120.400 0.083 0.000 2.463 83 K HA 0.477 4.792 4.320 -0.009 0.000 0.255 83 K C -2.745 173.899 176.600 0.074 0.000 0.942 83 K CA -2.334 53.995 56.287 0.070 0.000 0.814 83 K CB 2.668 35.195 32.500 0.044 0.000 1.122 83 K HN -0.005 nan 8.250 nan 0.000 0.425 84 P HA 0.002 nan 4.420 nan 0.000 0.271 84 P C 0.445 177.771 177.300 0.044 0.000 1.233 84 P CA -0.172 62.968 63.100 0.067 0.000 0.764 84 P CB 0.958 32.691 31.700 0.055 0.000 0.825 85 V N 0.926 120.867 119.914 0.045 0.000 3.556 85 V HA 0.616 4.731 4.120 -0.009 0.000 0.287 85 V C 0.553 176.659 176.094 0.021 0.000 1.422 85 V CA 0.495 62.815 62.300 0.034 0.000 1.038 85 V CB 0.160 32.010 31.823 0.046 0.000 0.850 85 V HN 0.650 nan 8.190 nan 0.000 0.437 86 G N -0.124 108.680 108.800 0.007 0.000 2.523 86 G HA2 0.575 4.530 3.960 -0.009 0.000 0.291 86 G HA3 0.575 4.530 3.960 -0.009 0.000 0.291 86 G C -1.903 172.926 174.900 -0.119 0.000 1.450 86 G CA -0.333 44.723 45.100 -0.074 0.000 0.790 86 G HN 0.255 nan 8.290 nan 0.000 0.496 87 M N 0.625 120.005 119.600 -0.368 0.000 2.294 87 M HA 0.658 5.132 4.480 -0.009 0.000 0.280 87 M C -2.284 173.691 176.300 -0.542 0.000 1.085 87 M CA -0.535 54.608 55.300 -0.263 0.000 0.969 87 M CB 1.599 34.103 32.600 -0.159 0.000 1.770 87 M HN 0.501 nan 8.290 nan 0.000 0.485 88 F N 2.122 122.076 119.950 0.008 0.000 2.588 88 F HA 0.584 5.106 4.527 -0.008 0.000 0.314 88 F C 0.261 176.049 175.800 -0.021 0.000 1.069 88 F CA -0.783 57.214 58.000 -0.006 0.000 0.931 88 F CB 1.704 40.701 39.000 -0.006 0.000 1.260 88 F HN 0.541 nan 8.300 nan 0.000 0.465 89 R N 0.987 121.591 120.500 0.173 0.000 2.389 89 R HA 0.419 4.754 4.340 -0.009 0.000 0.295 89 R C -0.140 176.139 176.300 -0.034 0.000 1.075 89 R CA 0.471 56.596 56.100 0.042 0.000 1.005 89 R CB 0.760 31.067 30.300 0.012 0.000 0.987 89 R HN 0.989 nan 8.270 nan 0.000 0.452 90 T N 0.721 115.207 114.554 -0.114 0.000 1.812 90 T HA 0.359 4.704 4.350 -0.009 0.000 0.173 90 T C -0.468 173.842 174.700 -0.649 0.000 0.710 90 T CA -0.556 61.373 62.100 -0.285 0.000 1.065 90 T CB 0.364 69.221 68.868 -0.018 0.000 3.214 90 T HN 0.706 nan 8.240 nan 0.000 0.403 91 H N 0.630 119.734 119.070 0.057 0.000 3.008 91 H HA 0.471 5.022 4.556 -0.009 0.000 0.354 91 H C -2.184 173.177 175.328 0.055 0.000 1.252 91 H CA -1.710 54.367 56.048 0.049 0.000 1.117 91 H CB 1.701 31.487 29.762 0.040 0.000 1.857 91 H HN 0.223 nan 8.280 nan 0.000 0.547 92 P HA -0.162 nan 4.420 nan 0.000 0.219 92 P C 0.448 177.820 177.300 0.121 0.000 1.146 92 P CA 1.406 64.579 63.100 0.122 0.000 0.808 92 P CB 0.526 32.286 31.700 0.100 0.000 0.779 93 Q N -0.686 119.191 119.800 0.129 0.000 2.424 93 Q HA 0.230 4.564 4.340 -0.009 0.000 0.204 93 Q C 1.064 177.129 176.000 0.109 0.000 0.933 93 Q CA -0.152 55.709 55.803 0.097 0.000 0.929 93 Q CB 0.053 28.827 28.738 0.060 0.000 1.037 93 Q HN 0.189 nan 8.270 nan 0.000 0.511 94 A N 2.147 125.055 122.820 0.147 0.000 2.332 94 A HA 0.371 4.686 4.320 -0.009 0.000 0.258 94 A C -2.341 175.325 177.584 0.138 0.000 1.087 94 A CA -1.343 50.780 52.037 0.144 0.000 0.802 94 A CB -0.037 19.072 19.000 0.181 0.000 1.042 94 A HN -0.076 nan 8.150 nan 0.000 0.489 95 P HA 0.117 nan 4.420 nan 0.000 0.269 95 P C 0.511 177.921 177.300 0.183 0.000 1.209 95 P CA -0.262 62.941 63.100 0.173 0.000 0.776 95 P CB 0.466 32.271 31.700 0.175 0.000 0.876 96 R N 0.944 121.577 120.500 0.222 0.000 2.119 96 R HA 0.084 4.418 4.340 -0.009 0.000 0.222 96 R C 0.193 176.597 176.300 0.173 0.000 1.088 96 R CA 0.934 57.145 56.100 0.185 0.000 0.984 96 R CB -0.318 30.101 30.300 0.198 0.000 0.884 96 R HN 0.332 nan 8.270 nan 0.000 0.447 97 V N 1.507 121.557 119.914 0.226 0.000 2.841 97 V HA 0.338 4.453 4.120 -0.009 0.000 0.310 97 V C -0.995 175.219 176.094 0.201 0.000 1.090 97 V CA -0.992 61.419 62.300 0.185 0.000 0.930 97 V CB 2.548 34.454 31.823 0.137 0.000 1.014 97 V HN -0.127 nan 8.190 nan 0.000 0.425 98 L N 4.911 126.222 121.223 0.146 0.000 2.356 98 L HA 0.724 5.059 4.340 -0.009 0.000 0.277 98 L C -0.795 176.136 176.870 0.103 0.000 0.996 98 L CA -0.299 54.621 54.840 0.133 0.000 0.822 98 L CB 1.454 43.584 42.059 0.118 0.000 1.256 98 L HN 0.504 nan 8.230 nan 0.000 0.413 99 L N 3.190 124.476 121.223 0.105 0.000 2.365 99 L HA 0.913 5.248 4.340 -0.009 0.000 0.273 99 L C -0.136 176.837 176.870 0.172 0.000 1.000 99 L CA -0.477 54.416 54.840 0.089 0.000 0.819 99 L CB 2.042 44.102 42.059 0.001 0.000 1.284 99 L HN 0.654 nan 8.230 nan 0.000 0.418 100 A N 2.506 125.416 122.820 0.151 0.000 2.466 100 A HA 0.757 5.071 4.320 -0.009 0.000 0.291 100 A C -1.085 176.566 177.584 0.112 0.000 1.234 100 A CA -0.619 51.540 52.037 0.203 0.000 0.752 100 A CB 0.286 19.384 19.000 0.164 0.000 1.153 100 A HN 0.615 nan 8.150 nan 0.000 0.458 101 N N 0.915 119.641 118.700 0.042 0.000 2.342 101 N HA 0.463 5.198 4.740 -0.009 0.000 0.293 101 N C 0.168 175.631 175.510 -0.079 0.000 1.026 101 N CA 0.128 53.082 53.050 -0.160 0.000 0.857 101 N CB 1.668 39.785 38.487 -0.617 0.000 1.256 101 N HN 0.616 nan 8.380 nan 0.000 0.484 102 S N -1.202 114.534 115.700 0.060 0.000 3.382 102 S HA -0.141 4.323 4.470 -0.009 0.000 0.293 102 S C 0.225 175.000 174.600 0.292 0.000 1.262 102 S CA 0.349 58.679 58.200 0.216 0.000 0.969 102 S CB -1.518 61.816 63.200 0.224 0.000 1.136 102 S HN 0.448 nan 8.310 nan 0.000 0.635 103 V N 2.234 122.266 119.914 0.196 0.000 2.508 103 V HA 0.378 4.493 4.120 -0.009 0.000 0.281 103 V C 0.387 176.520 176.094 0.065 0.000 1.041 103 V CA 0.319 62.708 62.300 0.148 0.000 1.016 103 V CB 0.803 32.737 31.823 0.185 0.000 0.984 103 V HN 0.376 nan 8.190 nan 0.000 0.478 104 L N 4.789 125.970 121.223 -0.070 0.000 2.370 104 L HA 0.552 4.887 4.340 -0.009 0.000 0.266 104 L C -0.354 176.481 176.870 -0.058 0.000 1.002 104 L CA -1.113 53.716 54.840 -0.018 0.000 0.818 104 L CB 2.232 44.346 42.059 0.092 0.000 1.325 104 L HN 0.291 nan 8.230 nan 0.000 0.418 105 V N 3.261 123.182 119.914 0.011 0.000 2.557 105 V HA -0.042 4.073 4.120 -0.009 0.000 0.301 105 V C -1.276 174.912 176.094 0.156 0.000 1.026 105 V CA -0.542 61.799 62.300 0.068 0.000 1.137 105 V CB 0.596 32.447 31.823 0.048 0.000 0.917 105 V HN 0.719 nan 8.190 nan 0.000 0.484 106 P HA -0.245 nan 4.420 nan 0.000 0.222 106 P C 1.562 178.864 177.300 0.003 0.000 1.159 106 P CA 1.338 64.440 63.100 0.003 0.000 0.920 106 P CB 0.117 31.811 31.700 -0.011 0.000 0.793 107 K N -2.234 118.183 120.400 0.027 0.000 2.360 107 K HA -0.088 4.226 4.320 -0.009 0.000 0.201 107 K C 1.340 177.666 176.600 -0.457 0.000 1.046 107 K CA 0.962 57.073 56.287 -0.294 0.000 0.945 107 K CB -0.499 31.639 32.500 -0.603 0.000 0.750 107 K HN 0.348 nan 8.250 nan 0.000 0.464 108 W N -0.591 120.629 121.300 -0.132 0.000 3.005 108 W HA 0.376 5.029 4.660 -0.012 0.000 0.374 108 W C -0.084 176.407 176.519 -0.047 0.000 1.076 108 W CA -0.488 56.754 57.345 -0.172 0.000 1.794 108 W CB 0.222 29.471 29.460 -0.350 0.000 1.113 108 W HN -0.116 nan 8.180 nan 0.000 0.584 109 A N 2.503 125.388 122.820 0.109 0.000 3.037 109 A HA 0.278 4.593 4.320 -0.009 0.000 0.272 109 A C -0.464 177.144 177.584 0.040 0.000 1.723 109 A CA 0.515 52.602 52.037 0.083 0.000 1.413 109 A CB -1.170 17.801 19.000 -0.048 0.000 1.112 109 A HN 0.272 nan 8.150 nan 0.000 0.606 110 D N -2.299 118.136 120.400 0.060 0.000 2.579 110 D HA 0.346 4.981 4.640 -0.009 0.000 0.257 110 D C 0.335 176.640 176.300 0.008 0.000 1.176 110 D CA -0.793 53.205 54.000 -0.003 0.000 0.914 110 D CB 0.130 40.973 40.800 0.072 0.000 1.431 110 D HN 0.215 nan 8.370 nan 0.000 0.454 111 W N -0.136 121.190 121.300 0.042 0.000 2.402 111 W HA -0.011 4.644 4.660 -0.007 0.000 0.286 111 W C 2.172 178.699 176.519 0.012 0.000 1.221 111 W CA 0.853 58.143 57.345 -0.093 0.000 1.257 111 W CB 0.149 29.537 29.460 -0.120 0.000 1.120 111 W HN 0.655 nan 8.180 nan 0.000 0.551 112 E N -0.176 120.245 120.200 0.369 0.000 2.038 112 E HA -0.344 4.001 4.350 -0.009 0.000 0.195 112 E C 1.917 178.708 176.600 0.318 0.000 1.000 112 E CA 1.877 58.479 56.400 0.338 0.000 0.803 112 E CB -0.306 29.545 29.700 0.252 0.000 0.750 112 E HN 0.313 nan 8.360 nan 0.000 0.448 113 H N -0.948 118.251 119.070 0.215 0.000 2.428 113 H HA -0.087 4.464 4.556 -0.007 0.000 0.296 113 H C 1.646 177.083 175.328 0.183 0.000 1.062 113 H CA 1.602 57.773 56.048 0.205 0.000 1.350 113 H CB -0.288 29.623 29.762 0.247 0.000 1.403 113 H HN 0.284 nan 8.280 nan 0.000 0.533 114 F N 0.299 120.272 119.950 0.038 0.000 2.102 114 F HA -0.250 4.271 4.527 -0.009 0.000 0.298 114 F C 2.266 178.062 175.800 -0.006 0.000 1.105 114 F CA 1.832 59.810 58.000 -0.036 0.000 1.239 114 F CB -0.399 38.546 39.000 -0.091 0.000 0.991 114 F HN 0.270 nan 8.300 nan 0.000 0.474 115 H N 0.213 119.495 119.070 0.353 0.000 2.353 115 H HA -0.170 4.381 4.556 -0.008 0.000 0.300 115 H C 2.228 177.537 175.328 -0.032 0.000 1.090 115 H CA 1.694 57.847 56.048 0.175 0.000 1.327 115 H CB -0.816 29.078 29.762 0.220 0.000 1.383 115 H HN 0.534 nan 8.280 nan 0.000 0.508 116 E N 0.912 121.150 120.200 0.064 0.000 2.085 116 E HA -0.135 4.210 4.350 -0.009 0.000 0.194 116 E C 2.148 178.653 176.600 -0.158 0.000 0.994 116 E CA 0.741 57.115 56.400 -0.043 0.000 0.801 116 E CB -0.050 29.618 29.700 -0.053 0.000 0.743 116 E HN 0.363 nan 8.360 nan 0.000 0.453 117 L N 0.611 121.652 121.223 -0.303 0.000 2.109 117 L HA -0.105 4.230 4.340 -0.009 0.000 0.207 117 L C 2.752 179.460 176.870 -0.271 0.000 1.086 117 L CA 1.272 55.928 54.840 -0.307 0.000 0.760 117 L CB -0.432 41.401 42.059 -0.376 0.000 0.910 117 L HN 0.282 nan 8.230 nan 0.000 0.437 118 E N 1.190 121.181 120.200 -0.349 0.000 2.051 118 E HA -0.252 4.093 4.350 -0.009 0.000 0.192 118 E C 2.038 178.572 176.600 -0.109 0.000 0.991 118 E CA 1.436 57.672 56.400 -0.274 0.000 0.799 118 E CB 0.116 29.665 29.700 -0.250 0.000 0.748 118 E HN 0.466 nan 8.360 nan 0.000 0.449 119 K N 0.471 120.834 120.400 -0.063 0.000 2.147 119 K HA -0.134 4.181 4.320 -0.009 0.000 0.205 119 K C 1.844 178.421 176.600 -0.039 0.000 1.049 119 K CA 1.184 57.452 56.287 -0.032 0.000 0.936 119 K CB -0.148 32.343 32.500 -0.014 0.000 0.722 119 K HN 0.049 nan 8.250 nan 0.000 0.446 120 K N 0.374 120.739 120.400 -0.059 0.000 2.487 120 K HA 0.033 4.348 4.320 -0.009 0.000 0.192 120 K C 0.686 177.257 176.600 -0.049 0.000 1.027 120 K CA 0.455 56.712 56.287 -0.049 0.000 1.054 120 K CB 0.223 32.688 32.500 -0.058 0.000 0.824 120 K HN 0.442 nan 8.250 nan 0.000 0.510 121 G N 1.316 110.082 108.800 -0.057 0.000 2.160 121 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.251 121 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.251 121 G C 0.369 175.235 174.900 -0.057 0.000 1.008 121 G CA -0.176 44.896 45.100 -0.046 0.000 0.724 121 G HN 0.177 nan 8.290 nan 0.000 0.514 122 L N -1.044 120.124 121.223 -0.092 0.000 2.640 122 L HA 0.586 4.921 4.340 -0.009 0.000 0.230 122 L C 1.165 177.964 176.870 -0.119 0.000 1.123 122 L CA 0.572 55.357 54.840 -0.091 0.000 0.900 122 L CB -0.088 41.914 42.059 -0.096 0.000 1.146 122 L HN 0.358 nan 8.230 nan 0.000 0.484 123 M N -0.709 118.784 119.600 -0.179 0.000 2.631 123 M HA 0.498 4.973 4.480 -0.009 0.000 0.288 123 M C -1.148 175.087 176.300 -0.108 0.000 1.260 123 M CA -0.226 54.939 55.300 -0.225 0.000 0.842 123 M CB 2.913 35.143 32.600 -0.618 0.000 1.743 123 M HN -0.031 nan 8.290 nan 0.000 0.461 124 M N 1.271 120.916 119.600 0.074 0.000 2.414 124 M HA 0.330 4.805 4.480 -0.009 0.000 0.287 124 M C -2.287 174.304 176.300 0.484 0.000 1.181 124 M CA -0.629 54.822 55.300 0.252 0.000 0.933 124 M CB 2.510 35.177 32.600 0.112 0.000 1.732 124 M HN 0.643 nan 8.290 nan 0.000 0.486 125 Y N 2.656 123.162 120.300 0.343 0.000 2.385 125 Y HA 0.590 5.135 4.550 -0.009 0.000 0.341 125 Y C 0.605 176.495 175.900 -0.017 0.000 0.965 125 Y CA -0.165 58.019 58.100 0.139 0.000 1.180 125 Y CB 1.652 40.142 38.460 0.050 0.000 1.139 125 Y HN 0.790 nan 8.280 nan 0.000 0.502 126 G N 3.932 112.516 108.800 -0.361 0.000 2.985 126 G HA2 0.031 3.986 3.960 -0.009 0.000 0.209 126 G HA3 0.031 3.986 3.960 -0.009 0.000 0.209 126 G C 0.485 175.074 174.900 -0.518 0.000 1.165 126 G CA 0.189 45.009 45.100 -0.466 0.000 0.776 126 G HN 0.679 nan 8.290 nan 0.000 0.541 127 Q N -1.296 117.858 119.800 -1.077 0.000 1.795 127 Q HA -0.301 4.034 4.340 -0.009 0.000 0.404 127 Q C 1.703 177.574 176.000 -0.217 0.000 0.847 127 Q CA 1.960 57.236 55.803 -0.879 0.000 0.799 127 Q CB -1.169 27.003 28.738 -0.944 0.000 3.822 127 Q HN 0.417 nan 8.270 nan 0.000 0.742 128 M N -1.343 118.162 119.600 -0.159 0.000 2.962 128 M HA -0.001 4.474 4.480 -0.009 0.000 0.242 128 M C 1.927 177.912 176.300 -0.525 0.000 1.396 128 M CA 1.531 56.589 55.300 -0.404 0.000 1.287 128 M CB 0.035 32.435 32.600 -0.334 0.000 1.168 128 M HN 0.722 nan 8.290 nan 0.000 0.557 129 T N -1.580 112.963 114.554 -0.018 0.000 3.060 129 T HA 0.357 4.702 4.350 -0.009 0.000 0.249 129 T C 1.586 176.447 174.700 0.269 0.000 1.079 129 T CA 0.483 62.662 62.100 0.132 0.000 1.013 129 T CB -0.039 68.977 68.868 0.246 0.000 0.975 129 T HN 0.232 nan 8.240 nan 0.000 0.518 130 A N 2.051 125.016 122.820 0.241 0.000 1.855 130 A HA 0.344 4.659 4.320 -0.009 0.000 0.215 130 A C 2.520 180.201 177.584 0.161 0.000 1.191 130 A CA 1.314 53.431 52.037 0.132 0.000 0.613 130 A CB -1.372 17.527 19.000 -0.168 0.000 0.829 130 A HN 0.575 nan 8.150 nan 0.000 0.442 131 G N -0.851 107.996 108.800 0.079 0.000 2.920 131 G HA2 0.167 4.122 3.960 -0.009 0.000 0.208 131 G HA3 0.167 4.122 3.960 -0.009 0.000 0.208 131 G C 1.143 175.909 174.900 -0.224 0.000 1.159 131 G CA 1.182 46.291 45.100 0.015 0.000 0.784 131 G HN 0.875 nan 8.290 nan 0.000 0.535 132 S N -1.327 114.312 115.700 -0.101 0.000 2.663 132 S HA 0.162 4.627 4.470 -0.009 0.000 0.243 132 S C 0.253 174.898 174.600 0.076 0.000 1.009 132 S CA -0.592 57.484 58.200 -0.206 0.000 0.988 132 S CB -0.420 62.835 63.200 0.091 0.000 0.896 132 S HN 0.419 nan 8.310 nan 0.000 0.502 133 W N 0.749 122.252 121.300 0.337 0.000 6.880 133 W HA -0.174 4.481 4.660 -0.008 0.000 0.423 133 W C -0.031 176.761 176.519 0.456 0.000 1.695 133 W CA -0.216 57.334 57.345 0.343 0.000 1.126 133 W CB -2.457 27.129 29.460 0.211 0.000 2.925 133 W HN 0.512 nan 8.180 nan 0.000 1.530 134 I N -0.188 120.686 120.570 0.508 0.000 3.554 134 I HA 0.208 4.373 4.170 -0.009 0.000 0.321 134 I C -0.437 175.846 176.117 0.278 0.000 1.484 134 I CA -1.333 60.184 61.300 0.362 0.000 0.975 134 I CB -0.291 37.858 38.000 0.248 0.000 1.528 134 I HN 0.012 nan 8.210 nan 0.000 0.609 135 Y N 3.014 123.423 120.300 0.181 0.000 2.304 135 Y HA 0.514 5.058 4.550 -0.009 0.000 0.328 135 Y C 0.960 176.910 175.900 0.082 0.000 1.123 135 Y CA -0.278 57.877 58.100 0.091 0.000 1.218 135 Y CB 0.940 39.472 38.460 0.121 0.000 1.207 135 Y HN 0.263 nan 8.280 nan 0.000 0.495 136 I N 3.799 124.117 120.570 -0.420 0.000 3.424 136 I HA 0.675 4.840 4.170 -0.009 0.000 0.339 136 I C 0.563 176.433 176.117 -0.412 0.000 1.549 136 I CA -0.025 61.113 61.300 -0.270 0.000 1.049 136 I CB -0.203 37.714 38.000 -0.139 0.000 1.439 136 I HN 0.850 nan 8.210 nan 0.000 0.500 137 G N 1.719 110.036 108.800 -0.806 0.000 2.593 137 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.237 137 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.237 137 G C 0.355 174.919 174.900 -0.560 0.000 1.312 137 G CA 0.057 44.876 45.100 -0.469 0.000 0.896 137 G HN 0.306 nan 8.290 nan 0.000 0.574 138 S N -0.068 115.425 115.700 -0.346 0.000 2.507 138 S HA -0.071 4.394 4.470 -0.009 0.000 0.235 138 S C 2.071 176.503 174.600 -0.281 0.000 0.988 138 S CA 1.708 59.629 58.200 -0.465 0.000 0.944 138 S CB -0.047 62.491 63.200 -1.104 0.000 0.762 138 S HN 0.649 nan 8.310 nan 0.000 0.526 139 Q N 1.123 120.866 119.800 -0.095 0.000 2.167 139 Q HA -0.090 4.245 4.340 -0.009 0.000 0.202 139 Q C 2.239 178.256 176.000 0.029 0.000 0.970 139 Q CA 1.323 57.176 55.803 0.083 0.000 0.855 139 Q CB -0.513 28.291 28.738 0.109 0.000 0.911 139 Q HN 0.583 nan 8.270 nan 0.000 0.438 140 G N 1.457 110.185 108.800 -0.121 0.000 2.505 140 G HA2 -0.293 3.662 3.960 -0.009 0.000 0.220 140 G HA3 -0.293 3.662 3.960 -0.009 0.000 0.220 140 G C 1.329 176.258 174.900 0.048 0.000 1.145 140 G CA 1.003 46.052 45.100 -0.086 0.000 0.761 140 G HN 0.503 nan 8.290 nan 0.000 0.571 141 I N -0.362 120.239 120.570 0.053 0.000 3.783 141 I HA 0.181 4.346 4.170 -0.009 0.000 0.310 141 I C 2.262 178.500 176.117 0.202 0.000 1.274 141 I CA -0.099 61.295 61.300 0.156 0.000 1.294 141 I CB 0.100 38.177 38.000 0.129 0.000 1.051 141 I HN 0.133 nan 8.210 nan 0.000 0.435 142 L N 1.369 122.706 121.223 0.190 0.000 1.991 142 L HA -0.343 3.991 4.340 -0.009 0.000 0.221 142 L C 2.460 179.450 176.870 0.201 0.000 1.079 142 L CA 2.530 57.523 54.840 0.256 0.000 0.778 142 L CB -0.862 41.413 42.059 0.361 0.000 0.893 142 L HN 0.383 nan 8.230 nan 0.000 0.437 143 Q N -1.366 118.478 119.800 0.073 0.000 2.124 143 Q HA -0.140 4.195 4.340 -0.009 0.000 0.202 143 Q C 2.048 177.801 176.000 -0.412 0.000 0.977 143 Q CA 1.587 57.108 55.803 -0.469 0.000 0.850 143 Q CB -0.484 27.695 28.738 -0.931 0.000 0.901 143 Q HN 0.655 nan 8.270 nan 0.000 0.429 144 G N -0.347 108.410 108.800 -0.072 0.000 2.446 144 G HA2 -0.274 3.680 3.960 -0.009 0.000 0.217 144 G HA3 -0.274 3.680 3.960 -0.009 0.000 0.217 144 G C 1.355 176.250 174.900 -0.008 0.000 1.168 144 G CA 1.354 46.457 45.100 0.005 0.000 0.771 144 G HN 0.407 nan 8.290 nan 0.000 0.551 145 T N -0.361 114.260 114.554 0.112 0.000 2.857 145 T HA -0.110 4.235 4.350 -0.009 0.000 0.266 145 T C 1.956 176.694 174.700 0.064 0.000 1.048 145 T CA 1.193 63.325 62.100 0.055 0.000 1.139 145 T CB -0.279 68.666 68.868 0.129 0.000 0.874 145 T HN 0.394 nan 8.240 nan 0.000 0.455 146 Y N 2.331 122.605 120.300 -0.044 0.000 2.163 146 Y HA -0.112 4.433 4.550 -0.009 0.000 0.288 146 Y C 2.368 178.183 175.900 -0.142 0.000 1.136 146 Y CA 1.289 59.365 58.100 -0.041 0.000 1.147 146 Y CB -0.177 38.258 38.460 -0.043 0.000 0.987 146 Y HN 0.033 nan 8.280 nan 0.000 0.509 147 E N -0.296 119.641 120.200 -0.438 0.000 2.110 147 E HA -0.151 4.194 4.350 -0.009 0.000 0.193 147 E C 2.176 178.502 176.600 -0.457 0.000 0.988 147 E CA 1.710 57.783 56.400 -0.545 0.000 0.804 147 E CB -0.653 28.660 29.700 -0.645 0.000 0.745 147 E HN 0.514 nan 8.360 nan 0.000 0.458 148 T N 1.051 115.376 114.554 -0.382 0.000 2.652 148 T HA -0.139 4.206 4.350 -0.009 0.000 0.267 148 T C 1.703 175.987 174.700 -0.693 0.000 1.039 148 T CA 1.209 63.046 62.100 -0.439 0.000 1.153 148 T CB -0.401 68.206 68.868 -0.434 0.000 0.863 148 T HN 0.066 nan 8.240 nan 0.000 0.428 149 F N 1.445 121.081 119.950 -0.523 0.000 2.186 149 F HA 0.102 4.624 4.527 -0.008 0.000 0.299 149 F C 2.587 178.112 175.800 -0.459 0.000 1.090 149 F CA 0.599 58.313 58.000 -0.477 0.000 1.307 149 F CB -0.777 38.019 39.000 -0.340 0.000 1.019 149 F HN 0.123 nan 8.300 nan 0.000 0.489 150 A N -0.303 122.278 122.820 -0.398 0.000 1.902 150 A HA -0.231 4.084 4.320 -0.009 0.000 0.217 150 A C 2.090 179.514 177.584 -0.267 0.000 1.181 150 A CA 1.929 53.729 52.037 -0.396 0.000 0.623 150 A CB -0.723 17.899 19.000 -0.630 0.000 0.818 150 A HN 0.318 nan 8.150 nan 0.000 0.443 151 E N 0.136 120.150 120.200 -0.309 0.000 2.072 151 E HA -0.137 4.208 4.350 -0.009 0.000 0.191 151 E C 1.840 178.308 176.600 -0.220 0.000 0.985 151 E CA 1.250 57.522 56.400 -0.213 0.000 0.801 151 E CB -0.498 29.108 29.700 -0.156 0.000 0.750 151 E HN 0.537 nan 8.360 nan 0.000 0.452 152 L N -0.393 120.531 121.223 -0.498 0.000 2.083 152 L HA -0.140 4.195 4.340 -0.009 0.000 0.209 152 L C 2.233 179.103 176.870 0.001 0.000 1.083 152 L CA 1.502 56.069 54.840 -0.455 0.000 0.752 152 L CB -0.433 41.128 42.059 -0.830 0.000 0.899 152 L HN 0.281 nan 8.230 nan 0.000 0.433 153 A N 0.157 122.981 122.820 0.006 0.000 1.858 153 A HA -0.241 4.073 4.320 -0.009 0.000 0.216 153 A C 2.283 179.918 177.584 0.085 0.000 1.190 153 A CA 1.761 53.890 52.037 0.154 0.000 0.617 153 A CB -0.591 18.445 19.000 0.060 0.000 0.827 153 A HN 0.455 nan 8.150 nan 0.000 0.443 154 R N -0.716 119.779 120.500 -0.008 0.000 2.159 154 R HA -0.146 4.188 4.340 -0.009 0.000 0.237 154 R C 2.356 178.609 176.300 -0.079 0.000 1.131 154 R CA 1.577 57.658 56.100 -0.032 0.000 0.982 154 R CB -0.246 30.025 30.300 -0.048 0.000 0.868 154 R HN 0.688 nan 8.270 nan 0.000 0.453 155 Q N -1.235 118.499 119.800 -0.111 0.000 2.212 155 Q HA -0.089 4.246 4.340 -0.009 0.000 0.199 155 Q C 0.693 176.334 176.000 -0.599 0.000 0.950 155 Q CA 1.176 56.791 55.803 -0.313 0.000 0.863 155 Q CB 0.367 28.932 28.738 -0.288 0.000 0.944 155 Q HN 0.568 nan 8.270 nan 0.000 0.465 156 H N -3.263 115.675 119.070 -0.221 0.000 3.440 156 H HA 0.178 4.728 4.556 -0.009 0.000 0.259 156 H C -0.266 174.592 175.328 -0.784 0.000 1.120 156 H CA -0.015 55.716 56.048 -0.529 0.000 1.191 156 H CB 0.756 30.054 29.762 -0.773 0.000 1.537 156 H HN 0.024 nan 8.280 nan 0.000 0.547 157 F N -0.064 119.936 119.950 0.084 0.000 2.835 157 F HA 0.396 4.918 4.527 -0.009 0.000 0.342 157 F C 1.218 177.025 175.800 0.013 0.000 1.202 157 F CA -0.030 57.996 58.000 0.044 0.000 1.240 157 F CB 1.260 40.281 39.000 0.035 0.000 1.005 157 F HN 0.216 nan 8.300 nan 0.000 0.507 158 G N 0.290 109.147 108.800 0.093 0.000 2.153 158 G HA2 -0.071 3.884 3.960 -0.009 0.000 0.252 158 G HA3 -0.071 3.884 3.960 -0.009 0.000 0.252 158 G C 1.085 176.016 174.900 0.052 0.000 0.994 158 G CA 0.208 45.343 45.100 0.058 0.000 0.698 158 G HN 1.360 nan 8.290 nan 0.000 0.521 159 G N -2.309 106.527 108.800 0.060 0.000 2.140 159 G HA2 0.268 4.223 3.960 -0.009 0.000 0.211 159 G HA3 0.268 4.223 3.960 -0.009 0.000 0.211 159 G C 0.184 175.107 174.900 0.038 0.000 1.013 159 G CA 1.337 46.457 45.100 0.034 0.000 0.705 159 G HN 2.371 nan 8.290 nan 0.000 0.508 160 S N -1.682 114.057 115.700 0.065 0.000 2.565 160 S HA 0.572 5.037 4.470 -0.009 0.000 0.274 160 S C 0.196 174.805 174.600 0.015 0.000 1.144 160 S CA -0.461 57.758 58.200 0.031 0.000 0.849 160 S CB 0.793 64.005 63.200 0.021 0.000 1.103 160 S HN 0.639 nan 8.310 nan 0.000 0.455 161 L N 2.119 123.306 121.223 -0.059 0.000 2.700 161 L HA 0.378 4.713 4.340 -0.009 0.000 0.234 161 L C 0.873 177.638 176.870 -0.176 0.000 1.156 161 L CA -0.148 54.588 54.840 -0.173 0.000 0.946 161 L CB -0.029 41.918 42.059 -0.186 0.000 1.216 161 L HN 0.580 nan 8.230 nan 0.000 0.493 162 K N 1.157 121.497 120.400 -0.100 0.000 2.484 162 K HA 0.147 4.461 4.320 -0.009 0.000 0.280 162 K C 1.108 177.648 176.600 -0.099 0.000 1.013 162 K CA 0.967 57.205 56.287 -0.082 0.000 1.029 162 K CB 0.334 32.809 32.500 -0.042 0.000 0.902 162 K HN 0.230 nan 8.250 nan 0.000 0.481 163 G N 2.682 111.422 108.800 -0.099 0.000 2.176 163 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.252 163 G HA3 -0.260 3.695 3.960 -0.009 0.000 0.252 163 G C -0.086 174.727 174.900 -0.145 0.000 1.024 163 G CA 0.621 45.666 45.100 -0.092 0.000 0.755 163 G HN 0.880 nan 8.290 nan 0.000 0.507 164 T N -2.826 111.596 114.554 -0.220 0.000 2.907 164 T HA 0.736 5.081 4.350 -0.009 0.000 0.292 164 T C -0.693 173.861 174.700 -0.243 0.000 1.043 164 T CA -0.934 60.974 62.100 -0.320 0.000 1.003 164 T CB 2.675 71.154 68.868 -0.649 0.000 1.084 164 T HN 1.164 nan 8.240 nan 0.000 0.483 165 L N 1.914 123.009 121.223 -0.214 0.000 2.325 165 L HA 0.686 5.020 4.340 -0.009 0.000 0.281 165 L C -0.380 176.379 176.870 -0.185 0.000 1.004 165 L CA 0.011 54.749 54.840 -0.170 0.000 0.823 165 L CB 1.812 43.797 42.059 -0.124 0.000 1.236 165 L HN 0.956 nan 8.230 nan 0.000 0.415 166 T N 5.717 120.164 114.554 -0.179 0.000 2.824 166 T HA 0.598 4.943 4.350 -0.009 0.000 0.280 166 T C -1.017 173.577 174.700 -0.177 0.000 0.995 166 T CA -0.256 61.749 62.100 -0.158 0.000 1.009 166 T CB 1.289 70.066 68.868 -0.153 0.000 0.955 166 T HN 0.500 nan 8.240 nan 0.000 0.452 167 L N 3.093 124.177 121.223 -0.232 0.000 2.341 167 L HA 0.839 5.174 4.340 -0.009 0.000 0.278 167 L C -0.168 176.573 176.870 -0.216 0.000 1.005 167 L CA 0.245 54.914 54.840 -0.286 0.000 0.818 167 L CB 1.842 43.572 42.059 -0.547 0.000 1.259 167 L HN 0.744 nan 8.230 nan 0.000 0.418 168 T N 2.970 117.481 114.554 -0.071 0.000 2.665 168 T HA 0.934 5.278 4.350 -0.009 0.000 0.303 168 T C -1.761 173.052 174.700 0.188 0.000 1.334 168 T CA 0.117 62.251 62.100 0.057 0.000 1.011 168 T CB 1.296 70.194 68.868 0.051 0.000 1.573 168 T HN 1.067 nan 8.240 nan 0.000 0.492 169 A N -0.504 122.443 122.820 0.211 0.000 2.593 169 A HA 0.887 5.202 4.320 -0.009 0.000 0.290 169 A C 0.152 177.830 177.584 0.157 0.000 1.126 169 A CA -0.069 52.072 52.037 0.174 0.000 0.695 169 A CB 0.977 20.076 19.000 0.167 0.000 1.290 169 A HN 2.294 nan 8.150 nan 0.000 0.414 170 G N -0.652 108.218 108.800 0.116 0.000 3.292 170 G HA2 0.101 4.056 3.960 -0.009 0.000 0.636 170 G HA3 0.101 4.056 3.960 -0.009 0.000 0.636 170 G C -0.676 174.289 174.900 0.107 0.000 1.069 170 G CA -0.100 45.070 45.100 0.118 0.000 0.890 170 G HN 1.271 nan 8.290 nan 0.000 0.427 171 L N 2.863 124.136 121.223 0.084 0.000 2.892 171 L HA 0.486 4.821 4.340 -0.009 0.000 0.251 171 L C 1.421 178.337 176.870 0.077 0.000 1.339 171 L CA 0.005 54.891 54.840 0.078 0.000 0.900 171 L CB 0.275 42.373 42.059 0.066 0.000 1.246 171 L HN 0.713 nan 8.230 nan 0.000 0.524 172 G N -0.643 108.214 108.800 0.096 0.000 2.695 172 G HA2 0.385 4.340 3.960 -0.009 0.000 0.213 172 G HA3 0.385 4.340 3.960 -0.009 0.000 0.213 172 G C 1.007 175.969 174.900 0.104 0.000 1.406 172 G CA 0.290 45.454 45.100 0.106 0.000 1.049 172 G HN 0.311 nan 8.290 nan 0.000 0.573 173 G N -0.404 108.486 108.800 0.150 0.000 2.514 173 G HA2 -0.204 3.751 3.960 -0.009 0.000 0.217 173 G HA3 -0.204 3.751 3.960 -0.009 0.000 0.217 173 G C 1.638 176.599 174.900 0.101 0.000 1.198 173 G CA 1.434 46.638 45.100 0.172 0.000 0.780 173 G HN 0.332 nan 8.290 nan 0.000 0.565 174 M N 0.483 120.163 119.600 0.132 0.000 2.447 174 M HA 0.146 4.621 4.480 -0.009 0.000 0.266 174 M C 2.867 179.232 176.300 0.109 0.000 1.120 174 M CA 1.100 56.450 55.300 0.083 0.000 1.166 174 M CB -1.021 31.641 32.600 0.103 0.000 1.349 174 M HN 0.285 nan 8.290 nan 0.000 0.463 175 G N 0.454 109.339 108.800 0.143 0.000 2.448 175 G HA2 -0.104 3.851 3.960 -0.009 0.000 0.219 175 G HA3 -0.104 3.851 3.960 -0.009 0.000 0.219 175 G C 1.500 176.461 174.900 0.102 0.000 1.127 175 G CA 0.911 46.103 45.100 0.154 0.000 0.766 175 G HN 0.557 nan 8.290 nan 0.000 0.552 176 G N 0.626 109.456 108.800 0.051 0.000 2.535 176 G HA2 0.129 4.083 3.960 -0.009 0.000 0.218 176 G HA3 0.129 4.083 3.960 -0.009 0.000 0.218 176 G C 1.672 176.573 174.900 0.002 0.000 1.122 176 G CA 1.141 46.249 45.100 0.014 0.000 0.769 176 G HN 0.597 nan 8.290 nan 0.000 0.549 177 A N -0.087 122.729 122.820 -0.007 0.000 2.169 177 A HA 0.171 4.486 4.320 -0.009 0.000 0.212 177 A C 2.182 179.854 177.584 0.148 0.000 1.153 177 A CA 0.950 53.039 52.037 0.087 0.000 0.756 177 A CB -0.114 18.924 19.000 0.063 0.000 0.813 177 A HN 0.437 nan 8.150 nan 0.000 0.471 178 Q N 0.327 120.192 119.800 0.108 0.000 2.030 178 Q HA -0.143 4.192 4.340 -0.009 0.000 0.204 178 Q C -0.508 175.479 176.000 -0.023 0.000 0.986 178 Q CA 1.810 57.654 55.803 0.067 0.000 0.843 178 Q CB -1.120 27.665 28.738 0.079 0.000 0.904 178 Q HN 0.531 nan 8.270 nan 0.000 0.420 179 P HA -0.227 nan 4.420 nan 0.000 0.214 179 P C 1.482 178.759 177.300 -0.038 0.000 1.163 179 P CA 1.293 64.374 63.100 -0.031 0.000 0.889 179 P CB -0.130 31.582 31.700 0.020 0.000 0.790 180 L N -0.475 120.778 121.223 0.050 0.000 2.131 180 L HA -0.128 4.207 4.340 -0.009 0.000 0.210 180 L C 2.454 179.342 176.870 0.031 0.000 1.092 180 L CA 1.565 56.423 54.840 0.029 0.000 0.759 180 L CB -0.572 41.531 42.059 0.073 0.000 0.903 180 L HN -0.007 nan 8.230 nan 0.000 0.435 181 S N -0.786 114.946 115.700 0.055 0.000 2.368 181 S HA -0.166 4.299 4.470 -0.009 0.000 0.225 181 S C 1.867 176.400 174.600 -0.111 0.000 1.030 181 S CA 1.358 59.608 58.200 0.085 0.000 0.999 181 S CB -0.187 63.082 63.200 0.115 0.000 0.844 181 S HN 0.285 nan 8.310 nan 0.000 0.459 182 V N 1.384 121.067 119.914 -0.385 0.000 2.379 182 V HA -0.139 3.976 4.120 -0.009 0.000 0.245 182 V C 2.529 178.478 176.094 -0.242 0.000 1.044 182 V CA 1.894 63.873 62.300 -0.536 0.000 1.036 182 V CB -1.194 30.254 31.823 -0.625 0.000 0.664 182 V HN 0.473 nan 8.190 nan 0.000 0.453 183 T N -0.008 114.452 114.554 -0.156 0.000 2.746 183 T HA -0.201 4.144 4.350 -0.009 0.000 0.267 183 T C 1.841 176.514 174.700 -0.045 0.000 1.039 183 T CA 1.758 63.799 62.100 -0.099 0.000 1.142 183 T CB -0.297 68.518 68.868 -0.089 0.000 0.866 183 T HN 0.324 nan 8.240 nan 0.000 0.444 184 M N 1.056 120.666 119.600 0.017 0.000 2.358 184 M HA -0.010 4.465 4.480 -0.009 0.000 0.264 184 M C 1.390 177.804 176.300 0.190 0.000 1.064 184 M CA 0.924 56.280 55.300 0.092 0.000 1.093 184 M CB -0.156 32.528 32.600 0.139 0.000 1.401 184 M HN 0.089 nan 8.290 nan 0.000 0.440 185 N N 0.616 119.388 118.700 0.119 0.000 2.314 185 N HA 0.023 4.758 4.740 -0.009 0.000 0.200 185 N C -0.410 175.089 175.510 -0.019 0.000 1.135 185 N CA 0.347 53.430 53.050 0.054 0.000 0.835 185 N CB 0.316 38.764 38.487 -0.065 0.000 0.989 185 N HN 0.356 nan 8.380 nan 0.000 0.478 186 E N -1.407 118.776 120.200 -0.029 0.000 3.413 186 E HA -0.138 4.207 4.350 -0.009 0.000 0.300 186 E C 0.481 177.024 176.600 -0.094 0.000 0.891 186 E CA 0.515 56.882 56.400 -0.054 0.000 1.050 186 E CB -1.412 28.267 29.700 -0.036 0.000 1.534 186 E HN 0.410 nan 8.360 nan 0.000 0.436 187 G N -0.103 108.617 108.800 -0.133 0.000 2.511 187 G HA2 0.584 4.539 3.960 -0.009 0.000 0.316 187 G HA3 0.584 4.539 3.960 -0.009 0.000 0.316 187 G C -0.184 174.620 174.900 -0.160 0.000 1.210 187 G CA -0.461 44.536 45.100 -0.172 0.000 0.969 187 G HN 0.032 nan 8.290 nan 0.000 0.492 188 V N -0.352 119.467 119.914 -0.158 0.000 2.532 188 V HA 0.652 4.767 4.120 -0.009 0.000 0.295 188 V C -0.254 175.753 176.094 -0.145 0.000 1.041 188 V CA -0.610 61.615 62.300 -0.124 0.000 0.926 188 V CB 1.343 33.111 31.823 -0.092 0.000 0.992 188 V HN 0.573 nan 8.190 nan 0.000 0.457 189 V N 6.145 125.988 119.914 -0.118 0.000 2.932 189 V HA 0.607 4.722 4.120 -0.009 0.000 0.307 189 V C -1.249 174.807 176.094 -0.064 0.000 1.147 189 V CA -0.383 61.842 62.300 -0.124 0.000 0.951 189 V CB 2.239 33.956 31.823 -0.177 0.000 1.031 189 V HN 0.760 nan 8.190 nan 0.000 0.426 190 I N 5.603 126.138 120.570 -0.059 0.000 2.389 190 I HA 0.765 4.930 4.170 -0.009 0.000 0.288 190 I C 0.072 176.184 176.117 -0.008 0.000 0.999 190 I CA -0.590 60.701 61.300 -0.015 0.000 1.129 190 I CB 1.868 39.856 38.000 -0.020 0.000 1.288 190 I HN 0.775 nan 8.210 nan 0.000 0.444 191 A N 6.737 129.571 122.820 0.024 0.000 2.319 191 A HA 0.699 5.014 4.320 -0.009 0.000 0.310 191 A C -0.665 176.955 177.584 0.060 0.000 1.152 191 A CA -0.500 51.565 52.037 0.047 0.000 0.783 191 A CB 1.152 20.178 19.000 0.043 0.000 1.184 191 A HN 0.426 nan 8.150 nan 0.000 0.474 192 V N 2.324 122.286 119.914 0.080 0.000 2.461 192 V HA 0.484 4.599 4.120 -0.009 0.000 0.275 192 V C 0.060 176.166 176.094 0.020 0.000 1.047 192 V CA -0.078 62.246 62.300 0.041 0.000 0.955 192 V CB 1.061 32.889 31.823 0.009 0.000 0.988 192 V HN 0.962 nan 8.190 nan 0.000 0.471 193 E N 3.517 123.723 120.200 0.009 0.000 2.263 193 E HA 0.351 4.696 4.350 -0.009 0.000 0.268 193 E C -0.243 176.348 176.600 -0.014 0.000 0.884 193 E CA -0.549 55.854 56.400 0.004 0.000 0.766 193 E CB 2.056 31.773 29.700 0.028 0.000 1.196 193 E HN 0.220 nan 8.360 nan 0.000 0.416 194 V N 3.166 123.058 119.914 -0.037 0.000 3.306 194 V HA 0.117 4.231 4.120 -0.009 0.000 0.264 194 V C -0.236 175.849 176.094 -0.015 0.000 1.149 194 V CA 1.340 63.616 62.300 -0.040 0.000 1.143 194 V CB 0.035 31.811 31.823 -0.078 0.000 0.767 194 V HN 0.655 nan 8.190 nan 0.000 0.476 195 D N 0.056 120.455 120.400 -0.002 0.000 2.453 195 D HA 0.140 4.775 4.640 -0.009 0.000 0.238 195 D C 1.014 177.326 176.300 0.020 0.000 1.088 195 D CA -0.239 53.768 54.000 0.011 0.000 0.854 195 D CB 1.665 42.474 40.800 0.015 0.000 1.076 195 D HN 0.375 nan 8.370 nan 0.000 0.533 196 E N 2.872 123.084 120.200 0.021 0.000 2.219 196 E HA -0.215 4.129 4.350 -0.009 0.000 0.198 196 E C 1.094 177.713 176.600 0.033 0.000 0.998 196 E CA 1.129 57.545 56.400 0.027 0.000 0.818 196 E CB 0.381 30.096 29.700 0.025 0.000 0.741 196 E HN 0.394 nan 8.360 nan 0.000 0.477 197 K N -0.137 120.282 120.400 0.032 0.000 2.097 197 K HA -0.098 4.216 4.320 -0.009 0.000 0.206 197 K C 2.226 178.852 176.600 0.043 0.000 1.049 197 K CA 0.855 57.164 56.287 0.036 0.000 0.933 197 K CB 0.043 32.563 32.500 0.034 0.000 0.717 197 K HN 0.020 nan 8.250 nan 0.000 0.442 198 R N 0.800 121.325 120.500 0.042 0.000 2.075 198 R HA -0.040 4.295 4.340 -0.009 0.000 0.232 198 R C 2.269 178.602 176.300 0.054 0.000 1.126 198 R CA 1.142 57.272 56.100 0.050 0.000 0.963 198 R CB -0.619 29.709 30.300 0.047 0.000 0.858 198 R HN 0.275 nan 8.270 nan 0.000 0.435 199 I N 1.293 121.892 120.570 0.049 0.000 2.163 199 I HA -0.281 3.884 4.170 -0.009 0.000 0.243 199 I C 1.722 177.873 176.117 0.057 0.000 1.085 199 I CA 1.403 62.735 61.300 0.054 0.000 1.347 199 I CB -0.410 37.620 38.000 0.051 0.000 1.044 199 I HN 0.061 nan 8.210 nan 0.000 0.408 200 D N 1.028 121.459 120.400 0.051 0.000 2.123 200 D HA -0.177 4.458 4.640 -0.009 0.000 0.196 200 D C 2.147 178.482 176.300 0.058 0.000 0.992 200 D CA 1.131 55.161 54.000 0.050 0.000 0.833 200 D CB -0.251 40.575 40.800 0.044 0.000 0.954 200 D HN 0.272 nan 8.370 nan 0.000 0.455 201 K N 0.394 120.832 120.400 0.063 0.000 2.063 201 K HA -0.140 4.175 4.320 -0.009 0.000 0.208 201 K C 2.204 178.860 176.600 0.093 0.000 1.048 201 K CA 0.936 57.268 56.287 0.074 0.000 0.928 201 K CB 0.015 32.558 32.500 0.072 0.000 0.713 201 K HN -0.067 nan 8.250 nan 0.000 0.442 202 R N 0.632 121.188 120.500 0.093 0.000 2.092 202 R HA -0.002 4.333 4.340 -0.009 0.000 0.231 202 R C 2.168 178.546 176.300 0.129 0.000 1.119 202 R CA 0.836 57.013 56.100 0.129 0.000 0.970 202 R CB -0.276 30.089 30.300 0.108 0.000 0.864 202 R HN 0.168 nan 8.270 nan 0.000 0.440 203 I N 0.940 121.559 120.570 0.082 0.000 2.202 203 I HA -0.196 3.969 4.170 -0.009 0.000 0.242 203 I C 1.683 177.827 176.117 0.045 0.000 1.091 203 I CA 1.484 62.816 61.300 0.052 0.000 1.368 203 I CB -1.041 36.981 38.000 0.037 0.000 1.058 203 I HN 0.276 nan 8.210 nan 0.000 0.410 204 E N 0.650 120.884 120.200 0.056 0.000 2.110 204 E HA -0.189 4.156 4.350 -0.009 0.000 0.193 204 E C 1.629 178.265 176.600 0.060 0.000 0.988 204 E CA 1.849 58.278 56.400 0.050 0.000 0.804 204 E CB -0.240 29.493 29.700 0.055 0.000 0.745 204 E HN 0.558 nan 8.360 nan 0.000 0.458 205 T N -1.128 113.492 114.554 0.109 0.000 3.188 205 T HA 0.104 4.449 4.350 -0.009 0.000 0.250 205 T C 0.343 175.083 174.700 0.068 0.000 1.077 205 T CA -0.324 61.868 62.100 0.152 0.000 0.967 205 T CB 0.103 69.147 68.868 0.292 0.000 1.006 205 T HN -0.074 nan 8.240 nan 0.000 0.552 206 K N -0.227 120.168 120.400 -0.008 0.000 3.160 206 K HA -0.215 4.099 4.320 -0.009 0.000 0.280 206 K C -0.394 176.052 176.600 -0.255 0.000 1.154 206 K CA 0.728 56.933 56.287 -0.138 0.000 0.822 206 K CB -2.759 29.613 32.500 -0.214 0.000 1.239 206 K HN 0.619 nan 8.250 nan 0.000 0.489 207 Y N -1.253 119.034 120.300 -0.021 0.000 2.458 207 Y HA 0.226 4.770 4.550 -0.008 0.000 0.256 207 Y C 0.934 176.824 175.900 -0.017 0.000 1.159 207 Y CA -0.120 57.971 58.100 -0.014 0.000 1.261 207 Y CB 1.016 39.481 38.460 0.008 0.000 1.119 207 Y HN 0.297 nan 8.280 nan 0.000 0.524 208 C N -0.021 119.322 119.300 0.072 0.000 3.006 208 C HA 0.231 4.686 4.460 -0.009 0.000 0.359 208 C C 0.647 175.629 174.990 -0.013 0.000 1.103 208 C CA -0.855 58.183 59.018 0.033 0.000 1.286 208 C CB 0.497 28.273 27.740 0.061 0.000 1.694 208 C HN 0.382 nan 8.230 nan 0.000 0.511 209 D N 1.969 122.342 120.400 -0.045 0.000 2.084 209 D HA 0.036 4.670 4.640 -0.009 0.000 0.199 209 D C 0.795 177.040 176.300 -0.091 0.000 0.981 209 D CA 1.285 55.234 54.000 -0.085 0.000 0.841 209 D CB 0.187 40.914 40.800 -0.122 0.000 0.997 209 D HN 0.632 nan 8.370 nan 0.000 0.454 210 R N -0.204 120.245 120.500 -0.085 0.000 2.939 210 R HA 0.615 4.950 4.340 -0.009 0.000 0.254 210 R C -0.261 176.086 176.300 0.077 0.000 1.123 210 R CA -0.839 55.217 56.100 -0.073 0.000 1.020 210 R CB 2.012 32.127 30.300 -0.307 0.000 1.206 210 R HN -0.019 nan 8.270 nan 0.000 0.491 211 K N -0.564 119.937 120.400 0.167 0.000 2.508 211 K HA 0.630 4.945 4.320 -0.009 0.000 0.260 211 K C -1.379 175.392 176.600 0.284 0.000 0.949 211 K CA -0.729 55.676 56.287 0.197 0.000 0.834 211 K CB 2.641 35.208 32.500 0.111 0.000 1.365 211 K HN 0.515 nan 8.250 nan 0.000 0.437 212 T N -0.438 114.219 114.554 0.172 0.000 2.886 212 T HA 0.547 4.892 4.350 -0.009 0.000 0.330 212 T C -0.828 173.876 174.700 0.008 0.000 1.488 212 T CA -0.036 62.106 62.100 0.069 0.000 1.054 212 T CB 1.651 70.461 68.868 -0.098 0.000 1.348 212 T HN 0.745 nan 8.240 nan 0.000 0.489 213 A N 1.871 124.679 122.820 -0.021 0.000 2.252 213 A HA 0.500 4.815 4.320 -0.009 0.000 0.213 213 A C 1.023 178.577 177.584 -0.051 0.000 1.188 213 A CA 0.683 52.705 52.037 -0.024 0.000 0.863 213 A CB -0.093 18.899 19.000 -0.014 0.000 0.893 213 A HN 1.124 nan 8.150 nan 0.000 0.495 214 S N -0.357 115.288 115.700 -0.093 0.000 2.437 214 S HA 0.524 4.989 4.470 -0.009 0.000 0.305 214 S C 0.838 175.358 174.600 -0.135 0.000 1.109 214 S CA -0.618 57.517 58.200 -0.109 0.000 1.099 214 S CB 0.567 63.689 63.200 -0.129 0.000 1.004 214 S HN 0.247 nan 8.310 nan 0.000 0.475 215 I N 2.191 122.706 120.570 -0.091 0.000 2.286 215 I HA -0.122 4.043 4.170 -0.009 0.000 0.248 215 I C 2.672 178.720 176.117 -0.115 0.000 1.115 215 I CA 1.254 62.506 61.300 -0.080 0.000 1.392 215 I CB -0.327 37.649 38.000 -0.039 0.000 1.065 215 I HN 0.681 nan 8.210 nan 0.000 0.418 216 E N 1.222 121.349 120.200 -0.122 0.000 2.058 216 E HA -0.294 4.051 4.350 -0.009 0.000 0.194 216 E C 2.028 178.493 176.600 -0.225 0.000 0.997 216 E CA 1.723 58.041 56.400 -0.136 0.000 0.801 216 E CB -0.095 29.536 29.700 -0.115 0.000 0.746 216 E HN 0.452 nan 8.360 nan 0.000 0.450 217 E N -0.714 119.286 120.200 -0.332 0.000 2.077 217 E HA -0.192 4.153 4.350 -0.009 0.000 0.193 217 E C 1.933 178.076 176.600 -0.762 0.000 0.989 217 E CA 1.032 57.054 56.400 -0.629 0.000 0.800 217 E CB -0.219 29.034 29.700 -0.745 0.000 0.746 217 E HN 0.300 nan 8.360 nan 0.000 0.452 218 A N 1.032 123.576 122.820 -0.459 0.000 1.883 218 A HA -0.181 4.134 4.320 -0.009 0.000 0.217 218 A C 2.207 179.737 177.584 -0.089 0.000 1.186 218 A CA 1.399 53.309 52.037 -0.211 0.000 0.624 218 A CB -0.773 18.175 19.000 -0.087 0.000 0.822 218 A HN 0.333 nan 8.150 nan 0.000 0.444 219 L N -0.945 120.217 121.223 -0.102 0.000 2.141 219 L HA -0.154 4.181 4.340 -0.009 0.000 0.209 219 L C 3.046 179.895 176.870 -0.035 0.000 1.094 219 L CA 0.850 55.662 54.840 -0.048 0.000 0.763 219 L CB -0.478 41.554 42.059 -0.045 0.000 0.908 219 L HN 0.456 nan 8.230 nan 0.000 0.437 220 A N -0.507 122.256 122.820 -0.095 0.000 1.898 220 A HA -0.197 4.118 4.320 -0.009 0.000 0.216 220 A C 1.950 179.586 177.584 0.085 0.000 1.181 220 A CA 1.151 53.158 52.037 -0.050 0.000 0.620 220 A CB -0.701 18.223 19.000 -0.128 0.000 0.819 220 A HN 0.461 nan 8.150 nan 0.000 0.442 221 W N -0.287 120.999 121.300 -0.023 0.000 2.381 221 W HA -0.003 4.652 4.660 -0.009 0.000 0.301 221 W C 2.821 179.319 176.519 -0.036 0.000 1.205 221 W CA 0.716 58.045 57.345 -0.028 0.000 1.285 221 W CB -1.237 28.207 29.460 -0.028 0.000 1.133 221 W HN 0.440 nan 8.180 nan 0.000 0.521 222 A N 0.160 123.098 122.820 0.197 0.000 1.877 222 A HA -0.229 4.086 4.320 -0.009 0.000 0.216 222 A C 1.948 179.557 177.584 0.042 0.000 1.186 222 A CA 2.189 54.276 52.037 0.083 0.000 0.620 222 A CB -0.786 18.237 19.000 0.038 0.000 0.822 222 A HN 0.202 nan 8.150 nan 0.000 0.443 223 E N 0.091 120.314 120.200 0.039 0.000 2.077 223 E HA -0.202 4.143 4.350 -0.009 0.000 0.193 223 E C 1.970 178.586 176.600 0.026 0.000 0.989 223 E CA 1.648 58.060 56.400 0.020 0.000 0.800 223 E CB -0.296 29.413 29.700 0.015 0.000 0.746 223 E HN 0.725 nan 8.360 nan 0.000 0.452 224 E N -0.521 119.710 120.200 0.052 0.000 2.051 224 E HA -0.219 4.126 4.350 -0.009 0.000 0.192 224 E C 1.884 178.497 176.600 0.022 0.000 0.991 224 E CA 1.250 57.678 56.400 0.047 0.000 0.799 224 E CB -0.231 29.522 29.700 0.088 0.000 0.748 224 E HN 0.294 nan 8.360 nan 0.000 0.449 225 A N 1.298 124.130 122.820 0.020 0.000 1.897 225 A HA -0.148 4.167 4.320 -0.009 0.000 0.215 225 A C 2.129 179.699 177.584 -0.025 0.000 1.181 225 A CA 1.493 53.522 52.037 -0.013 0.000 0.620 225 A CB -0.436 18.549 19.000 -0.024 0.000 0.821 225 A HN 0.213 nan 8.150 nan 0.000 0.443 226 K N -0.417 119.969 120.400 -0.022 0.000 2.057 226 K HA -0.087 4.228 4.320 -0.009 0.000 0.207 226 K C 1.910 178.493 176.600 -0.027 0.000 1.049 226 K CA 1.321 57.586 56.287 -0.037 0.000 0.931 226 K CB -0.284 32.193 32.500 -0.039 0.000 0.714 226 K HN 0.452 nan 8.250 nan 0.000 0.440 227 L N 0.350 121.565 121.223 -0.014 0.000 1.994 227 L HA -0.158 4.177 4.340 -0.009 0.000 0.208 227 L C 2.273 179.136 176.870 -0.012 0.000 1.071 227 L CA 1.485 56.320 54.840 -0.009 0.000 0.745 227 L CB -0.357 41.702 42.059 -0.000 0.000 0.892 227 L HN 0.262 nan 8.230 nan 0.000 0.431 228 A N -0.502 122.310 122.820 -0.014 0.000 2.239 228 A HA 0.132 4.446 4.320 -0.009 0.000 0.209 228 A C 1.507 179.077 177.584 -0.024 0.000 1.171 228 A CA 0.696 52.722 52.037 -0.018 0.000 0.768 228 A CB -0.952 18.036 19.000 -0.020 0.000 0.790 228 A HN 0.587 nan 8.150 nan 0.000 0.478 229 G N -0.095 108.688 108.800 -0.028 0.000 2.338 229 G HA2 -0.250 3.705 3.960 -0.009 0.000 0.296 229 G HA3 -0.250 3.705 3.960 -0.009 0.000 0.296 229 G C -0.045 174.831 174.900 -0.042 0.000 1.040 229 G CA 0.691 45.770 45.100 -0.035 0.000 1.004 229 G HN 0.506 nan 8.290 nan 0.000 0.509 230 K N 0.200 120.572 120.400 -0.047 0.000 2.267 230 K HA 0.536 4.851 4.320 -0.009 0.000 0.246 230 K C -2.443 174.118 176.600 -0.066 0.000 0.954 230 K CA -1.956 54.298 56.287 -0.054 0.000 0.824 230 K CB 2.851 35.318 32.500 -0.055 0.000 1.167 230 K HN 0.105 nan 8.250 nan 0.000 0.431 231 P HA 0.336 nan 4.420 nan 0.000 0.274 231 P C -0.692 176.555 177.300 -0.089 0.000 1.231 231 P CA -0.417 62.633 63.100 -0.084 0.000 0.790 231 P CB 1.176 32.828 31.700 -0.079 0.000 0.951 232 L N 1.112 122.279 121.223 -0.093 0.000 2.666 232 L HA 0.226 4.561 4.340 -0.009 0.000 0.259 232 L C -1.001 175.821 176.870 -0.080 0.000 0.919 232 L CA -0.350 54.435 54.840 -0.091 0.000 0.927 232 L CB 2.038 44.047 42.059 -0.082 0.000 1.423 232 L HN 0.504 nan 8.230 nan 0.000 0.426 233 S N 4.320 119.975 115.700 -0.075 0.000 2.454 233 S HA 0.809 5.274 4.470 -0.009 0.000 0.306 233 S C -0.727 173.865 174.600 -0.012 0.000 1.100 233 S CA -0.680 57.490 58.200 -0.050 0.000 1.087 233 S CB 1.914 65.085 63.200 -0.047 0.000 1.019 233 S HN 0.457 nan 8.310 nan 0.000 0.480 234 I N 2.102 122.690 120.570 0.030 0.000 2.447 234 I HA 0.529 4.694 4.170 -0.009 0.000 0.287 234 I C -0.084 176.088 176.117 0.091 0.000 1.023 234 I CA -0.889 60.475 61.300 0.106 0.000 1.083 234 I CB 1.898 40.012 38.000 0.191 0.000 1.245 234 I HN 0.869 nan 8.210 nan 0.000 0.434 235 A N 6.830 129.711 122.820 0.101 0.000 2.276 235 A HA 0.652 4.966 4.320 -0.009 0.000 0.300 235 A C -0.879 176.755 177.584 0.084 0.000 1.235 235 A CA -0.331 51.754 52.037 0.080 0.000 0.867 235 A CB 0.617 19.661 19.000 0.073 0.000 1.137 235 A HN 0.587 nan 8.150 nan 0.000 0.527 236 L N 3.911 125.169 121.223 0.058 0.000 2.280 236 L HA 0.408 4.743 4.340 -0.009 0.000 0.287 236 L C -0.376 176.507 176.870 0.022 0.000 1.023 236 L CA -0.468 54.395 54.840 0.038 0.000 0.819 236 L CB 1.080 43.156 42.059 0.028 0.000 1.212 236 L HN 0.697 nan 8.230 nan 0.000 0.420 237 L N 6.252 127.485 121.223 0.017 0.000 2.500 237 L HA 0.582 4.917 4.340 -0.009 0.000 0.272 237 L C 0.381 177.246 176.870 -0.008 0.000 1.149 237 L CA 0.701 55.545 54.840 0.007 0.000 0.897 237 L CB -0.246 41.819 42.059 0.009 0.000 1.178 237 L HN 0.907 nan 8.230 nan 0.000 0.473 238 G N 4.053 112.841 108.800 -0.019 0.000 2.315 238 G HA2 -0.039 3.916 3.960 -0.009 0.000 0.294 238 G HA3 -0.039 3.916 3.960 -0.009 0.000 0.294 238 G C -1.890 172.973 174.900 -0.061 0.000 1.300 238 G CA -0.756 44.325 45.100 -0.033 0.000 0.843 238 G HN 0.496 nan 8.290 nan 0.000 0.527 239 N N 0.559 119.216 118.700 -0.072 0.000 2.469 239 N HA 0.482 5.216 4.740 -0.009 0.000 0.253 239 N C 1.335 176.751 175.510 -0.157 0.000 0.970 239 N CA 0.339 53.322 53.050 -0.111 0.000 0.940 239 N CB 1.712 40.155 38.487 -0.073 0.000 1.128 239 N HN 0.818 nan 8.380 nan 0.000 0.503 240 A N 4.150 126.810 122.820 -0.267 0.000 1.917 240 A HA -0.197 4.118 4.320 -0.009 0.000 0.219 240 A C 2.069 179.321 177.584 -0.553 0.000 1.182 240 A CA 2.189 53.869 52.037 -0.596 0.000 0.633 240 A CB -0.820 17.699 19.000 -0.802 0.000 0.819 240 A HN 0.770 nan 8.150 nan 0.000 0.448 241 A N -0.867 121.835 122.820 -0.196 0.000 2.032 241 A HA -0.207 4.108 4.320 -0.009 0.000 0.221 241 A C 2.015 179.658 177.584 0.100 0.000 1.165 241 A CA 2.009 54.067 52.037 0.035 0.000 0.645 241 A CB -0.371 18.766 19.000 0.230 0.000 0.807 241 A HN 0.763 nan 8.150 nan 0.000 0.453 242 E N -0.894 119.318 120.200 0.020 0.000 2.110 242 E HA -0.008 4.337 4.350 -0.009 0.000 0.193 242 E C 1.816 178.455 176.600 0.065 0.000 0.950 242 E CA 0.754 57.191 56.400 0.061 0.000 0.840 242 E CB 0.099 29.810 29.700 0.019 0.000 0.809 242 E HN 0.227 nan 8.360 nan 0.000 0.465 243 V N 1.545 121.459 119.914 -0.000 0.000 2.332 243 V HA -0.276 3.839 4.120 -0.009 0.000 0.248 243 V C 2.086 178.270 176.094 0.151 0.000 1.055 243 V CA 2.257 64.586 62.300 0.048 0.000 1.038 243 V CB -0.847 30.990 31.823 0.023 0.000 0.651 243 V HN 0.410 nan 8.190 nan 0.000 0.450 244 H N -1.444 117.609 119.070 -0.029 0.000 2.387 244 H HA -0.169 4.382 4.556 -0.009 0.000 0.299 244 H C 2.364 177.682 175.328 -0.016 0.000 1.099 244 H CA 1.449 57.491 56.048 -0.010 0.000 1.315 244 H CB 0.008 29.701 29.762 -0.115 0.000 1.380 244 H HN 0.506 nan 8.280 nan 0.000 0.513 245 H N -0.321 118.839 119.070 0.149 0.000 2.462 245 H HA -0.047 4.503 4.556 -0.009 0.000 0.292 245 H C 2.099 177.446 175.328 0.032 0.000 1.049 245 H CA 1.342 57.421 56.048 0.051 0.000 1.334 245 H CB 0.100 29.876 29.762 0.024 0.000 1.404 245 H HN 0.334 nan 8.280 nan 0.000 0.544 246 T N 1.277 115.923 114.554 0.153 0.000 2.777 246 T HA -0.053 4.292 4.350 -0.009 0.000 0.266 246 T C 2.402 177.150 174.700 0.080 0.000 1.040 246 T CA 0.621 62.776 62.100 0.092 0.000 1.141 246 T CB -0.190 68.719 68.868 0.067 0.000 0.868 246 T HN 0.198 nan 8.240 nan 0.000 0.444 247 L N 0.774 122.067 121.223 0.117 0.000 2.141 247 L HA 0.032 4.367 4.340 -0.009 0.000 0.209 247 L C 2.528 179.486 176.870 0.147 0.000 1.094 247 L CA 0.579 55.503 54.840 0.140 0.000 0.763 247 L CB -0.561 41.609 42.059 0.185 0.000 0.908 247 L HN 0.237 nan 8.230 nan 0.000 0.437 248 L N 0.440 121.703 121.223 0.067 0.000 2.027 248 L HA -0.144 4.191 4.340 -0.009 0.000 0.206 248 L C 1.685 178.484 176.870 -0.118 0.000 1.074 248 L CA 1.859 56.560 54.840 -0.232 0.000 0.745 248 L CB -0.673 41.107 42.059 -0.465 0.000 0.898 248 L HN 0.410 nan 8.230 nan 0.000 0.433 249 N N 0.173 118.856 118.700 -0.029 0.000 2.449 249 N HA -0.068 4.667 4.740 -0.009 0.000 0.191 249 N C 1.494 177.003 175.510 -0.001 0.000 1.161 249 N CA 0.273 53.316 53.050 -0.013 0.000 0.863 249 N CB 0.045 38.539 38.487 0.011 0.000 0.980 249 N HN 0.417 nan 8.380 nan 0.000 0.458 250 R N -0.126 120.380 120.500 0.010 0.000 2.365 250 R HA 0.118 4.453 4.340 -0.009 0.000 0.223 250 R C 0.756 177.066 176.300 0.017 0.000 0.899 250 R CA 0.573 56.682 56.100 0.015 0.000 1.059 250 R CB 0.325 30.639 30.300 0.024 0.000 1.086 250 R HN 0.092 nan 8.270 nan 0.000 0.522 251 G N 1.041 109.851 108.800 0.016 0.000 2.143 251 G HA2 -0.239 3.716 3.960 -0.009 0.000 0.248 251 G HA3 -0.239 3.716 3.960 -0.009 0.000 0.248 251 G C 0.017 174.949 174.900 0.053 0.000 0.991 251 G CA 0.276 45.390 45.100 0.023 0.000 0.689 251 G HN 0.178 nan 8.290 nan 0.000 0.522 252 V N 2.228 122.189 119.914 0.077 0.000 2.763 252 V HA 0.252 4.367 4.120 -0.009 0.000 0.306 252 V C 1.041 177.201 176.094 0.111 0.000 1.059 252 V CA 0.338 62.686 62.300 0.080 0.000 1.138 252 V CB 0.976 32.845 31.823 0.076 0.000 0.940 252 V HN 0.487 nan 8.190 nan 0.000 0.489 253 K N 5.790 126.227 120.400 0.063 0.000 2.310 253 K HA 0.449 4.764 4.320 -0.009 0.000 0.290 253 K C -0.863 175.744 176.600 0.012 0.000 1.077 253 K CA 0.090 56.412 56.287 0.058 0.000 0.922 253 K CB 0.686 33.207 32.500 0.035 0.000 1.057 253 K HN 0.525 nan 8.250 nan 0.000 0.479 254 I N 3.182 123.754 120.570 0.003 0.000 2.389 254 I HA 0.074 4.239 4.170 -0.009 0.000 0.288 254 I C 0.635 176.696 176.117 -0.094 0.000 0.999 254 I CA -0.561 60.649 61.300 -0.150 0.000 1.129 254 I CB 1.794 39.506 38.000 -0.479 0.000 1.288 254 I HN 0.532 nan 8.210 nan 0.000 0.444 255 D N 5.983 126.332 120.400 -0.085 0.000 2.183 255 D HA 0.156 4.790 4.640 -0.009 0.000 0.205 255 D C 0.449 176.788 176.300 0.065 0.000 0.962 255 D CA 1.489 55.501 54.000 0.019 0.000 0.849 255 D CB 0.828 41.556 40.800 -0.119 0.000 0.978 255 D HN 0.321 nan 8.370 nan 0.000 0.488 256 I N 0.729 121.276 120.570 -0.039 0.000 2.582 256 I HA 0.259 4.423 4.170 -0.009 0.000 0.292 256 I C -0.969 175.073 176.117 -0.125 0.000 1.066 256 I CA -0.817 60.497 61.300 0.023 0.000 1.053 256 I CB 3.156 41.259 38.000 0.173 0.000 1.241 256 I HN -0.375 nan 8.210 nan 0.000 0.421 257 V N 3.875 123.688 119.914 -0.168 0.000 2.686 257 V HA 0.709 4.823 4.120 -0.009 0.000 0.306 257 V C -0.287 175.563 176.094 -0.407 0.000 1.065 257 V CA -0.300 61.804 62.300 -0.325 0.000 0.894 257 V CB 2.039 33.602 31.823 -0.434 0.000 1.004 257 V HN 0.900 nan 8.190 nan 0.000 0.424 258 T N 2.370 116.688 114.554 -0.394 0.000 2.626 258 T HA 0.648 4.992 4.350 -0.009 0.000 0.299 258 T C -2.258 172.349 174.700 -0.155 0.000 1.181 258 T CA -0.226 61.552 62.100 -0.538 0.000 1.053 258 T CB 2.100 70.301 68.868 -1.111 0.000 1.566 258 T HN 0.909 nan 8.240 nan 0.000 0.486 259 D N -0.417 119.948 120.400 -0.059 0.000 2.663 259 D HA 0.414 5.049 4.640 -0.009 0.000 0.233 259 D C -1.305 175.099 176.300 0.173 0.000 1.240 259 D CA -0.228 53.849 54.000 0.129 0.000 0.774 259 D CB 1.746 42.644 40.800 0.164 0.000 1.443 259 D HN 0.401 nan 8.370 nan 0.000 0.441 260 Q N 1.642 121.568 119.800 0.210 0.000 2.275 260 Q HA 0.213 4.548 4.340 -0.009 0.000 0.314 260 Q C -0.752 175.380 176.000 0.219 0.000 0.851 260 Q CA -0.348 55.595 55.803 0.233 0.000 1.083 260 Q CB 0.750 29.656 28.738 0.280 0.000 1.341 260 Q HN 0.684 nan 8.270 nan 0.000 0.402 261 T N -2.739 111.952 114.554 0.228 0.000 2.828 261 T HA 0.276 4.621 4.350 -0.009 0.000 0.290 261 T C 0.705 175.553 174.700 0.247 0.000 1.019 261 T CA -0.464 61.776 62.100 0.233 0.000 1.031 261 T CB 1.532 70.594 68.868 0.323 0.000 1.001 261 T HN -0.018 nan 8.240 nan 0.000 0.531 262 S N 1.130 116.966 115.700 0.227 0.000 4.069 262 S HA 0.356 4.821 4.470 -0.009 0.000 0.192 262 S C 1.677 176.316 174.600 0.064 0.000 1.441 262 S CA -0.308 58.032 58.200 0.234 0.000 0.994 262 S CB -1.042 62.268 63.200 0.182 0.000 1.456 262 S HN 0.830 nan 8.310 nan 0.000 0.458 263 A N 1.971 124.877 122.820 0.143 0.000 2.125 263 A HA -0.145 4.170 4.320 -0.009 0.000 0.219 263 A C 1.871 179.435 177.584 -0.034 0.000 1.156 263 A CA 1.134 53.184 52.037 0.022 0.000 0.671 263 A CB -0.635 18.349 19.000 -0.026 0.000 0.794 263 A HN 0.893 nan 8.150 nan 0.000 0.459 264 H N -1.684 117.426 119.070 0.067 0.000 2.545 264 H HA -0.005 4.545 4.556 -0.009 0.000 0.282 264 H C -0.618 174.794 175.328 0.141 0.000 1.020 264 H CA 1.201 57.321 56.048 0.120 0.000 1.243 264 H CB -0.017 29.847 29.762 0.170 0.000 1.377 264 H HN 0.372 nan 8.280 nan 0.000 0.581 265 D N 0.892 120.857 120.400 -0.726 0.000 2.378 265 D HA 0.215 4.850 4.640 -0.009 0.000 0.265 265 D C -2.083 173.931 176.300 -0.478 0.000 1.229 265 D CA -2.324 51.192 54.000 -0.806 0.000 0.914 265 D CB 1.518 41.704 40.800 -1.023 0.000 1.140 265 D HN -0.034 nan 8.370 nan 0.000 0.516 266 P HA -0.147 nan 4.420 nan 0.000 0.217 266 P C 1.457 178.754 177.300 -0.004 0.000 1.148 266 P CA 0.521 63.560 63.100 -0.102 0.000 0.828 266 P CB 0.440 32.106 31.700 -0.057 0.000 0.783 267 L N -1.741 119.367 121.223 -0.192 0.000 2.095 267 L HA -0.017 4.318 4.340 -0.009 0.000 0.204 267 L C 1.865 178.504 176.870 -0.385 0.000 1.080 267 L CA 1.908 56.593 54.840 -0.260 0.000 0.759 267 L CB -0.498 41.347 42.059 -0.355 0.000 0.914 267 L HN -0.120 nan 8.230 nan 0.000 0.439 268 I N -1.495 118.888 120.570 -0.312 0.000 3.445 268 I HA 0.182 4.347 4.170 -0.009 0.000 0.288 268 I C 2.165 178.209 176.117 -0.120 0.000 1.198 268 I CA 1.046 62.201 61.300 -0.242 0.000 1.417 268 I CB -1.482 36.380 38.000 -0.230 0.000 1.205 268 I HN 0.289 nan 8.210 nan 0.000 0.448 269 G N -0.552 108.163 108.800 -0.141 0.000 2.813 269 G HA2 -0.143 3.812 3.960 -0.009 0.000 0.209 269 G HA3 -0.143 3.812 3.960 -0.009 0.000 0.209 269 G C 0.084 175.036 174.900 0.087 0.000 1.150 269 G CA 0.355 45.424 45.100 -0.052 0.000 0.785 269 G HN 0.275 nan 8.290 nan 0.000 0.535 270 Y N 0.096 120.400 120.300 0.007 0.000 2.386 270 Y HA 0.487 5.032 4.550 -0.008 0.000 0.334 270 Y C -0.808 175.135 175.900 0.073 0.000 1.002 270 Y CA -0.999 57.123 58.100 0.036 0.000 1.068 270 Y CB 2.096 40.557 38.460 0.001 0.000 1.203 270 Y HN -0.134 nan 8.280 nan 0.000 0.443 271 V N 8.354 128.097 119.914 -0.285 0.000 2.406 271 V HA 0.311 4.425 4.120 -0.009 0.000 0.272 271 V C -2.193 173.803 176.094 -0.164 0.000 1.043 271 V CA -1.955 60.259 62.300 -0.143 0.000 0.915 271 V CB 0.872 32.621 31.823 -0.123 0.000 0.988 271 V HN 0.653 nan 8.190 nan 0.000 0.466 272 P HA 0.088 nan 4.420 nan 0.000 0.268 272 P C -0.059 177.302 177.300 0.101 0.000 1.204 272 P CA -0.194 62.856 63.100 -0.084 0.000 0.768 272 P CB 0.443 31.902 31.700 -0.402 0.000 0.842 273 E N 2.629 122.908 120.200 0.132 0.000 2.452 273 E HA 0.146 4.491 4.350 -0.009 0.000 0.261 273 E C 0.964 177.649 176.600 0.142 0.000 0.987 273 E CA 0.653 57.120 56.400 0.112 0.000 0.926 273 E CB -0.552 29.201 29.700 0.089 0.000 0.934 273 E HN 0.763 nan 8.360 nan 0.000 0.452 274 G N 2.982 111.808 108.800 0.043 0.000 2.175 274 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.244 274 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.244 274 G C -0.683 174.054 174.900 -0.271 0.000 0.982 274 G CA 0.318 45.354 45.100 -0.105 0.000 0.641 274 G HN 0.492 nan 8.290 nan 0.000 0.527 275 Y N 1.566 121.844 120.300 -0.037 0.000 2.376 275 Y HA 0.620 5.165 4.550 -0.008 0.000 0.340 275 Y C 0.901 176.789 175.900 -0.021 0.000 0.965 275 Y CA -0.432 57.652 58.100 -0.027 0.000 1.078 275 Y CB 1.886 40.328 38.460 -0.031 0.000 1.193 275 Y HN 0.374 nan 8.280 nan 0.000 0.452 276 S N 2.039 117.801 115.700 0.103 0.000 2.634 276 S HA 0.259 4.724 4.470 -0.009 0.000 0.261 276 S C 1.057 175.715 174.600 0.096 0.000 1.271 276 S CA -0.620 57.619 58.200 0.065 0.000 0.985 276 S CB 0.540 63.761 63.200 0.036 0.000 0.968 276 S HN 0.762 nan 8.310 nan 0.000 0.568 277 L N 0.310 121.570 121.223 0.060 0.000 2.046 277 L HA -0.124 4.211 4.340 -0.009 0.000 0.208 277 L C 2.281 179.192 176.870 0.068 0.000 1.077 277 L CA 1.581 56.457 54.840 0.059 0.000 0.747 277 L CB -0.780 41.299 42.059 0.035 0.000 0.896 277 L HN 0.676 nan 8.230 nan 0.000 0.432 278 D N 0.126 120.561 120.400 0.059 0.000 2.097 278 D HA -0.188 4.447 4.640 -0.009 0.000 0.195 278 D C 2.083 178.433 176.300 0.084 0.000 0.989 278 D CA 1.284 55.318 54.000 0.056 0.000 0.827 278 D CB -0.120 40.705 40.800 0.041 0.000 0.966 278 D HN 0.410 nan 8.370 nan 0.000 0.456 279 E N 0.709 120.979 120.200 0.116 0.000 2.110 279 E HA -0.120 4.225 4.350 -0.009 0.000 0.193 279 E C 2.113 178.864 176.600 0.251 0.000 0.988 279 E CA 0.948 57.462 56.400 0.190 0.000 0.804 279 E CB -0.037 29.787 29.700 0.208 0.000 0.745 279 E HN 0.188 nan 8.360 nan 0.000 0.458 280 A N 1.670 124.623 122.820 0.223 0.000 1.902 280 A HA -0.220 4.095 4.320 -0.009 0.000 0.217 280 A C 1.704 179.380 177.584 0.153 0.000 1.181 280 A CA 1.678 53.818 52.037 0.172 0.000 0.623 280 A CB -0.353 18.752 19.000 0.175 0.000 0.818 280 A HN 0.088 nan 8.150 nan 0.000 0.443 281 D N -0.376 120.076 120.400 0.086 0.000 2.123 281 D HA -0.138 4.497 4.640 -0.009 0.000 0.196 281 D C 2.200 178.507 176.300 0.011 0.000 0.992 281 D CA 1.215 55.226 54.000 0.018 0.000 0.833 281 D CB -0.307 40.501 40.800 0.013 0.000 0.954 281 D HN 0.469 nan 8.370 nan 0.000 0.455 282 R N 0.139 120.668 120.500 0.049 0.000 2.090 282 R HA 0.032 4.367 4.340 -0.009 0.000 0.228 282 R C 2.472 178.801 176.300 0.048 0.000 1.110 282 R CA 0.221 56.347 56.100 0.044 0.000 0.973 282 R CB -0.365 29.972 30.300 0.062 0.000 0.869 282 R HN 0.208 nan 8.270 nan 0.000 0.440 283 L N 1.050 122.322 121.223 0.081 0.000 2.012 283 L HA -0.228 4.107 4.340 -0.009 0.000 0.210 283 L C 2.694 179.619 176.870 0.092 0.000 1.073 283 L CA 1.605 56.490 54.840 0.075 0.000 0.748 283 L CB -0.268 41.761 42.059 -0.050 0.000 0.891 283 L HN 0.169 nan 8.230 nan 0.000 0.431 284 R N -0.547 119.988 120.500 0.058 0.000 2.083 284 R HA -0.219 4.116 4.340 -0.009 0.000 0.237 284 R C 2.268 178.461 176.300 -0.179 0.000 1.137 284 R CA 2.043 57.986 56.100 -0.262 0.000 0.951 284 R CB -0.119 29.830 30.300 -0.586 0.000 0.851 284 R HN 0.557 nan 8.270 nan 0.000 0.434 285 Q N -0.305 119.431 119.800 -0.106 0.000 2.049 285 Q HA -0.118 4.217 4.340 -0.009 0.000 0.198 285 Q C 1.625 177.597 176.000 -0.047 0.000 0.971 285 Q CA 1.454 57.209 55.803 -0.079 0.000 0.833 285 Q CB 0.068 28.775 28.738 -0.051 0.000 0.896 285 Q HN 0.384 nan 8.270 nan 0.000 0.434 286 D N 0.403 120.792 120.400 -0.018 0.000 2.103 286 D HA -0.070 4.565 4.640 -0.009 0.000 0.199 286 D C 0.860 177.160 176.300 0.000 0.000 0.978 286 D CA 1.458 55.457 54.000 -0.002 0.000 0.829 286 D CB -0.016 40.793 40.800 0.015 0.000 0.981 286 D HN 0.265 nan 8.370 nan 0.000 0.464 287 T N -1.141 113.419 114.554 0.009 0.000 3.401 287 T HA 0.260 4.605 4.350 -0.009 0.000 0.341 287 T C -2.062 172.652 174.700 0.023 0.000 1.674 287 T CA -1.511 60.600 62.100 0.017 0.000 1.600 287 T CB 1.857 70.743 68.868 0.030 0.000 0.974 287 T HN -0.121 nan 8.240 nan 0.000 0.672 288 P HA -0.198 nan 4.420 nan 0.000 0.216 288 P C 1.166 178.480 177.300 0.022 0.000 1.153 288 P CA 1.412 64.490 63.100 -0.038 0.000 0.858 288 P CB 0.389 32.028 31.700 -0.102 0.000 0.789 289 E N -0.302 119.913 120.200 0.024 0.000 2.150 289 E HA -0.078 4.267 4.350 -0.009 0.000 0.193 289 E C 2.289 178.917 176.600 0.046 0.000 0.985 289 E CA 0.418 56.842 56.400 0.040 0.000 0.814 289 E CB -0.510 29.211 29.700 0.036 0.000 0.752 289 E HN 0.254 nan 8.360 nan 0.000 0.466 290 L N 0.336 121.584 121.223 0.042 0.000 2.072 290 L HA -0.176 4.159 4.340 -0.009 0.000 0.205 290 L C 2.459 179.332 176.870 0.005 0.000 1.079 290 L CA 1.212 56.065 54.840 0.023 0.000 0.752 290 L CB -0.245 41.826 42.059 0.020 0.000 0.906 290 L HN 0.159 nan 8.230 nan 0.000 0.436 291 Y N 0.080 120.320 120.300 -0.100 0.000 2.081 291 Y HA -0.318 4.227 4.550 -0.009 0.000 0.280 291 Y C 2.388 178.227 175.900 -0.102 0.000 1.163 291 Y CA 2.380 60.393 58.100 -0.145 0.000 1.135 291 Y CB -0.310 38.059 38.460 -0.152 0.000 0.970 291 Y HN -0.050 nan 8.280 nan 0.000 0.498 292 V N 0.819 120.848 119.914 0.192 0.000 2.295 292 V HA -0.338 3.777 4.120 -0.009 0.000 0.246 292 V C 2.386 178.488 176.094 0.015 0.000 1.049 292 V CA 2.326 64.695 62.300 0.115 0.000 1.024 292 V CB -0.681 31.197 31.823 0.091 0.000 0.648 292 V HN 0.372 nan 8.190 nan 0.000 0.447 293 R N -0.399 120.105 120.500 0.007 0.000 2.091 293 R HA -0.127 4.208 4.340 -0.009 0.000 0.238 293 R C 2.291 178.567 176.300 -0.040 0.000 1.136 293 R CA 1.510 57.605 56.100 -0.007 0.000 0.959 293 R CB -0.448 29.855 30.300 0.004 0.000 0.856 293 R HN 0.432 nan 8.270 nan 0.000 0.437 294 L N -0.185 120.985 121.223 -0.087 0.000 2.109 294 L HA -0.085 4.250 4.340 -0.009 0.000 0.207 294 L C 2.655 179.446 176.870 -0.131 0.000 1.086 294 L CA 0.931 55.703 54.840 -0.113 0.000 0.760 294 L CB -0.492 41.459 42.059 -0.181 0.000 0.910 294 L HN 0.235 nan 8.230 nan 0.000 0.437 295 A N 0.291 122.996 122.820 -0.193 0.000 1.898 295 A HA -0.205 4.110 4.320 -0.009 0.000 0.216 295 A C 2.310 179.837 177.584 -0.095 0.000 1.181 295 A CA 1.539 53.511 52.037 -0.109 0.000 0.620 295 A CB -0.303 18.656 19.000 -0.069 0.000 0.819 295 A HN 0.288 nan 8.150 nan 0.000 0.442 296 K N -0.728 119.622 120.400 -0.083 0.000 2.097 296 K HA -0.147 4.167 4.320 -0.009 0.000 0.206 296 K C 2.276 178.826 176.600 -0.084 0.000 1.049 296 K CA 1.331 57.563 56.287 -0.092 0.000 0.933 296 K CB -0.133 32.342 32.500 -0.041 0.000 0.717 296 K HN 0.378 nan 8.250 nan 0.000 0.442 297 Q N 0.392 120.163 119.800 -0.049 0.000 2.119 297 Q HA -0.066 4.269 4.340 -0.009 0.000 0.201 297 Q C 2.199 178.193 176.000 -0.009 0.000 0.972 297 Q CA 1.290 57.079 55.803 -0.022 0.000 0.847 297 Q CB -0.074 28.660 28.738 -0.008 0.000 0.903 297 Q HN 0.195 nan 8.270 nan 0.000 0.433 298 S N 0.416 116.114 115.700 -0.003 0.000 2.368 298 S HA -0.038 4.427 4.470 -0.009 0.000 0.224 298 S C 1.962 176.563 174.600 0.002 0.000 1.029 298 S CA 0.918 59.163 58.200 0.076 0.000 0.988 298 S CB -0.085 63.260 63.200 0.242 0.000 0.838 298 S HN 0.347 nan 8.310 nan 0.000 0.462 299 M N 1.059 120.497 119.600 -0.270 0.000 2.229 299 M HA -0.084 4.391 4.480 -0.009 0.000 0.264 299 M C 2.290 178.514 176.300 -0.126 0.000 1.063 299 M CA 1.144 56.209 55.300 -0.393 0.000 1.114 299 M CB -0.328 31.910 32.600 -0.604 0.000 1.387 299 M HN 0.205 nan 8.290 nan 0.000 0.420 300 K N 1.101 121.458 120.400 -0.072 0.000 2.026 300 K HA -0.223 4.092 4.320 -0.009 0.000 0.208 300 K C 2.034 178.676 176.600 0.071 0.000 1.048 300 K CA 1.546 57.827 56.287 -0.011 0.000 0.929 300 K CB -0.095 32.402 32.500 -0.006 0.000 0.713 300 K HN 0.189 nan 8.250 nan 0.000 0.439 301 K N -0.110 120.353 120.400 0.105 0.000 2.057 301 K HA -0.232 4.083 4.320 -0.009 0.000 0.207 301 K C 2.121 178.935 176.600 0.358 0.000 1.049 301 K CA 1.760 58.174 56.287 0.212 0.000 0.931 301 K CB -0.276 32.318 32.500 0.156 0.000 0.714 301 K HN 0.392 nan 8.250 nan 0.000 0.440 302 H N -0.445 118.712 119.070 0.145 0.000 2.352 302 H HA -0.100 4.451 4.556 -0.008 0.000 0.299 302 H C 1.774 177.171 175.328 0.115 0.000 1.097 302 H CA 1.478 57.602 56.048 0.128 0.000 1.311 302 H CB 0.280 30.098 29.762 0.093 0.000 1.377 302 H HN 0.027 nan 8.280 nan 0.000 0.504 303 V N 0.977 121.041 119.914 0.249 0.000 2.453 303 V HA -0.177 3.938 4.120 -0.009 0.000 0.247 303 V C 2.035 178.247 176.094 0.196 0.000 1.048 303 V CA 1.935 64.353 62.300 0.197 0.000 1.049 303 V CB -0.379 31.499 31.823 0.091 0.000 0.672 303 V HN 0.493 nan 8.190 nan 0.000 0.457 304 E N 0.574 120.882 120.200 0.180 0.000 2.118 304 E HA -0.218 4.127 4.350 -0.009 0.000 0.195 304 E C 2.312 178.980 176.600 0.113 0.000 0.992 304 E CA 1.367 57.864 56.400 0.161 0.000 0.804 304 E CB -0.323 29.492 29.700 0.193 0.000 0.741 304 E HN 0.618 nan 8.360 nan 0.000 0.458 305 A N 0.866 123.709 122.820 0.039 0.000 1.930 305 A HA -0.169 4.145 4.320 -0.009 0.000 0.217 305 A C 2.132 179.735 177.584 0.033 0.000 1.175 305 A CA 1.262 53.181 52.037 -0.196 0.000 0.627 305 A CB -0.382 18.308 19.000 -0.517 0.000 0.815 305 A HN 0.133 nan 8.150 nan 0.000 0.443 306 M N -0.664 119.015 119.600 0.131 0.000 2.175 306 M HA -0.062 4.413 4.480 -0.009 0.000 0.264 306 M C 2.051 178.351 176.300 -0.000 0.000 1.063 306 M CA 1.232 56.566 55.300 0.058 0.000 1.119 306 M CB -0.474 32.055 32.600 -0.118 0.000 1.377 306 M HN 0.342 nan 8.290 nan 0.000 0.415 307 L N -0.174 121.089 121.223 0.066 0.000 2.056 307 L HA -0.137 4.198 4.340 -0.009 0.000 0.207 307 L C 2.874 179.776 176.870 0.053 0.000 1.078 307 L CA 1.040 55.943 54.840 0.104 0.000 0.749 307 L CB -0.844 41.309 42.059 0.158 0.000 0.901 307 L HN 0.294 nan 8.230 nan 0.000 0.433 308 A N -0.177 122.640 122.820 -0.005 0.000 1.902 308 A HA -0.220 4.095 4.320 -0.009 0.000 0.217 308 A C 2.039 179.549 177.584 -0.123 0.000 1.181 308 A CA 1.513 53.494 52.037 -0.093 0.000 0.623 308 A CB -0.748 18.137 19.000 -0.192 0.000 0.818 308 A HN 0.278 nan 8.150 nan 0.000 0.443 309 F N -0.107 119.806 119.950 -0.061 0.000 2.102 309 F HA -0.179 4.342 4.527 -0.009 0.000 0.298 309 F C 2.644 178.412 175.800 -0.054 0.000 1.105 309 F CA 1.786 59.741 58.000 -0.074 0.000 1.239 309 F CB -0.649 38.274 39.000 -0.128 0.000 0.991 309 F HN 0.374 nan 8.300 nan 0.000 0.474 310 Q N 0.199 120.075 119.800 0.126 0.000 2.096 310 Q HA -0.266 4.069 4.340 -0.009 0.000 0.204 310 Q C 2.029 178.074 176.000 0.074 0.000 0.982 310 Q CA 1.935 57.784 55.803 0.077 0.000 0.850 310 Q CB -0.171 28.605 28.738 0.064 0.000 0.901 310 Q HN 0.519 nan 8.270 nan 0.000 0.422 311 Q N -0.125 119.711 119.800 0.060 0.000 2.224 311 Q HA -0.125 4.210 4.340 -0.009 0.000 0.203 311 Q C 1.671 177.693 176.000 0.037 0.000 0.970 311 Q CA 0.944 56.774 55.803 0.045 0.000 0.865 311 Q CB 0.008 28.765 28.738 0.031 0.000 0.922 311 Q HN 0.196 nan 8.270 nan 0.000 0.445 312 K N -0.782 119.642 120.400 0.040 0.000 2.418 312 K HA -0.025 4.290 4.320 -0.009 0.000 0.195 312 K C 0.801 177.444 176.600 0.071 0.000 1.035 312 K CA 0.705 57.018 56.287 0.043 0.000 1.003 312 K CB 0.303 32.823 32.500 0.034 0.000 0.793 312 K HN 0.352 nan 8.250 nan 0.000 0.494 313 G N 0.387 109.234 108.800 0.078 0.000 2.255 313 G HA2 -0.229 3.726 3.960 -0.009 0.000 0.196 313 G HA3 -0.229 3.726 3.960 -0.009 0.000 0.196 313 G C -0.028 174.918 174.900 0.076 0.000 0.998 313 G CA 0.129 45.272 45.100 0.071 0.000 0.656 313 G HN 0.356 nan 8.290 nan 0.000 0.490 314 S N 0.495 116.254 115.700 0.098 0.000 2.592 314 S HA 0.686 5.150 4.470 -0.009 0.000 0.271 314 S C 0.436 175.056 174.600 0.034 0.000 1.326 314 S CA -0.578 57.666 58.200 0.074 0.000 1.024 314 S CB 1.569 64.794 63.200 0.042 0.000 0.921 314 S HN 0.524 nan 8.310 nan 0.000 0.527 315 I N 2.079 122.664 120.570 0.026 0.000 2.396 315 I HA 0.273 4.438 4.170 -0.009 0.000 0.289 315 I C -0.628 175.530 176.117 0.068 0.000 1.056 315 I CA -0.511 60.784 61.300 -0.009 0.000 1.365 315 I CB 0.517 38.454 38.000 -0.105 0.000 1.407 315 I HN 0.343 nan 8.210 nan 0.000 0.509 316 V N 7.530 127.483 119.914 0.065 0.000 2.680 316 V HA 0.607 4.722 4.120 -0.009 0.000 0.309 316 V C -0.492 175.708 176.094 0.176 0.000 1.052 316 V CA -0.669 61.590 62.300 -0.069 0.000 0.908 316 V CB 1.665 33.259 31.823 -0.382 0.000 1.001 316 V HN 0.624 nan 8.190 nan 0.000 0.431 317 F N 0.485 120.454 119.950 0.031 0.000 2.654 317 F HA 0.654 5.175 4.527 -0.009 0.000 0.308 317 F C -1.021 175.059 175.800 0.466 0.000 1.108 317 F CA -1.100 57.128 58.000 0.379 0.000 0.957 317 F CB 1.519 40.752 39.000 0.388 0.000 1.309 317 F HN 0.488 nan 8.300 nan 0.000 0.446 318 D N 1.503 122.326 120.400 0.705 0.000 2.277 318 D HA 0.078 4.713 4.640 -0.009 0.000 0.249 318 D C -1.161 175.511 176.300 0.620 0.000 1.134 318 D CA 0.052 54.362 54.000 0.516 0.000 0.863 318 D CB 1.001 42.002 40.800 0.336 0.000 1.143 318 D HN 0.817 nan 8.370 nan 0.000 0.458 319 Y N 2.694 123.137 120.300 0.240 0.000 2.897 319 Y HA 0.294 4.839 4.550 -0.008 0.000 0.372 319 Y C 1.198 177.249 175.900 0.252 0.000 1.034 319 Y CA -0.050 58.186 58.100 0.226 0.000 1.627 319 Y CB -0.122 38.334 38.460 -0.006 0.000 1.474 319 Y HN 0.713 nan 8.280 nan 0.000 0.517 320 G N 2.275 111.263 108.800 0.313 0.000 2.272 320 G HA2 -0.367 3.588 3.960 -0.009 0.000 0.280 320 G HA3 -0.367 3.588 3.960 -0.009 0.000 0.280 320 G C 0.139 175.112 174.900 0.120 0.000 1.067 320 G CA 0.591 45.826 45.100 0.224 0.000 0.902 320 G HN 0.689 nan 8.290 nan 0.000 0.500 321 N N -0.230 118.549 118.700 0.132 0.000 2.197 321 N HA 0.118 4.853 4.740 -0.009 0.000 0.228 321 N C 0.702 176.283 175.510 0.119 0.000 1.212 321 N CA 0.006 53.147 53.050 0.151 0.000 0.883 321 N CB -0.084 38.511 38.487 0.179 0.000 1.107 321 N HN 0.359 nan 8.380 nan 0.000 0.519 322 N N 0.239 118.975 118.700 0.060 0.000 2.753 322 N HA -0.208 4.527 4.740 -0.009 0.000 0.251 322 N C 0.434 175.886 175.510 -0.097 0.000 1.097 322 N CA 0.733 53.761 53.050 -0.036 0.000 0.786 322 N CB -1.720 36.719 38.487 -0.079 0.000 1.137 322 N HN 0.578 nan 8.380 nan 0.000 0.566 323 I N -0.132 120.390 120.570 -0.080 0.000 2.454 323 I HA -0.233 3.932 4.170 -0.009 0.000 0.254 323 I C 2.083 178.060 176.117 -0.234 0.000 1.156 323 I CA 1.233 62.441 61.300 -0.154 0.000 1.433 323 I CB 0.005 37.908 38.000 -0.161 0.000 1.082 323 I HN 0.259 nan 8.210 nan 0.000 0.432 324 R N -0.142 120.157 120.500 -0.335 0.000 2.092 324 R HA -0.218 4.117 4.340 -0.009 0.000 0.231 324 R C 2.241 178.148 176.300 -0.656 0.000 1.119 324 R CA 1.409 57.108 56.100 -0.668 0.000 0.970 324 R CB -0.337 29.228 30.300 -1.225 0.000 0.864 324 R HN 0.347 nan 8.270 nan 0.000 0.440 325 Q N 0.751 120.327 119.800 -0.373 0.000 2.079 325 Q HA -0.096 4.239 4.340 -0.009 0.000 0.200 325 Q C 1.943 177.892 176.000 -0.085 0.000 0.974 325 Q CA 1.475 57.224 55.803 -0.089 0.000 0.840 325 Q CB -0.062 28.595 28.738 -0.135 0.000 0.898 325 Q HN 0.115 nan 8.270 nan 0.000 0.430 326 V N 0.623 120.457 119.914 -0.132 0.000 2.343 326 V HA -0.275 3.840 4.120 -0.009 0.000 0.247 326 V C 2.259 178.299 176.094 -0.089 0.000 1.051 326 V CA 1.847 64.089 62.300 -0.096 0.000 1.036 326 V CB -1.251 30.489 31.823 -0.138 0.000 0.654 326 V HN 0.517 nan 8.190 nan 0.000 0.451 327 A N -0.004 122.737 122.820 -0.130 0.000 1.930 327 A HA -0.229 4.086 4.320 -0.009 0.000 0.217 327 A C 2.213 179.765 177.584 -0.053 0.000 1.175 327 A CA 2.125 54.106 52.037 -0.093 0.000 0.627 327 A CB -0.462 18.475 19.000 -0.106 0.000 0.815 327 A HN 0.481 nan 8.150 nan 0.000 0.443 328 K N 0.644 121.006 120.400 -0.063 0.000 2.009 328 K HA -0.174 4.141 4.320 -0.009 0.000 0.210 328 K C 1.209 177.843 176.600 0.058 0.000 1.049 328 K CA 2.051 58.361 56.287 0.037 0.000 0.929 328 K CB -0.475 32.130 32.500 0.175 0.000 0.714 328 K HN 0.365 nan 8.250 nan 0.000 0.440 329 D N 0.645 121.078 120.400 0.055 0.000 2.311 329 D HA -0.125 4.510 4.640 -0.009 0.000 0.212 329 D C 1.036 177.359 176.300 0.038 0.000 0.972 329 D CA 0.800 54.836 54.000 0.060 0.000 0.887 329 D CB 0.041 40.882 40.800 0.069 0.000 0.915 329 D HN 0.347 nan 8.370 nan 0.000 0.497 330 E N -0.707 119.504 120.200 0.019 0.000 2.479 330 E HA 0.187 4.532 4.350 -0.009 0.000 0.193 330 E C 1.445 178.057 176.600 0.019 0.000 1.049 330 E CA 0.344 56.752 56.400 0.013 0.000 0.870 330 E CB 0.745 30.444 29.700 -0.003 0.000 0.944 330 E HN 0.327 nan 8.360 nan 0.000 0.492 331 G N 0.963 109.779 108.800 0.028 0.000 2.184 331 G HA2 -0.220 3.735 3.960 -0.009 0.000 0.206 331 G HA3 -0.220 3.735 3.960 -0.009 0.000 0.206 331 G C 0.261 175.181 174.900 0.033 0.000 0.995 331 G CA -0.214 44.904 45.100 0.031 0.000 0.651 331 G HN 0.293 nan 8.290 nan 0.000 0.511 332 L N 2.293 123.533 121.223 0.029 0.000 2.505 332 L HA 0.246 4.581 4.340 -0.009 0.000 0.279 332 L C 2.010 178.907 176.870 0.045 0.000 1.211 332 L CA 0.715 55.574 54.840 0.031 0.000 1.059 332 L CB 0.465 42.534 42.059 0.016 0.000 1.340 332 L HN 0.608 nan 8.230 nan 0.000 0.447 333 E N 2.169 122.401 120.200 0.053 0.000 2.219 333 E HA -0.257 4.088 4.350 -0.009 0.000 0.198 333 E C 1.013 177.664 176.600 0.086 0.000 0.998 333 E CA 1.845 58.286 56.400 0.068 0.000 0.818 333 E CB -0.101 29.632 29.700 0.054 0.000 0.741 333 E HN 0.711 nan 8.360 nan 0.000 0.477 334 N N 0.139 118.883 118.700 0.073 0.000 2.279 334 N HA 0.214 4.949 4.740 -0.009 0.000 0.226 334 N C 1.069 176.613 175.510 0.057 0.000 1.126 334 N CA 0.507 53.607 53.050 0.083 0.000 0.846 334 N CB 0.475 39.010 38.487 0.080 0.000 1.050 334 N HN 0.261 nan 8.380 nan 0.000 0.502 335 A N 0.415 123.237 122.820 0.003 0.000 2.032 335 A HA -0.065 4.250 4.320 -0.009 0.000 0.221 335 A C 0.938 178.256 177.584 -0.444 0.000 1.165 335 A CA 0.803 52.730 52.037 -0.184 0.000 0.645 335 A CB -0.812 18.018 19.000 -0.282 0.000 0.807 335 A HN 0.290 nan 8.150 nan 0.000 0.453 336 F N 0.003 119.853 119.950 -0.167 0.000 2.701 336 F HA 0.137 4.660 4.527 -0.008 0.000 0.295 336 F C 0.923 176.626 175.800 -0.161 0.000 1.165 336 F CA -0.224 57.630 58.000 -0.243 0.000 1.399 336 F CB 0.252 39.166 39.000 -0.142 0.000 0.996 336 F HN 0.105 nan 8.300 nan 0.000 0.513 337 D N 0.327 120.742 120.400 0.026 0.000 2.348 337 D HA -0.065 4.570 4.640 -0.009 0.000 0.216 337 D C 0.178 176.610 176.300 0.221 0.000 0.970 337 D CA 0.844 54.926 54.000 0.137 0.000 0.889 337 D CB -0.028 40.878 40.800 0.176 0.000 0.912 337 D HN 0.251 nan 8.370 nan 0.000 0.524 338 F N -0.786 119.226 119.950 0.105 0.000 2.546 338 F HA 0.646 5.169 4.527 -0.008 0.000 0.320 338 F C -2.690 173.199 175.800 0.149 0.000 1.076 338 F CA -2.929 55.141 58.000 0.116 0.000 0.928 338 F CB 0.849 39.914 39.000 0.108 0.000 1.189 338 F HN -0.327 nan 8.300 nan 0.000 0.465 339 P HA 0.316 nan 4.420 nan 0.000 0.276 339 P C -0.348 177.125 177.300 0.288 0.000 1.261 339 P CA -0.167 63.051 63.100 0.196 0.000 0.800 339 P CB 1.256 33.017 31.700 0.101 0.000 1.066 340 G N -0.009 108.910 108.800 0.198 0.000 2.420 340 G HA2 0.300 4.255 3.960 -0.009 0.000 0.284 340 G HA3 0.300 4.255 3.960 -0.009 0.000 0.284 340 G C 0.649 175.688 174.900 0.231 0.000 1.177 340 G CA -0.771 44.488 45.100 0.265 0.000 0.841 340 G HN 0.539 nan 8.290 nan 0.000 0.527 341 F N 1.303 121.441 119.950 0.313 0.000 2.307 341 F HA -0.106 4.416 4.527 -0.008 0.000 0.301 341 F C 1.840 177.679 175.800 0.065 0.000 1.076 341 F CA 0.958 59.094 58.000 0.226 0.000 1.383 341 F CB -0.555 38.697 39.000 0.420 0.000 1.055 341 F HN 0.152 nan 8.300 nan 0.000 0.526 342 V N 2.320 121.846 119.914 -0.646 0.000 2.255 342 V HA -0.143 3.972 4.120 -0.009 0.000 0.243 342 V C 0.025 175.969 176.094 -0.250 0.000 1.038 342 V CA 2.026 64.024 62.300 -0.503 0.000 1.008 342 V CB -1.971 29.580 31.823 -0.453 0.000 0.645 342 V HN 0.233 nan 8.190 nan 0.000 0.449 343 P HA -0.105 nan 4.420 nan 0.000 0.220 343 P C 1.411 178.608 177.300 -0.171 0.000 1.148 343 P CA 2.057 65.090 63.100 -0.112 0.000 0.803 343 P CB 0.060 31.731 31.700 -0.049 0.000 0.782 344 A N -1.426 121.220 122.820 -0.290 0.000 1.935 344 A HA -0.057 4.258 4.320 -0.009 0.000 0.214 344 A C 1.517 178.684 177.584 -0.694 0.000 1.178 344 A CA 1.118 52.810 52.037 -0.574 0.000 0.640 344 A CB -0.915 17.544 19.000 -0.903 0.000 0.825 344 A HN 0.151 nan 8.150 nan 0.000 0.447 345 Y N -2.580 117.661 120.300 -0.099 0.000 2.572 345 Y HA 0.339 4.884 4.550 -0.008 0.000 0.274 345 Y C 1.741 177.538 175.900 -0.173 0.000 1.135 345 Y CA -0.633 57.383 58.100 -0.140 0.000 1.230 345 Y CB 0.457 38.800 38.460 -0.196 0.000 1.293 345 Y HN 0.080 nan 8.280 nan 0.000 0.501 346 I N 0.054 120.584 120.570 -0.067 0.000 3.081 346 I HA 0.042 4.207 4.170 -0.009 0.000 0.274 346 I C 2.271 178.119 176.117 -0.448 0.000 1.178 346 I CA 0.614 61.769 61.300 -0.242 0.000 1.460 346 I CB -0.686 37.179 38.000 -0.225 0.000 1.137 346 I HN 0.140 nan 8.210 nan 0.000 0.443 347 R N 1.823 122.086 120.500 -0.395 0.000 2.140 347 R HA -0.208 4.127 4.340 -0.009 0.000 0.250 347 R C -0.623 175.489 176.300 -0.314 0.000 1.150 347 R CA 2.285 58.173 56.100 -0.353 0.000 0.966 347 R CB -1.135 29.030 30.300 -0.225 0.000 0.869 347 R HN 0.195 nan 8.270 nan 0.000 0.445 348 P HA -0.157 nan 4.420 nan 0.000 0.218 348 P C 0.913 178.132 177.300 -0.134 0.000 1.148 348 P CA 1.253 64.262 63.100 -0.151 0.000 0.822 348 P CB -0.019 31.625 31.700 -0.093 0.000 0.784 349 L N -2.790 118.342 121.223 -0.152 0.000 2.093 349 L HA -0.144 4.191 4.340 -0.009 0.000 0.208 349 L C 2.217 179.108 176.870 0.036 0.000 1.085 349 L CA 1.168 55.982 54.840 -0.043 0.000 0.755 349 L CB -0.828 41.236 42.059 0.009 0.000 0.904 349 L HN -0.060 nan 8.230 nan 0.000 0.435 350 F N -0.375 119.488 119.950 -0.145 0.000 2.186 350 F HA -0.173 4.349 4.527 -0.008 0.000 0.299 350 F C 2.563 178.095 175.800 -0.447 0.000 1.090 350 F CA 0.336 58.148 58.000 -0.312 0.000 1.307 350 F CB -1.456 37.254 39.000 -0.483 0.000 1.019 350 F HN 0.121 nan 8.300 nan 0.000 0.489 351 C N -0.052 119.084 119.300 -0.273 0.000 2.430 351 C HA -0.103 4.352 4.460 -0.009 0.000 0.288 351 C C 1.933 176.864 174.990 -0.098 0.000 1.448 351 C CA 0.651 59.523 59.018 -0.244 0.000 1.784 351 C CB -1.441 26.194 27.740 -0.175 0.000 1.776 351 C HN 0.404 nan 8.230 nan 0.000 0.547 352 E N -0.607 119.564 120.200 -0.049 0.000 2.538 352 E HA 0.224 4.569 4.350 -0.009 0.000 0.207 352 E C 1.462 178.081 176.600 0.031 0.000 1.002 352 E CA 0.521 56.919 56.400 -0.003 0.000 0.952 352 E CB 0.316 30.022 29.700 0.010 0.000 1.031 352 E HN 0.552 nan 8.360 nan 0.000 0.476 353 G N 2.571 111.380 108.800 0.016 0.000 2.143 353 G HA2 -0.305 3.650 3.960 -0.009 0.000 0.248 353 G HA3 -0.305 3.650 3.960 -0.009 0.000 0.248 353 G C 0.139 175.054 174.900 0.024 0.000 0.991 353 G CA 0.270 45.391 45.100 0.035 0.000 0.689 353 G HN 0.147 nan 8.290 nan 0.000 0.522 354 K N 0.006 120.456 120.400 0.082 0.000 2.154 354 K HA 0.627 4.942 4.320 -0.009 0.000 0.264 354 K C 0.679 177.286 176.600 0.010 0.000 1.008 354 K CA 0.282 56.632 56.287 0.105 0.000 0.937 354 K CB 1.392 34.054 32.500 0.271 0.000 1.002 354 K HN 0.692 nan 8.250 nan 0.000 0.469 355 G N 0.937 109.498 108.800 -0.399 0.000 2.441 355 G HA2 0.165 4.119 3.960 -0.009 0.000 0.294 355 G HA3 0.165 4.119 3.960 -0.009 0.000 0.294 355 G C -2.898 171.004 174.900 -1.664 0.000 1.393 355 G CA -0.860 43.594 45.100 -1.076 0.000 0.796 355 G HN 0.317 nan 8.290 nan 0.000 0.494 356 P HA 0.156 nan 4.420 nan 0.000 0.246 356 P C -0.153 177.007 177.300 -0.234 0.000 1.675 356 P CA -0.197 62.464 63.100 -0.733 0.000 0.908 356 P CB -0.590 30.998 31.700 -0.186 0.000 1.890 357 F N 3.111 122.858 119.950 -0.339 0.000 2.553 357 F HA 0.129 4.651 4.527 -0.009 0.000 0.356 357 F C 1.076 176.856 175.800 -0.033 0.000 1.142 357 F CA 0.263 58.206 58.000 -0.095 0.000 1.322 357 F CB 0.587 39.588 39.000 0.000 0.000 1.126 357 F HN 0.210 nan 8.300 nan 0.000 0.599 358 R N 3.774 123.988 120.500 -0.476 0.000 2.728 358 R HA 0.643 4.978 4.340 -0.009 0.000 0.274 358 R C -2.332 173.783 176.300 -0.309 0.000 1.030 358 R CA -1.083 54.757 56.100 -0.434 0.000 0.876 358 R CB 1.288 31.432 30.300 -0.259 0.000 1.259 358 R HN 0.761 nan 8.270 nan 0.000 0.468 359 W N -0.602 120.569 121.300 -0.215 0.000 3.137 359 W HA 0.843 5.498 4.660 -0.009 0.000 0.324 359 W C -1.955 174.509 176.519 -0.091 0.000 1.253 359 W CA -0.912 56.324 57.345 -0.183 0.000 1.183 359 W CB 1.283 30.631 29.460 -0.186 0.000 1.424 359 W HN 0.860 nan 8.180 nan 0.000 0.566 360 A N 1.354 124.273 122.820 0.164 0.000 2.435 360 A HA 0.909 5.224 4.320 -0.009 0.000 0.304 360 A C -1.072 176.564 177.584 0.086 0.000 1.064 360 A CA -0.727 51.358 52.037 0.080 0.000 0.727 360 A CB 1.314 20.352 19.000 0.064 0.000 1.284 360 A HN 1.579 nan 8.150 nan 0.000 0.415 361 A N 1.844 124.673 122.820 0.014 0.000 2.316 361 A HA 0.533 4.848 4.320 -0.009 0.000 0.311 361 A C 0.713 178.287 177.584 -0.016 0.000 1.339 361 A CA -0.467 51.556 52.037 -0.024 0.000 0.960 361 A CB -0.440 18.507 19.000 -0.089 0.000 1.152 361 A HN 0.900 nan 8.150 nan 0.000 0.547 362 L N 2.541 123.764 121.223 0.000 0.000 2.353 362 L HA -0.180 4.155 4.340 -0.009 0.000 0.220 362 L C 2.756 179.666 176.870 0.067 0.000 1.133 362 L CA 1.512 56.390 54.840 0.063 0.000 0.798 362 L CB -0.367 41.753 42.059 0.102 0.000 0.922 362 L HN 0.907 nan 8.230 nan 0.000 0.445 363 S N -0.261 115.440 115.700 0.002 0.000 2.382 363 S HA -0.092 4.372 4.470 -0.009 0.000 0.228 363 S C 1.785 176.394 174.600 0.015 0.000 1.027 363 S CA 1.005 59.217 58.200 0.020 0.000 0.991 363 S CB -0.258 62.928 63.200 -0.023 0.000 0.823 363 S HN 0.548 nan 8.310 nan 0.000 0.469 364 G N 0.827 109.610 108.800 -0.027 0.000 2.175 364 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.244 364 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.244 364 G C -0.263 174.584 174.900 -0.088 0.000 0.982 364 G CA 0.198 45.271 45.100 -0.045 0.000 0.641 364 G HN 0.684 nan 8.290 nan 0.000 0.527 365 D N 1.098 121.442 120.400 -0.093 0.000 2.313 365 D HA 0.415 5.049 4.640 -0.009 0.000 0.239 365 D C -0.328 175.844 176.300 -0.213 0.000 1.142 365 D CA -1.837 52.102 54.000 -0.101 0.000 0.847 365 D CB 1.690 42.463 40.800 -0.045 0.000 1.082 365 D HN 0.139 nan 8.370 nan 0.000 0.480 366 P HA -0.135 nan 4.420 nan 0.000 0.223 366 P C 1.005 177.943 177.300 -0.603 0.000 1.144 366 P CA 0.548 63.288 63.100 -0.600 0.000 0.783 366 P CB 0.247 31.720 31.700 -0.378 0.000 0.771 367 A N 0.698 123.422 122.820 -0.161 0.000 1.940 367 A HA -0.204 4.111 4.320 -0.009 0.000 0.219 367 A C 2.023 179.601 177.584 -0.011 0.000 1.176 367 A CA 1.925 54.002 52.037 0.067 0.000 0.631 367 A CB -1.131 17.927 19.000 0.096 0.000 0.814 367 A HN 0.082 nan 8.150 nan 0.000 0.446 368 D N -0.023 120.320 120.400 -0.096 0.000 2.144 368 D HA -0.109 4.526 4.640 -0.009 0.000 0.200 368 D C 1.869 178.144 176.300 -0.041 0.000 0.978 368 D CA 0.915 54.877 54.000 -0.064 0.000 0.833 368 D CB -0.203 40.548 40.800 -0.081 0.000 0.961 368 D HN 0.351 nan 8.370 nan 0.000 0.470 369 I N 0.447 120.923 120.570 -0.158 0.000 2.252 369 I HA -0.234 3.931 4.170 -0.009 0.000 0.245 369 I C 2.141 178.316 176.117 0.097 0.000 1.102 369 I CA 0.959 62.238 61.300 -0.035 0.000 1.385 369 I CB -1.152 36.709 38.000 -0.232 0.000 1.064 369 I HN 0.036 nan 8.210 nan 0.000 0.414 370 Y N 0.705 121.088 120.300 0.139 0.000 2.224 370 Y HA -0.152 4.393 4.550 -0.009 0.000 0.289 370 Y C 2.731 178.682 175.900 0.085 0.000 1.146 370 Y CA 0.782 58.952 58.100 0.116 0.000 1.182 370 Y CB -0.905 37.608 38.460 0.087 0.000 0.983 370 Y HN 0.068 nan 8.280 nan 0.000 0.524 371 R N 0.660 121.280 120.500 0.199 0.000 2.075 371 R HA -0.115 4.220 4.340 -0.009 0.000 0.232 371 R C 2.249 178.603 176.300 0.091 0.000 1.126 371 R CA 1.948 58.114 56.100 0.111 0.000 0.963 371 R CB -1.226 29.107 30.300 0.055 0.000 0.858 371 R HN 0.539 nan 8.270 nan 0.000 0.435 372 T N -1.573 113.049 114.554 0.113 0.000 2.915 372 T HA -0.066 4.279 4.350 -0.009 0.000 0.269 372 T C 1.363 176.197 174.700 0.223 0.000 1.071 372 T CA 1.216 63.377 62.100 0.101 0.000 1.132 372 T CB -0.131 68.817 68.868 0.133 0.000 0.878 372 T HN 0.057 nan 8.240 nan 0.000 0.479 373 D N 1.958 122.520 120.400 0.270 0.000 2.117 373 D HA 0.084 4.719 4.640 -0.009 0.000 0.198 373 D C 2.461 178.847 176.300 0.142 0.000 0.982 373 D CA 1.446 55.597 54.000 0.251 0.000 0.828 373 D CB -0.577 40.366 40.800 0.237 0.000 0.967 373 D HN 0.570 nan 8.370 nan 0.000 0.464 374 A N 0.876 123.757 122.820 0.102 0.000 1.930 374 A HA -0.067 4.248 4.320 -0.009 0.000 0.217 374 A C 2.270 179.868 177.584 0.022 0.000 1.175 374 A CA 0.542 52.600 52.037 0.036 0.000 0.627 374 A CB -0.707 18.312 19.000 0.032 0.000 0.815 374 A HN 0.233 nan 8.150 nan 0.000 0.443 375 L N -0.416 120.829 121.223 0.038 0.000 2.012 375 L HA -0.218 4.117 4.340 -0.009 0.000 0.210 375 L C 2.522 179.412 176.870 0.035 0.000 1.073 375 L CA 1.658 56.502 54.840 0.006 0.000 0.748 375 L CB -0.385 41.660 42.059 -0.024 0.000 0.891 375 L HN 0.442 nan 8.230 nan 0.000 0.431 376 L N -0.161 121.142 121.223 0.134 0.000 2.021 376 L HA -0.332 4.003 4.340 -0.009 0.000 0.215 376 L C 2.638 179.652 176.870 0.239 0.000 1.074 376 L CA 1.821 56.834 54.840 0.288 0.000 0.760 376 L CB -0.480 41.803 42.059 0.372 0.000 0.889 376 L HN 0.270 nan 8.230 nan 0.000 0.433 377 K N -0.365 120.046 120.400 0.019 0.000 2.211 377 K HA -0.161 4.154 4.320 -0.009 0.000 0.203 377 K C 1.933 178.554 176.600 0.034 0.000 1.050 377 K CA 1.243 57.430 56.287 -0.167 0.000 0.945 377 K CB -0.069 32.166 32.500 -0.441 0.000 0.732 377 K HN 0.428 nan 8.250 nan 0.000 0.451 378 E N 0.821 121.016 120.200 -0.008 0.000 2.072 378 E HA -0.099 4.246 4.350 -0.009 0.000 0.190 378 E C 1.947 178.487 176.600 -0.100 0.000 0.982 378 E CA 0.805 57.185 56.400 -0.033 0.000 0.803 378 E CB -0.001 29.670 29.700 -0.050 0.000 0.755 378 E HN 0.203 nan 8.360 nan 0.000 0.453 379 L N -0.363 120.725 121.223 -0.226 0.000 2.156 379 L HA -0.015 4.320 4.340 -0.009 0.000 0.208 379 L C 0.583 176.989 176.870 -0.774 0.000 1.095 379 L CA 0.687 55.171 54.840 -0.593 0.000 0.770 379 L CB 0.088 41.587 42.059 -0.935 0.000 0.914 379 L HN 0.063 nan 8.230 nan 0.000 0.439 380 F N -0.335 119.696 119.950 0.135 0.000 2.542 380 F HA 0.297 4.819 4.527 -0.009 0.000 0.323 380 F C -1.498 174.442 175.800 0.233 0.000 1.411 380 F CA -1.660 56.432 58.000 0.154 0.000 1.124 380 F CB 0.176 39.275 39.000 0.164 0.000 1.331 380 F HN -0.158 nan 8.300 nan 0.000 0.560 381 P HA -0.127 nan 4.420 nan 0.000 0.221 381 P C 0.979 178.338 177.300 0.099 0.000 1.145 381 P CA 1.373 64.619 63.100 0.243 0.000 0.795 381 P CB 0.208 31.986 31.700 0.131 0.000 0.775 382 T N -1.407 113.186 114.554 0.067 0.000 3.086 382 T HA 0.051 4.396 4.350 -0.009 0.000 0.250 382 T C 0.860 175.525 174.700 -0.059 0.000 1.074 382 T CA 0.002 62.102 62.100 -0.001 0.000 0.988 382 T CB -0.546 68.345 68.868 0.040 0.000 0.988 382 T HN 0.030 nan 8.240 nan 0.000 0.530 383 N N 2.158 120.805 118.700 -0.089 0.000 2.719 383 N HA 0.174 4.909 4.740 -0.009 0.000 0.243 383 N C 0.931 176.285 175.510 -0.261 0.000 1.104 383 N CA -0.117 52.880 53.050 -0.089 0.000 0.981 383 N CB 0.447 38.959 38.487 0.041 0.000 1.290 383 N HN 0.215 nan 8.380 nan 0.000 0.513 384 K N 1.454 121.742 120.400 -0.186 0.000 2.044 384 K HA -0.175 4.140 4.320 -0.009 0.000 0.210 384 K C 1.723 178.317 176.600 -0.011 0.000 1.049 384 K CA 1.774 57.978 56.287 -0.137 0.000 0.927 384 K CB -0.085 32.385 32.500 -0.050 0.000 0.713 384 K HN 0.499 nan 8.250 nan 0.000 0.443 385 A N 1.928 124.765 122.820 0.030 0.000 1.908 385 A HA -0.183 4.132 4.320 -0.009 0.000 0.218 385 A C 2.100 179.792 177.584 0.180 0.000 1.181 385 A CA 1.219 53.315 52.037 0.099 0.000 0.627 385 A CB -0.632 18.413 19.000 0.075 0.000 0.818 385 A HN 0.235 nan 8.150 nan 0.000 0.445 386 L N -0.041 121.288 121.223 0.176 0.000 2.012 386 L HA -0.207 4.128 4.340 -0.009 0.000 0.210 386 L C 2.231 179.349 176.870 0.412 0.000 1.073 386 L CA 2.558 57.579 54.840 0.302 0.000 0.748 386 L CB -1.615 40.617 42.059 0.289 0.000 0.891 386 L HN 0.630 nan 8.230 nan 0.000 0.431 387 H N -1.086 118.081 119.070 0.162 0.000 2.389 387 H HA -0.125 4.426 4.556 -0.009 0.000 0.299 387 H C 2.328 177.703 175.328 0.078 0.000 1.081 387 H CA 0.846 56.966 56.048 0.120 0.000 1.345 387 H CB 0.294 30.114 29.762 0.096 0.000 1.393 387 H HN 0.317 nan 8.280 nan 0.000 0.520 388 R N 0.479 121.110 120.500 0.220 0.000 2.081 388 R HA -0.156 4.179 4.340 -0.009 0.000 0.235 388 R C 2.311 178.661 176.300 0.083 0.000 1.131 388 R CA 1.232 57.407 56.100 0.124 0.000 0.960 388 R CB -0.203 30.173 30.300 0.126 0.000 0.856 388 R HN 0.521 nan 8.270 nan 0.000 0.436 389 W N 0.939 122.243 121.300 0.007 0.000 2.381 389 W HA -0.189 4.467 4.660 -0.008 0.000 0.301 389 W C 1.672 178.165 176.519 -0.043 0.000 1.205 389 W CA 1.028 58.331 57.345 -0.070 0.000 1.285 389 W CB -0.262 29.180 29.460 -0.031 0.000 1.133 389 W HN 0.099 nan 8.180 nan 0.000 0.521 390 I N 1.296 121.747 120.570 -0.198 0.000 2.286 390 I HA -0.303 3.862 4.170 -0.009 0.000 0.248 390 I C 1.952 177.894 176.117 -0.291 0.000 1.115 390 I CA 1.999 63.142 61.300 -0.261 0.000 1.392 390 I CB -0.504 37.504 38.000 0.013 0.000 1.065 390 I HN -0.196 nan 8.210 nan 0.000 0.418 391 D N 0.257 120.540 120.400 -0.195 0.000 2.144 391 D HA -0.170 4.464 4.640 -0.009 0.000 0.200 391 D C 2.264 178.401 176.300 -0.271 0.000 0.978 391 D CA 1.308 55.202 54.000 -0.176 0.000 0.833 391 D CB -0.102 40.642 40.800 -0.092 0.000 0.961 391 D HN 0.390 nan 8.370 nan 0.000 0.470 392 M N 0.477 119.848 119.600 -0.381 0.000 2.099 392 M HA -0.116 4.358 4.480 -0.009 0.000 0.262 392 M C 2.355 178.313 176.300 -0.570 0.000 1.067 392 M CA 1.134 56.165 55.300 -0.449 0.000 1.124 392 M CB -0.187 32.096 32.600 -0.528 0.000 1.353 392 M HN -0.039 nan 8.290 nan 0.000 0.410 393 A N -0.158 122.146 122.820 -0.859 0.000 1.892 393 A HA -0.272 4.043 4.320 -0.009 0.000 0.218 393 A C 1.951 179.282 177.584 -0.422 0.000 1.188 393 A CA 1.957 53.548 52.037 -0.744 0.000 0.631 393 A CB -0.934 17.561 19.000 -0.841 0.000 0.822 393 A HN 0.569 nan 8.150 nan 0.000 0.447 394 Q N -1.272 118.338 119.800 -0.316 0.000 2.170 394 Q HA -0.203 4.132 4.340 -0.009 0.000 0.203 394 Q C 2.130 178.001 176.000 -0.214 0.000 0.976 394 Q CA 1.702 57.394 55.803 -0.185 0.000 0.858 394 Q CB -0.049 28.628 28.738 -0.101 0.000 0.907 394 Q HN 0.865 nan 8.270 nan 0.000 0.433 395 E N -0.022 120.035 120.200 -0.239 0.000 2.122 395 E HA -0.108 4.237 4.350 -0.009 0.000 0.190 395 E C 1.150 177.608 176.600 -0.236 0.000 0.977 395 E CA 0.681 56.954 56.400 -0.212 0.000 0.820 395 E CB 0.316 29.905 29.700 -0.186 0.000 0.770 395 E HN 0.128 nan 8.360 nan 0.000 0.462 396 K N 0.017 120.247 120.400 -0.284 0.000 2.354 396 K HA 0.173 4.488 4.320 -0.009 0.000 0.194 396 K C -0.244 176.140 176.600 -0.359 0.000 1.038 396 K CA -0.099 56.011 56.287 -0.294 0.000 1.052 396 K CB 1.765 34.100 32.500 -0.275 0.000 0.861 396 K HN -0.058 nan 8.250 nan 0.000 0.535 397 V N 2.142 121.831 119.914 -0.374 0.000 2.407 397 V HA 0.149 4.263 4.120 -0.009 0.000 0.278 397 V C -0.021 175.807 176.094 -0.444 0.000 1.037 397 V CA -0.454 61.610 62.300 -0.394 0.000 0.900 397 V CB 1.526 33.167 31.823 -0.302 0.000 0.983 397 V HN 0.050 nan 8.190 nan 0.000 0.459 398 T N 5.986 120.325 114.554 -0.358 0.000 2.749 398 T HA 0.529 4.874 4.350 -0.009 0.000 0.287 398 T C -0.139 174.472 174.700 -0.148 0.000 0.970 398 T CA -0.180 61.749 62.100 -0.285 0.000 0.980 398 T CB 0.237 69.016 68.868 -0.149 0.000 0.924 398 T HN 0.272 nan 8.240 nan 0.000 0.456 399 F N 2.462 122.417 119.950 0.008 0.000 2.589 399 F HA 0.172 4.694 4.527 -0.009 0.000 0.352 399 F C 1.269 177.091 175.800 0.038 0.000 1.168 399 F CA -0.119 57.888 58.000 0.011 0.000 1.353 399 F CB 0.219 39.210 39.000 -0.014 0.000 1.116 399 F HN 0.401 nan 8.300 nan 0.000 0.608 400 Q N 0.786 120.742 119.800 0.260 0.000 2.304 400 Q HA 0.507 4.842 4.340 -0.009 0.000 0.270 400 Q C 0.499 176.577 176.000 0.130 0.000 1.035 400 Q CA -0.283 55.620 55.803 0.166 0.000 0.781 400 Q CB 2.240 31.059 28.738 0.135 0.000 1.261 400 Q HN 0.940 nan 8.270 nan 0.000 0.444 401 G N 1.872 110.739 108.800 0.112 0.000 2.596 401 G HA2 -0.325 3.630 3.960 -0.009 0.000 0.295 401 G HA3 -0.325 3.630 3.960 -0.009 0.000 0.295 401 G C -0.234 174.697 174.900 0.052 0.000 1.240 401 G CA -0.471 44.682 45.100 0.089 0.000 0.985 401 G HN 0.549 nan 8.290 nan 0.000 0.555 402 L N 2.336 123.582 121.223 0.038 0.000 2.499 402 L HA 0.242 4.576 4.340 -0.009 0.000 0.273 402 L C -1.719 175.089 176.870 -0.103 0.000 1.195 402 L CA -1.252 53.577 54.840 -0.017 0.000 0.882 402 L CB 0.467 42.539 42.059 0.021 0.000 1.133 402 L HN 0.256 nan 8.230 nan 0.000 0.483 403 P HA 0.036 nan 4.420 nan 0.000 0.262 403 P C -0.862 176.204 177.300 -0.390 0.000 1.182 403 P CA 0.482 63.167 63.100 -0.691 0.000 0.761 403 P CB 0.778 31.856 31.700 -1.037 0.000 0.795 404 S N 2.240 117.806 115.700 -0.223 0.000 2.685 404 S HA 0.797 5.262 4.470 -0.009 0.000 0.282 404 S C -0.879 173.683 174.600 -0.064 0.000 1.159 404 S CA -0.723 57.412 58.200 -0.108 0.000 0.833 404 S CB 2.041 65.200 63.200 -0.068 0.000 1.151 404 S HN 0.319 nan 8.310 nan 0.000 0.485 405 R N 0.815 121.099 120.500 -0.360 0.000 2.564 405 R HA 0.663 4.998 4.340 -0.009 0.000 0.284 405 R C -2.069 173.898 176.300 -0.555 0.000 1.031 405 R CA -0.557 55.281 56.100 -0.437 0.000 0.904 405 R CB 0.885 30.817 30.300 -0.614 0.000 1.199 405 R HN 0.627 nan 8.270 nan 0.000 0.443 406 I N 4.182 124.657 120.570 -0.159 0.000 2.336 406 I HA 0.542 4.707 4.170 -0.009 0.000 0.292 406 I C -1.325 174.907 176.117 0.192 0.000 0.991 406 I CA -0.473 60.824 61.300 -0.005 0.000 1.227 406 I CB 1.229 39.343 38.000 0.190 0.000 1.366 406 I HN 0.719 nan 8.210 nan 0.000 0.466 407 C N 8.398 127.787 119.300 0.149 0.000 2.982 407 C HA 0.369 4.824 4.460 -0.009 0.000 0.372 407 C C -1.360 173.883 174.990 0.422 0.000 1.061 407 C CA -0.685 58.541 59.018 0.346 0.000 1.309 407 C CB -0.526 27.427 27.740 0.355 0.000 1.766 407 C HN 0.775 nan 8.230 nan 0.000 0.504 408 W N 6.283 127.591 121.300 0.014 0.000 2.692 408 W HA 0.449 5.104 4.660 -0.008 0.000 0.339 408 W C 0.133 176.667 176.519 0.025 0.000 1.415 408 W CA 0.130 57.495 57.345 0.032 0.000 1.389 408 W CB 0.098 29.514 29.460 -0.073 0.000 1.492 408 W HN 0.505 nan 8.180 nan 0.000 0.545 409 L N 3.410 124.716 121.223 0.137 0.000 2.342 409 L HA 0.778 5.112 4.340 -0.009 0.000 0.271 409 L C 1.004 177.787 176.870 -0.145 0.000 1.008 409 L CA -0.915 53.884 54.840 -0.069 0.000 0.818 409 L CB 1.501 43.450 42.059 -0.183 0.000 1.296 409 L HN 0.446 nan 8.230 nan 0.000 0.427 410 G N -0.328 108.393 108.800 -0.131 0.000 2.583 410 G HA2 0.212 4.167 3.960 -0.009 0.000 0.280 410 G HA3 0.212 4.167 3.960 -0.009 0.000 0.280 410 G C -1.310 173.540 174.900 -0.084 0.000 1.376 410 G CA -0.387 44.673 45.100 -0.067 0.000 1.043 410 G HN 0.468 nan 8.290 nan 0.000 0.538 411 Y N 0.240 120.482 120.300 -0.096 0.000 2.712 411 Y HA 0.316 4.861 4.550 -0.008 0.000 0.333 411 Y C 1.472 177.339 175.900 -0.054 0.000 1.225 411 Y CA 1.793 59.846 58.100 -0.078 0.000 1.499 411 Y CB 0.676 39.108 38.460 -0.047 0.000 1.288 411 Y HN 1.161 nan 8.280 nan 0.000 0.575 412 G N 3.940 112.326 108.800 -0.691 0.000 3.206 412 G HA2 -0.369 3.585 3.960 -0.009 0.000 0.217 412 G HA3 -0.369 3.585 3.960 -0.009 0.000 0.217 412 G C 1.226 176.040 174.900 -0.144 0.000 1.350 412 G CA 0.528 45.413 45.100 -0.359 0.000 0.836 412 G HN 0.632 nan 8.290 nan 0.000 0.548 413 E N 0.843 120.997 120.200 -0.078 0.000 2.160 413 E HA -0.111 4.233 4.350 -0.009 0.000 0.195 413 E C 2.654 179.224 176.600 -0.049 0.000 0.991 413 E CA 1.184 57.593 56.400 0.014 0.000 0.810 413 E CB -0.145 29.365 29.700 -0.316 0.000 0.742 413 E HN 0.620 nan 8.360 nan 0.000 0.466 414 R N 0.978 121.293 120.500 -0.308 0.000 2.066 414 R HA -0.103 4.232 4.340 -0.009 0.000 0.232 414 R C 2.451 178.629 176.300 -0.204 0.000 1.131 414 R CA 1.207 56.993 56.100 -0.523 0.000 0.955 414 R CB -0.278 29.554 30.300 -0.779 0.000 0.851 414 R HN 0.035 nan 8.270 nan 0.000 0.432 415 K N 1.582 121.868 120.400 -0.189 0.000 2.009 415 K HA -0.220 4.095 4.320 -0.009 0.000 0.210 415 K C 2.155 178.726 176.600 -0.048 0.000 1.049 415 K CA 1.687 57.908 56.287 -0.110 0.000 0.929 415 K CB -0.058 32.347 32.500 -0.158 0.000 0.714 415 K HN -0.032 nan 8.250 nan 0.000 0.440 416 K N 0.116 120.503 120.400 -0.021 0.000 2.063 416 K HA -0.214 4.101 4.320 -0.009 0.000 0.208 416 K C 2.206 178.807 176.600 0.002 0.000 1.048 416 K CA 1.810 58.097 56.287 -0.001 0.000 0.928 416 K CB -0.129 32.398 32.500 0.045 0.000 0.713 416 K HN 0.124 nan 8.250 nan 0.000 0.442 417 M N 0.222 119.873 119.600 0.086 0.000 2.156 417 M HA 0.025 4.500 4.480 -0.009 0.000 0.264 417 M C 1.861 178.143 176.300 -0.030 0.000 1.067 417 M CA 1.953 57.288 55.300 0.059 0.000 1.131 417 M CB -0.719 31.994 32.600 0.189 0.000 1.368 417 M HN 0.184 nan 8.290 nan 0.000 0.416 418 G N 0.362 109.181 108.800 0.032 0.000 2.440 418 G HA2 -0.167 3.788 3.960 -0.009 0.000 0.218 418 G HA3 -0.167 3.788 3.960 -0.009 0.000 0.218 418 G C 1.504 176.378 174.900 -0.044 0.000 1.154 418 G CA 1.222 46.328 45.100 0.010 0.000 0.767 418 G HN 0.507 nan 8.290 nan 0.000 0.552 419 L N 0.477 121.676 121.223 -0.040 0.000 2.093 419 L HA 0.004 4.339 4.340 -0.009 0.000 0.208 419 L C 3.394 180.223 176.870 -0.068 0.000 1.085 419 L CA 0.903 55.713 54.840 -0.049 0.000 0.755 419 L CB -0.480 41.553 42.059 -0.043 0.000 0.904 419 L HN 0.311 nan 8.230 nan 0.000 0.435 420 A N 0.510 123.281 122.820 -0.082 0.000 1.902 420 A HA -0.162 4.153 4.320 -0.009 0.000 0.217 420 A C 2.228 179.743 177.584 -0.114 0.000 1.181 420 A CA 1.360 53.339 52.037 -0.097 0.000 0.623 420 A CB -0.589 18.344 19.000 -0.111 0.000 0.818 420 A HN 0.318 nan 8.150 nan 0.000 0.443 421 I N -0.307 120.173 120.570 -0.149 0.000 2.226 421 I HA -0.271 3.894 4.170 -0.009 0.000 0.245 421 I C 2.397 178.429 176.117 -0.141 0.000 1.100 421 I CA 1.774 62.961 61.300 -0.188 0.000 1.374 421 I CB -0.418 37.415 38.000 -0.278 0.000 1.057 421 I HN 0.406 nan 8.210 nan 0.000 0.413 422 N N 0.607 119.239 118.700 -0.112 0.000 2.223 422 N HA -0.222 4.512 4.740 -0.009 0.000 0.185 422 N C 1.853 177.316 175.510 -0.080 0.000 1.016 422 N CA 1.094 54.089 53.050 -0.091 0.000 0.863 422 N CB 0.006 38.453 38.487 -0.065 0.000 0.983 422 N HN 0.148 nan 8.380 nan 0.000 0.429 423 E N 0.363 120.519 120.200 -0.074 0.000 2.106 423 E HA -0.082 4.263 4.350 -0.009 0.000 0.192 423 E C 1.863 178.425 176.600 -0.063 0.000 0.984 423 E CA 0.676 57.039 56.400 -0.061 0.000 0.806 423 E CB -0.165 29.500 29.700 -0.058 0.000 0.750 423 E HN 0.454 nan 8.360 nan 0.000 0.458 424 L N -0.112 121.065 121.223 -0.077 0.000 2.217 424 L HA -0.098 4.237 4.340 -0.009 0.000 0.211 424 L C 2.437 179.261 176.870 -0.078 0.000 1.107 424 L CA 0.331 55.128 54.840 -0.072 0.000 0.783 424 L CB -0.185 41.827 42.059 -0.079 0.000 0.919 424 L HN -0.019 nan 8.230 nan 0.000 0.442 425 V N -0.044 119.812 119.914 -0.097 0.000 2.453 425 V HA -0.231 3.884 4.120 -0.009 0.000 0.247 425 V C 2.642 178.682 176.094 -0.090 0.000 1.048 425 V CA 1.641 63.872 62.300 -0.116 0.000 1.049 425 V CB -0.564 31.168 31.823 -0.153 0.000 0.672 425 V HN 0.452 nan 8.190 nan 0.000 0.457 426 R N 0.797 121.255 120.500 -0.070 0.000 2.075 426 R HA -0.156 4.179 4.340 -0.009 0.000 0.232 426 R C 2.361 178.641 176.300 -0.033 0.000 1.126 426 R CA 2.027 58.099 56.100 -0.046 0.000 0.963 426 R CB -0.407 29.872 30.300 -0.036 0.000 0.858 426 R HN 0.660 nan 8.270 nan 0.000 0.435 427 T N -3.703 110.830 114.554 -0.035 0.000 3.067 427 T HA 0.176 4.521 4.350 -0.009 0.000 0.261 427 T C 1.371 176.057 174.700 -0.023 0.000 1.110 427 T CA 0.728 62.813 62.100 -0.025 0.000 1.113 427 T CB 0.445 69.297 68.868 -0.026 0.000 0.917 427 T HN 0.479 nan 8.240 nan 0.000 0.499 428 G N 1.084 109.864 108.800 -0.033 0.000 2.176 428 G HA2 -0.247 3.708 3.960 -0.009 0.000 0.232 428 G HA3 -0.247 3.708 3.960 -0.009 0.000 0.232 428 G C 0.710 175.594 174.900 -0.027 0.000 0.986 428 G CA 0.290 45.373 45.100 -0.028 0.000 0.643 428 G HN 0.525 nan 8.290 nan 0.000 0.522 429 E N -0.431 119.751 120.200 -0.030 0.000 2.204 429 E HA 0.038 4.383 4.350 -0.009 0.000 0.195 429 E C 0.958 177.541 176.600 -0.029 0.000 0.990 429 E CA 0.540 56.926 56.400 -0.023 0.000 0.821 429 E CB 0.086 29.771 29.700 -0.025 0.000 0.750 429 E HN 0.514 nan 8.360 nan 0.000 0.477 430 L N 1.216 122.409 121.223 -0.050 0.000 2.282 430 L HA 0.178 4.512 4.340 -0.009 0.000 0.288 430 L C 1.066 177.895 176.870 -0.069 0.000 1.033 430 L CA -0.301 54.500 54.840 -0.064 0.000 0.807 430 L CB 1.383 43.385 42.059 -0.095 0.000 1.209 430 L HN -0.149 nan 8.230 nan 0.000 0.423 431 K N 2.349 122.715 120.400 -0.055 0.000 2.362 431 K HA 0.092 4.406 4.320 -0.009 0.000 0.200 431 K C 0.411 176.970 176.600 -0.069 0.000 1.046 431 K CA 0.622 56.883 56.287 -0.043 0.000 0.952 431 K CB 0.138 32.627 32.500 -0.018 0.000 0.753 431 K HN 0.682 nan 8.250 nan 0.000 0.466 432 A N 0.552 123.287 122.820 -0.141 0.000 2.564 432 A HA 0.470 4.785 4.320 -0.009 0.000 0.291 432 A C -2.931 174.415 177.584 -0.397 0.000 1.102 432 A CA -1.447 50.420 52.037 -0.283 0.000 0.660 432 A CB 0.881 19.758 19.000 -0.206 0.000 1.283 432 A HN -0.218 nan 8.150 nan 0.000 0.430 433 P HA 0.364 nan 4.420 nan 0.000 0.270 433 P C -0.599 176.530 177.300 -0.285 0.000 1.223 433 P CA -0.046 62.741 63.100 -0.522 0.000 0.785 433 P CB 0.730 31.979 31.700 -0.752 0.000 0.923 434 V N 0.588 120.400 119.914 -0.171 0.000 2.656 434 V HA 0.602 4.717 4.120 -0.009 0.000 0.307 434 V C -0.359 175.721 176.094 -0.024 0.000 1.051 434 V CA -1.168 61.089 62.300 -0.073 0.000 0.893 434 V CB 1.762 33.541 31.823 -0.072 0.000 0.999 434 V HN 0.387 nan 8.190 nan 0.000 0.426 435 V N 3.926 123.864 119.914 0.040 0.000 2.461 435 V HA 0.631 4.746 4.120 -0.009 0.000 0.275 435 V C -0.002 176.093 176.094 0.001 0.000 1.047 435 V CA -0.256 62.063 62.300 0.032 0.000 0.955 435 V CB 0.616 32.508 31.823 0.115 0.000 0.988 435 V HN 0.794 nan 8.190 nan 0.000 0.471 436 I N 5.438 125.959 120.570 -0.081 0.000 2.339 436 I HA 0.813 4.978 4.170 -0.009 0.000 0.290 436 I C 0.828 176.818 176.117 -0.211 0.000 0.994 436 I CA 0.151 61.370 61.300 -0.136 0.000 1.191 436 I CB 1.354 39.291 38.000 -0.104 0.000 1.343 436 I HN 0.969 nan 8.210 nan 0.000 0.458 437 G N 5.556 114.204 108.800 -0.255 0.000 2.871 437 G HA2 0.846 4.801 3.960 -0.009 0.000 0.282 437 G HA3 0.846 4.801 3.960 -0.009 0.000 0.282 437 G C -1.307 173.492 174.900 -0.169 0.000 1.212 437 G CA -0.657 44.324 45.100 -0.199 0.000 0.812 437 G HN 0.688 nan 8.290 nan 0.000 0.547 438 R N -1.111 119.344 120.500 -0.075 0.000 2.829 438 R HA 0.434 4.769 4.340 -0.009 0.000 0.284 438 R C -2.011 174.305 176.300 0.027 0.000 1.006 438 R CA -0.772 55.307 56.100 -0.035 0.000 0.844 438 R CB 0.578 30.881 30.300 0.004 0.000 1.309 438 R HN 0.544 nan 8.270 nan 0.000 0.494 439 D N -0.713 119.702 120.400 0.024 0.000 2.383 439 D HA 0.198 4.833 4.640 -0.009 0.000 0.248 439 D C 0.473 176.861 176.300 0.147 0.000 1.170 439 D CA -0.324 53.723 54.000 0.079 0.000 0.977 439 D CB 0.686 41.514 40.800 0.047 0.000 1.120 439 D HN 0.613 nan 8.370 nan 0.000 0.481 440 H N -0.058 118.981 119.070 -0.053 0.000 2.529 440 H HA 0.065 4.616 4.556 -0.009 0.000 0.277 440 H C 0.494 175.761 175.328 -0.103 0.000 0.999 440 H CA -0.246 55.760 56.048 -0.071 0.000 1.256 440 H CB 0.379 30.115 29.762 -0.043 0.000 1.402 440 H HN 0.155 nan 8.280 nan 0.000 0.566 441 L N 2.361 123.604 121.223 0.034 0.000 2.385 441 L HA 0.110 4.445 4.340 -0.009 0.000 0.281 441 L C -0.748 176.083 176.870 -0.065 0.000 1.106 441 L CA 0.013 54.859 54.840 0.010 0.000 0.856 441 L CB 0.239 42.372 42.059 0.123 0.000 1.186 441 L HN 0.090 nan 8.230 nan 0.000 0.453 442 D N 1.785 122.037 120.400 -0.247 0.000 2.677 442 D HA 0.162 4.797 4.640 -0.009 0.000 0.298 442 D C 0.707 176.492 176.300 -0.858 0.000 1.250 442 D CA -0.066 53.686 54.000 -0.414 0.000 0.888 442 D CB 1.308 41.966 40.800 -0.237 0.000 1.397 442 D HN 0.585 nan 8.370 nan 0.000 0.461 443 C N -0.315 118.511 119.300 -0.789 0.000 2.422 443 C HA 0.367 4.822 4.460 -0.009 0.000 0.279 443 C C 1.636 176.410 174.990 -0.359 0.000 1.305 443 C CA 0.940 59.490 59.018 -0.780 0.000 1.757 443 C CB -1.160 26.396 27.740 -0.306 0.000 1.962 443 C HN 0.556 nan 8.230 nan 0.000 0.499 444 G N -0.084 108.580 108.800 -0.227 0.000 4.299 444 G HA2 0.368 4.323 3.960 -0.009 0.000 0.290 444 G HA3 0.368 4.323 3.960 -0.009 0.000 0.290 444 G C 0.781 175.653 174.900 -0.047 0.000 1.019 444 G CA 0.763 45.801 45.100 -0.103 0.000 0.790 444 G HN 0.705 nan 8.290 nan 0.000 0.452 445 S N -1.146 114.499 115.700 -0.092 0.000 2.578 445 S HA 0.516 4.980 4.470 -0.009 0.000 0.231 445 S C 0.045 174.653 174.600 0.013 0.000 0.994 445 S CA -0.240 57.939 58.200 -0.035 0.000 0.956 445 S CB 1.066 64.214 63.200 -0.087 0.000 0.870 445 S HN 0.614 nan 8.310 nan 0.000 0.494 446 V N 0.360 120.275 119.914 0.003 0.000 3.048 446 V HA 0.832 4.947 4.120 -0.009 0.000 0.303 446 V C -1.749 174.384 176.094 0.065 0.000 1.214 446 V CA -0.410 61.930 62.300 0.067 0.000 0.984 446 V CB 1.819 33.672 31.823 0.049 0.000 1.054 446 V HN 0.512 nan 8.190 nan 0.000 0.430 447 A N 3.622 126.513 122.820 0.119 0.000 2.330 447 A HA 0.896 5.211 4.320 -0.009 0.000 0.313 447 A C -0.365 177.295 177.584 0.126 0.000 1.124 447 A CA 0.013 52.119 52.037 0.115 0.000 0.774 447 A CB 1.697 20.786 19.000 0.150 0.000 1.198 447 A HN 1.574 nan 8.150 nan 0.000 0.465 448 S N 3.786 119.549 115.700 0.104 0.000 2.357 448 S HA 0.444 4.909 4.470 -0.009 0.000 0.209 448 S C -2.518 172.148 174.600 0.109 0.000 0.981 448 S CA -0.620 57.656 58.200 0.126 0.000 1.106 448 S CB 0.844 64.113 63.200 0.114 0.000 1.266 448 S HN 0.301 nan 8.310 nan 0.000 0.410 449 P HA -0.082 nan 4.420 nan 0.000 0.217 449 P C 0.710 178.061 177.300 0.086 0.000 1.148 449 P CA 1.177 64.330 63.100 0.088 0.000 0.834 449 P CB 0.095 31.849 31.700 0.091 0.000 0.783 450 N N -2.022 116.761 118.700 0.138 0.000 2.270 450 N HA 0.094 4.828 4.740 -0.009 0.000 0.198 450 N C 1.131 176.711 175.510 0.118 0.000 1.117 450 N CA 0.228 53.365 53.050 0.145 0.000 0.845 450 N CB 0.417 38.998 38.487 0.157 0.000 0.980 450 N HN 0.178 nan 8.380 nan 0.000 0.486 451 R N -0.041 120.505 120.500 0.077 0.000 3.040 451 R HA 0.153 4.488 4.340 -0.009 0.000 0.097 451 R C 0.528 176.797 176.300 -0.052 0.000 0.899 451 R CA -0.136 55.977 56.100 0.020 0.000 0.710 451 R CB 0.044 30.383 30.300 0.065 0.000 0.643 451 R HN -0.221 nan 8.270 nan 0.000 0.353 452 E N 0.421 120.615 120.200 -0.011 0.000 2.130 452 E HA -0.142 4.203 4.350 -0.009 0.000 0.196 452 E C 0.896 177.529 176.600 0.054 0.000 0.998 452 E CA 2.184 58.608 56.400 0.040 0.000 0.806 452 E CB 0.005 29.735 29.700 0.050 0.000 0.738 452 E HN 0.544 nan 8.360 nan 0.000 0.459 453 T N -2.064 112.510 114.554 0.033 0.000 3.248 453 T HA 0.167 4.511 4.350 -0.009 0.000 0.271 453 T C 0.158 174.875 174.700 0.029 0.000 1.005 453 T CA -0.488 61.627 62.100 0.025 0.000 0.902 453 T CB -0.034 68.841 68.868 0.012 0.000 1.102 453 T HN 0.010 nan 8.240 nan 0.000 0.548 454 E N 1.713 121.926 120.200 0.021 0.000 2.366 454 E HA 0.382 4.727 4.350 -0.009 0.000 0.266 454 E C 0.571 177.182 176.600 0.018 0.000 1.015 454 E CA 0.234 56.644 56.400 0.017 0.000 0.906 454 E CB 0.056 29.766 29.700 0.016 0.000 0.979 454 E HN 0.585 nan 8.360 nan 0.000 0.443 455 A N 5.356 128.183 122.820 0.011 0.000 2.610 455 A HA -0.180 4.135 4.320 -0.009 0.000 0.299 455 A C 0.195 177.817 177.584 0.064 0.000 1.487 455 A CA 0.659 52.708 52.037 0.020 0.000 0.743 455 A CB -1.328 17.680 19.000 0.012 0.000 1.070 455 A HN 0.579 nan 8.150 nan 0.000 0.439 456 M N 0.395 120.039 119.600 0.072 0.000 2.245 456 M HA 0.069 4.543 4.480 -0.009 0.000 0.344 456 M C 1.745 178.089 176.300 0.073 0.000 1.170 456 M CA 0.847 56.232 55.300 0.141 0.000 1.135 456 M CB 0.327 32.978 32.600 0.085 0.000 1.574 456 M HN 0.661 nan 8.290 nan 0.000 0.452 457 K N 1.410 121.826 120.400 0.026 0.000 2.160 457 K HA -0.204 4.110 4.320 -0.009 0.000 0.206 457 K C 0.630 177.167 176.600 -0.105 0.000 1.047 457 K CA 2.028 58.240 56.287 -0.126 0.000 0.930 457 K CB -0.274 31.998 32.500 -0.381 0.000 0.720 457 K HN 0.660 nan 8.250 nan 0.000 0.450 458 D N -0.531 119.816 120.400 -0.089 0.000 2.349 458 D HA 0.084 4.719 4.640 -0.009 0.000 0.214 458 D C 1.045 177.332 176.300 -0.021 0.000 1.063 458 D CA 0.428 54.394 54.000 -0.057 0.000 0.847 458 D CB 0.221 40.990 40.800 -0.053 0.000 0.933 458 D HN 0.423 nan 8.370 nan 0.000 0.513 459 G N 0.859 109.653 108.800 -0.010 0.000 2.160 459 G HA2 -0.329 3.626 3.960 -0.009 0.000 0.251 459 G HA3 -0.329 3.626 3.960 -0.009 0.000 0.251 459 G C 0.809 175.717 174.900 0.014 0.000 1.008 459 G CA 0.673 45.772 45.100 -0.001 0.000 0.724 459 G HN 0.675 nan 8.290 nan 0.000 0.514 460 S N -0.357 115.359 115.700 0.027 0.000 2.754 460 S HA 0.216 4.681 4.470 -0.009 0.000 0.223 460 S C 1.427 176.060 174.600 0.056 0.000 0.951 460 S CA 0.807 59.040 58.200 0.055 0.000 0.954 460 S CB 0.205 63.456 63.200 0.085 0.000 0.780 460 S HN 0.311 nan 8.310 nan 0.000 0.509 461 D N 3.505 123.926 120.400 0.035 0.000 2.192 461 D HA -0.206 4.428 4.640 -0.009 0.000 0.189 461 D C 1.901 178.234 176.300 0.055 0.000 1.007 461 D CA 2.125 56.147 54.000 0.036 0.000 0.859 461 D CB -0.556 40.257 40.800 0.021 0.000 0.936 461 D HN 0.670 nan 8.370 nan 0.000 0.447 462 A N 0.114 122.965 122.820 0.053 0.000 2.238 462 A HA 0.145 4.460 4.320 -0.009 0.000 0.208 462 A C 0.739 178.371 177.584 0.079 0.000 1.177 462 A CA -0.089 51.983 52.037 0.058 0.000 0.804 462 A CB 0.091 19.109 19.000 0.031 0.000 0.823 462 A HN 0.083 nan 8.150 nan 0.000 0.482 463 V N 0.664 120.644 119.914 0.110 0.000 2.485 463 V HA 0.246 4.360 4.120 -0.009 0.000 0.287 463 V C 1.555 177.758 176.094 0.181 0.000 1.022 463 V CA 0.884 63.269 62.300 0.142 0.000 1.067 463 V CB 0.796 32.755 31.823 0.228 0.000 0.967 463 V HN 0.409 nan 8.190 nan 0.000 0.479 464 G N 2.317 111.189 108.800 0.121 0.000 3.126 464 G HA2 -0.002 3.953 3.960 -0.009 0.000 0.224 464 G HA3 -0.002 3.953 3.960 -0.009 0.000 0.224 464 G C 0.826 175.793 174.900 0.112 0.000 1.142 464 G CA -0.083 45.105 45.100 0.147 0.000 0.759 464 G HN 0.697 nan 8.290 nan 0.000 0.550 465 D N 1.266 121.656 120.400 -0.018 0.000 2.123 465 D HA -0.150 4.484 4.640 -0.009 0.000 0.196 465 D C 1.889 178.103 176.300 -0.144 0.000 0.992 465 D CA 0.918 54.810 54.000 -0.181 0.000 0.833 465 D CB -0.158 40.383 40.800 -0.431 0.000 0.954 465 D HN 0.567 nan 8.370 nan 0.000 0.455 466 W N 1.843 123.153 121.300 0.016 0.000 2.358 466 W HA -0.054 4.602 4.660 -0.006 0.000 0.303 466 W C 2.777 179.319 176.519 0.038 0.000 1.208 466 W CA 0.908 58.259 57.345 0.010 0.000 1.274 466 W CB -0.767 28.684 29.460 -0.015 0.000 1.138 466 W HN -0.069 nan 8.180 nan 0.000 0.515 467 A N 0.366 123.368 122.820 0.302 0.000 1.908 467 A HA -0.184 4.131 4.320 -0.009 0.000 0.218 467 A C 2.053 179.826 177.584 0.314 0.000 1.181 467 A CA 2.387 54.581 52.037 0.261 0.000 0.627 467 A CB -1.160 17.991 19.000 0.252 0.000 0.818 467 A HN 0.126 nan 8.150 nan 0.000 0.445 468 V N -0.016 120.055 119.914 0.261 0.000 2.358 468 V HA -0.239 3.875 4.120 -0.009 0.000 0.246 468 V C 2.533 178.632 176.094 0.009 0.000 1.047 468 V CA 1.860 64.194 62.300 0.057 0.000 1.035 468 V CB -0.742 31.005 31.823 -0.127 0.000 0.658 468 V HN 0.566 nan 8.190 nan 0.000 0.452 469 L N 0.485 121.720 121.223 0.019 0.000 2.131 469 L HA -0.184 4.151 4.340 -0.009 0.000 0.210 469 L C 2.576 179.479 176.870 0.055 0.000 1.092 469 L CA 1.634 56.480 54.840 0.009 0.000 0.759 469 L CB -0.753 41.303 42.059 -0.006 0.000 0.903 469 L HN 0.482 nan 8.230 nan 0.000 0.435 470 N N 0.735 119.495 118.700 0.100 0.000 2.069 470 N HA -0.215 4.519 4.740 -0.009 0.000 0.191 470 N C 1.821 177.363 175.510 0.054 0.000 1.031 470 N CA 1.819 54.918 53.050 0.081 0.000 0.852 470 N CB 0.119 38.652 38.487 0.078 0.000 1.018 470 N HN 0.321 nan 8.380 nan 0.000 0.423 471 A N 1.028 123.892 122.820 0.073 0.000 1.898 471 A HA -0.056 4.259 4.320 -0.009 0.000 0.216 471 A C 2.235 179.835 177.584 0.026 0.000 1.181 471 A CA 0.744 52.817 52.037 0.061 0.000 0.620 471 A CB -0.562 18.518 19.000 0.133 0.000 0.819 471 A HN 0.282 nan 8.150 nan 0.000 0.442 472 L N -0.144 121.081 121.223 0.002 0.000 2.017 472 L HA -0.129 4.205 4.340 -0.009 0.000 0.208 472 L C 2.629 179.501 176.870 0.003 0.000 1.073 472 L CA 1.690 56.522 54.840 -0.014 0.000 0.745 472 L CB -0.913 41.122 42.059 -0.041 0.000 0.894 472 L HN 0.248 nan 8.230 nan 0.000 0.432 473 V N -0.419 119.503 119.914 0.013 0.000 2.427 473 V HA -0.195 3.920 4.120 -0.009 0.000 0.248 473 V C 2.140 178.248 176.094 0.024 0.000 1.051 473 V CA 1.367 63.679 62.300 0.020 0.000 1.048 473 V CB -0.768 31.074 31.823 0.033 0.000 0.666 473 V HN 0.448 nan 8.190 nan 0.000 0.456 474 N N 0.211 118.926 118.700 0.025 0.000 2.396 474 N HA -0.094 4.640 4.740 -0.009 0.000 0.180 474 N C 1.870 177.397 175.510 0.028 0.000 1.028 474 N CA 1.589 54.652 53.050 0.022 0.000 0.893 474 N CB -0.288 38.205 38.487 0.011 0.000 0.967 474 N HN 0.463 nan 8.380 nan 0.000 0.440 475 T N 0.474 115.047 114.554 0.032 0.000 2.896 475 T HA 0.061 4.406 4.350 -0.009 0.000 0.263 475 T C 1.965 176.690 174.700 0.041 0.000 1.050 475 T CA 1.058 63.185 62.100 0.045 0.000 1.140 475 T CB -0.120 68.774 68.868 0.044 0.000 0.877 475 T HN 0.282 nan 8.240 nan 0.000 0.457 476 A N 1.411 124.248 122.820 0.027 0.000 1.930 476 A HA 0.261 4.575 4.320 -0.009 0.000 0.217 476 A C 2.554 180.150 177.584 0.019 0.000 1.175 476 A CA 1.574 53.622 52.037 0.019 0.000 0.627 476 A CB -0.902 18.103 19.000 0.008 0.000 0.815 476 A HN 0.480 nan 8.150 nan 0.000 0.443 477 A N -1.737 121.097 122.820 0.022 0.000 2.067 477 A HA 0.359 4.674 4.320 -0.009 0.000 0.219 477 A C 1.743 179.342 177.584 0.025 0.000 1.158 477 A CA 1.569 53.619 52.037 0.021 0.000 0.661 477 A CB -0.742 18.272 19.000 0.023 0.000 0.801 477 A HN 1.920 nan 8.150 nan 0.000 0.452 478 G N -2.298 106.523 108.800 0.035 0.000 2.181 478 G HA2 0.263 4.217 3.960 -0.009 0.000 0.152 478 G HA3 0.263 4.217 3.960 -0.009 0.000 0.152 478 G C 0.290 175.219 174.900 0.048 0.000 1.026 478 G CA 0.125 45.253 45.100 0.046 0.000 0.699 478 G HN 1.369 nan 8.290 nan 0.000 0.497 479 A N -0.114 122.731 122.820 0.042 0.000 2.409 479 A HA 0.760 5.075 4.320 -0.009 0.000 0.246 479 A C 1.692 179.316 177.584 0.068 0.000 1.099 479 A CA 1.185 53.236 52.037 0.024 0.000 0.789 479 A CB 0.349 19.349 19.000 -0.000 0.000 1.053 479 A HN 0.931 nan 8.150 nan 0.000 0.503 480 S N -1.245 114.486 115.700 0.052 0.000 2.404 480 S HA 0.125 4.590 4.470 -0.009 0.000 0.223 480 S C -0.168 174.673 174.600 0.402 0.000 1.040 480 S CA 1.370 59.690 58.200 0.200 0.000 0.957 480 S CB -0.183 63.132 63.200 0.192 0.000 0.826 480 S HN 0.882 nan 8.310 nan 0.000 0.491 481 W N 0.118 121.472 121.300 0.090 0.000 3.405 481 W HA 0.725 5.380 4.660 -0.009 0.000 0.329 481 W C -1.991 174.555 176.519 0.046 0.000 1.142 481 W CA -1.030 56.364 57.345 0.082 0.000 1.235 481 W CB 0.444 29.974 29.460 0.116 0.000 1.341 481 W HN -0.313 nan 8.180 nan 0.000 0.481 482 V N 4.020 124.075 119.914 0.234 0.000 2.581 482 V HA 0.784 4.899 4.120 -0.009 0.000 0.303 482 V C -0.037 176.137 176.094 0.134 0.000 1.041 482 V CA -0.619 61.748 62.300 0.113 0.000 0.907 482 V CB 1.659 33.530 31.823 0.080 0.000 0.994 482 V HN 0.703 nan 8.190 nan 0.000 0.442 483 S N 3.370 119.110 115.700 0.068 0.000 2.548 483 S HA 0.814 5.279 4.470 -0.009 0.000 0.286 483 S C -1.224 173.424 174.600 0.080 0.000 1.098 483 S CA -0.618 57.638 58.200 0.092 0.000 0.930 483 S CB 2.091 65.324 63.200 0.054 0.000 1.070 483 S HN 0.582 nan 8.310 nan 0.000 0.480 484 F N 2.138 122.132 119.950 0.074 0.000 2.553 484 F HA 0.530 5.052 4.527 -0.008 0.000 0.335 484 F C -0.427 175.512 175.800 0.231 0.000 1.148 484 F CA -0.232 57.796 58.000 0.046 0.000 0.963 484 F CB 1.193 40.207 39.000 0.023 0.000 1.217 484 F HN 0.852 nan 8.300 nan 0.000 0.441 485 H N 3.618 122.314 119.070 -0.624 0.000 2.737 485 H HA 0.378 4.929 4.556 -0.009 0.000 0.358 485 H C -1.180 173.669 175.328 -0.798 0.000 1.187 485 H CA -1.136 54.612 56.048 -0.500 0.000 1.221 485 H CB 2.407 32.013 29.762 -0.259 0.000 1.799 485 H HN 0.580 nan 8.280 nan 0.000 0.568 486 H N -0.513 118.382 119.070 -0.291 0.000 2.679 486 H HA 0.284 4.836 4.556 -0.007 0.000 0.360 486 H C 0.442 175.808 175.328 0.062 0.000 1.105 486 H CA 0.177 56.124 56.048 -0.169 0.000 1.196 486 H CB 1.604 31.335 29.762 -0.050 0.000 1.636 486 H HN 1.021 nan 8.280 nan 0.000 0.531 487 G N 3.087 111.667 108.800 -0.367 0.000 2.162 487 G HA2 -0.256 3.699 3.960 -0.009 0.000 0.260 487 G HA3 -0.256 3.699 3.960 -0.009 0.000 0.260 487 G C 0.620 175.632 174.900 0.186 0.000 0.976 487 G CA 0.199 45.135 45.100 -0.273 0.000 0.655 487 G HN 0.981 nan 8.290 nan 0.000 0.533 488 G N -1.188 107.842 108.800 0.384 0.000 2.432 488 G HA2 0.512 4.467 3.960 -0.009 0.000 0.239 488 G HA3 0.512 4.467 3.960 -0.009 0.000 0.239 488 G C 1.583 176.462 174.900 -0.036 0.000 1.291 488 G CA 1.520 46.676 45.100 0.094 0.000 0.863 488 G HN 1.804 nan 8.290 nan 0.000 0.560 489 G N 0.271 109.015 108.800 -0.094 0.000 3.639 489 G HA2 -0.326 3.629 3.960 -0.009 0.000 0.224 489 G HA3 -0.326 3.629 3.960 -0.009 0.000 0.224 489 G C 1.451 176.334 174.900 -0.029 0.000 1.339 489 G CA 1.591 46.640 45.100 -0.085 0.000 0.933 489 G HN 1.995 nan 8.290 nan 0.000 0.568 490 V N -0.871 119.088 119.914 0.074 0.000 3.621 490 V HA 0.632 4.747 4.120 -0.009 0.000 0.285 490 V C 1.421 177.651 176.094 0.227 0.000 1.346 490 V CA 0.814 63.198 62.300 0.140 0.000 1.104 490 V CB -0.384 31.511 31.823 0.120 0.000 0.913 490 V HN 2.540 nan 8.190 nan 0.000 0.432 491 G N 0.359 109.306 108.800 0.245 0.000 2.661 491 G HA2 -0.092 3.863 3.960 -0.009 0.000 0.685 491 G HA3 -0.092 3.863 3.960 -0.009 0.000 0.685 491 G C -0.566 174.244 174.900 -0.149 0.000 1.298 491 G CA -0.495 44.727 45.100 0.204 0.000 0.855 491 G HN 0.257 nan 8.290 nan 0.000 0.560 492 M N 0.980 120.126 119.600 -0.757 0.000 2.240 492 M HA 0.283 4.758 4.480 -0.009 0.000 0.346 492 M C 1.913 178.116 176.300 -0.161 0.000 1.236 492 M CA 1.925 56.785 55.300 -0.732 0.000 0.986 492 M CB -0.711 31.216 32.600 -1.120 0.000 1.786 492 M HN 2.591 nan 8.290 nan 0.000 0.457 493 G N 3.012 111.899 108.800 0.146 0.000 2.212 493 G HA2 -0.318 3.637 3.960 -0.009 0.000 0.266 493 G HA3 -0.318 3.637 3.960 -0.009 0.000 0.266 493 G C 0.485 175.269 174.900 -0.193 0.000 0.978 493 G CA 0.553 45.674 45.100 0.035 0.000 0.632 493 G HN 0.747 nan 8.290 nan 0.000 0.537 494 Y N 1.345 121.691 120.300 0.075 0.000 2.467 494 Y HA 0.483 5.029 4.550 -0.007 0.000 0.250 494 Y C 1.346 177.310 175.900 0.106 0.000 1.155 494 Y CA 0.601 58.751 58.100 0.083 0.000 1.249 494 Y CB 0.859 39.365 38.460 0.076 0.000 1.146 494 Y HN 0.690 nan 8.280 nan 0.000 0.524 495 S N -0.575 115.266 115.700 0.236 0.000 2.552 495 S HA 0.704 5.169 4.470 -0.009 0.000 0.272 495 S C -1.547 173.211 174.600 0.264 0.000 1.150 495 S CA -0.917 57.433 58.200 0.250 0.000 0.849 495 S CB 1.323 64.683 63.200 0.266 0.000 1.113 495 S HN 0.051 nan 8.310 nan 0.000 0.458 496 L N 2.462 123.806 121.223 0.201 0.000 2.436 496 L HA 0.772 5.107 4.340 -0.009 0.000 0.268 496 L C -0.998 175.830 176.870 -0.070 0.000 0.974 496 L CA -0.654 54.159 54.840 -0.045 0.000 0.826 496 L CB 2.167 44.284 42.059 0.097 0.000 1.291 496 L HN 1.133 nan 8.230 nan 0.000 0.406 497 H N 1.050 119.918 119.070 -0.336 0.000 3.014 497 H HA 0.878 5.429 4.556 -0.008 0.000 0.337 497 H C -1.334 173.767 175.328 -0.377 0.000 1.320 497 H CA -0.893 55.025 56.048 -0.217 0.000 1.128 497 H CB 1.564 31.300 29.762 -0.044 0.000 1.862 497 H HN 0.654 nan 8.280 nan 0.000 0.536 498 A N 0.642 123.339 122.820 -0.204 0.000 2.384 498 A HA 0.880 5.195 4.320 -0.009 0.000 0.312 498 A C -0.156 176.972 177.584 -0.758 0.000 1.113 498 A CA -0.438 51.389 52.037 -0.351 0.000 0.779 498 A CB 1.467 20.451 19.000 -0.027 0.000 1.307 498 A HN 1.191 nan 8.150 nan 0.000 0.436 499 G N -0.495 107.800 108.800 -0.840 0.000 2.533 499 G HA2 0.726 4.681 3.960 -0.009 0.000 0.304 499 G HA3 0.726 4.681 3.960 -0.009 0.000 0.304 499 G C -0.897 173.854 174.900 -0.248 0.000 1.263 499 G CA -0.329 44.360 45.100 -0.684 0.000 0.964 499 G HN 1.636 nan 8.290 nan 0.000 0.479 500 M N 0.690 120.187 119.600 -0.172 0.000 2.322 500 M HA 0.745 5.219 4.480 -0.009 0.000 0.286 500 M C -1.957 174.191 176.300 -0.252 0.000 1.111 500 M CA -0.720 54.482 55.300 -0.163 0.000 0.941 500 M CB 2.074 34.618 32.600 -0.094 0.000 1.671 500 M HN 0.414 nan 8.290 nan 0.000 0.470 501 V N 3.054 122.700 119.914 -0.447 0.000 2.709 501 V HA 1.030 5.145 4.120 -0.009 0.000 0.308 501 V C -0.640 175.143 176.094 -0.518 0.000 1.062 501 V CA -0.318 61.579 62.300 -0.672 0.000 0.901 501 V CB 1.642 32.549 31.823 -1.527 0.000 1.003 501 V HN 1.181 nan 8.190 nan 0.000 0.425 502 A N 3.707 126.333 122.820 -0.323 0.000 2.393 502 A HA 0.884 5.199 4.320 -0.009 0.000 0.306 502 A C -1.046 176.476 177.584 -0.104 0.000 1.050 502 A CA -0.584 51.362 52.037 -0.150 0.000 0.724 502 A CB 1.894 20.857 19.000 -0.061 0.000 1.248 502 A HN 0.678 nan 8.150 nan 0.000 0.424 503 V N 1.501 121.407 119.914 -0.014 0.000 2.439 503 V HA 0.579 4.694 4.120 -0.009 0.000 0.282 503 V C 0.721 176.815 176.094 0.001 0.000 1.039 503 V CA -0.049 62.267 62.300 0.026 0.000 0.913 503 V CB 1.394 33.297 31.823 0.132 0.000 0.983 503 V HN 1.172 nan 8.190 nan 0.000 0.460 504 A N 3.219 126.015 122.820 -0.040 0.000 2.582 504 A HA 0.503 4.817 4.320 -0.009 0.000 0.336 504 A C 0.563 178.081 177.584 -0.110 0.000 1.445 504 A CA -0.492 51.505 52.037 -0.068 0.000 0.997 504 A CB -0.203 18.741 19.000 -0.094 0.000 1.148 504 A HN 0.925 nan 8.150 nan 0.000 0.514 505 D N 1.323 121.671 120.400 -0.086 0.000 2.340 505 D HA 0.242 4.877 4.640 -0.009 0.000 0.217 505 D C 1.121 177.348 176.300 -0.122 0.000 1.081 505 D CA 0.574 54.483 54.000 -0.151 0.000 0.842 505 D CB -0.067 40.707 40.800 -0.044 0.000 0.934 505 D HN 0.971 nan 8.370 nan 0.000 0.511 506 G N 0.361 109.109 108.800 -0.087 0.000 2.205 506 G HA2 -0.316 3.639 3.960 -0.009 0.000 0.261 506 G HA3 -0.316 3.639 3.960 -0.009 0.000 0.261 506 G C 0.522 175.406 174.900 -0.027 0.000 0.980 506 G CA 0.566 45.628 45.100 -0.064 0.000 0.632 506 G HN 0.848 nan 8.290 nan 0.000 0.533 507 S N -0.244 115.452 115.700 -0.007 0.000 2.624 507 S HA 0.525 4.990 4.470 -0.009 0.000 0.263 507 S C 1.111 175.716 174.600 0.009 0.000 1.287 507 S CA 0.473 58.681 58.200 0.014 0.000 0.990 507 S CB 1.387 64.609 63.200 0.037 0.000 0.950 507 S HN 0.380 nan 8.310 nan 0.000 0.561 508 E N 0.010 120.219 120.200 0.013 0.000 2.152 508 E HA -0.060 4.285 4.350 -0.009 0.000 0.192 508 E C 1.804 178.413 176.600 0.014 0.000 0.983 508 E CA 0.474 56.880 56.400 0.010 0.000 0.818 508 E CB -0.257 29.450 29.700 0.011 0.000 0.758 508 E HN 0.584 nan 8.360 nan 0.000 0.467 509 L N 0.905 122.143 121.223 0.024 0.000 2.012 509 L HA -0.218 4.117 4.340 -0.009 0.000 0.210 509 L C 2.486 179.372 176.870 0.027 0.000 1.073 509 L CA 1.434 56.292 54.840 0.031 0.000 0.748 509 L CB -0.383 41.703 42.059 0.045 0.000 0.891 509 L HN 0.126 nan 8.230 nan 0.000 0.431 510 A N -0.516 122.319 122.820 0.025 0.000 1.940 510 A HA -0.262 4.052 4.320 -0.009 0.000 0.219 510 A C 1.858 179.445 177.584 0.005 0.000 1.176 510 A CA 1.957 54.004 52.037 0.017 0.000 0.631 510 A CB -0.605 18.400 19.000 0.008 0.000 0.814 510 A HN 0.496 nan 8.150 nan 0.000 0.446 511 D N -0.672 119.727 120.400 -0.001 0.000 2.123 511 D HA -0.159 4.475 4.640 -0.009 0.000 0.196 511 D C 1.918 178.216 176.300 -0.003 0.000 0.992 511 D CA 1.730 55.725 54.000 -0.007 0.000 0.833 511 D CB -0.184 40.610 40.800 -0.009 0.000 0.954 511 D HN 0.578 nan 8.370 nan 0.000 0.455 512 E N 0.977 121.180 120.200 0.004 0.000 2.017 512 E HA -0.112 4.233 4.350 -0.009 0.000 0.193 512 E C 2.171 178.776 176.600 0.009 0.000 0.997 512 E CA 1.096 57.500 56.400 0.006 0.000 0.804 512 E CB 0.051 29.757 29.700 0.011 0.000 0.757 512 E HN 0.140 nan 8.360 nan 0.000 0.448 513 R N -0.123 120.386 120.500 0.015 0.000 2.073 513 R HA -0.082 4.253 4.340 -0.009 0.000 0.234 513 R C 2.627 178.935 176.300 0.013 0.000 1.134 513 R CA 1.470 57.581 56.100 0.019 0.000 0.952 513 R CB -0.544 29.775 30.300 0.031 0.000 0.850 513 R HN 0.217 nan 8.270 nan 0.000 0.433 514 L N 0.342 121.570 121.223 0.008 0.000 2.012 514 L HA -0.198 4.137 4.340 -0.009 0.000 0.210 514 L C 2.733 179.601 176.870 -0.003 0.000 1.073 514 L CA 1.382 56.225 54.840 0.005 0.000 0.748 514 L CB -0.661 41.398 42.059 -0.001 0.000 0.891 514 L HN 0.282 nan 8.230 nan 0.000 0.431 515 A N -0.273 122.541 122.820 -0.010 0.000 1.940 515 A HA -0.242 4.073 4.320 -0.009 0.000 0.219 515 A C 2.317 179.891 177.584 -0.017 0.000 1.176 515 A CA 1.773 53.798 52.037 -0.020 0.000 0.631 515 A CB -0.404 18.587 19.000 -0.016 0.000 0.814 515 A HN 0.241 nan 8.150 nan 0.000 0.446 516 R N -1.159 119.340 120.500 -0.002 0.000 2.055 516 R HA 0.005 4.340 4.340 -0.009 0.000 0.228 516 R C 2.121 178.426 176.300 0.009 0.000 1.143 516 R CA 1.458 57.562 56.100 0.007 0.000 0.945 516 R CB -1.084 29.223 30.300 0.011 0.000 0.841 516 R HN 0.294 nan 8.270 nan 0.000 0.429 517 V N 0.459 120.379 119.914 0.010 0.000 2.548 517 V HA -0.072 4.043 4.120 -0.009 0.000 0.249 517 V C 1.730 177.829 176.094 0.008 0.000 1.055 517 V CA 1.375 63.683 62.300 0.013 0.000 1.065 517 V CB -0.173 31.658 31.823 0.013 0.000 0.681 517 V HN 0.286 nan 8.190 nan 0.000 0.462 518 L N -0.510 120.710 121.223 -0.004 0.000 2.551 518 L HA -0.062 4.273 4.340 -0.009 0.000 0.228 518 L C 2.204 179.011 176.870 -0.105 0.000 1.153 518 L CA 1.275 56.097 54.840 -0.031 0.000 0.851 518 L CB -0.481 41.563 42.059 -0.024 0.000 0.959 518 L HN 0.359 nan 8.230 nan 0.000 0.451 519 T N -1.611 112.902 114.554 -0.069 0.000 3.004 519 T HA -0.073 4.271 4.350 -0.009 0.000 0.243 519 T C 2.090 176.841 174.700 0.084 0.000 1.020 519 T CA 1.158 63.216 62.100 -0.069 0.000 1.145 519 T CB 0.129 68.988 68.868 -0.015 0.000 0.876 519 T HN 0.458 nan 8.240 nan 0.000 0.449 520 S N 1.897 117.638 115.700 0.067 0.000 2.368 520 S HA -0.167 4.298 4.470 -0.009 0.000 0.224 520 S C 1.804 176.452 174.600 0.080 0.000 1.029 520 S CA 1.509 59.760 58.200 0.085 0.000 0.988 520 S CB -0.644 62.590 63.200 0.056 0.000 0.838 520 S HN 0.365 nan 8.310 nan 0.000 0.462 521 D N 3.068 123.497 120.400 0.048 0.000 2.088 521 D HA -0.049 4.585 4.640 -0.009 0.000 0.191 521 D C -0.354 175.970 176.300 0.038 0.000 0.992 521 D CA 1.770 55.789 54.000 0.032 0.000 0.831 521 D CB -0.916 39.895 40.800 0.018 0.000 0.973 521 D HN 0.397 nan 8.370 nan 0.000 0.447 522 P HA 0.010 nan 4.420 nan 0.000 0.220 522 P C 1.634 179.044 177.300 0.183 0.000 1.152 522 P CA 1.517 64.664 63.100 0.079 0.000 0.812 522 P CB -0.235 31.495 31.700 0.050 0.000 0.792 523 G N 0.509 109.478 108.800 0.282 0.000 2.442 523 G HA2 -0.267 3.688 3.960 -0.009 0.000 0.219 523 G HA3 -0.267 3.688 3.960 -0.009 0.000 0.219 523 G C 1.621 176.563 174.900 0.071 0.000 1.141 523 G CA 0.680 45.899 45.100 0.198 0.000 0.763 523 G HN 0.114 nan 8.290 nan 0.000 0.554 524 M N 1.252 120.905 119.600 0.088 0.000 2.108 524 M HA -0.073 4.402 4.480 -0.009 0.000 0.261 524 M C 2.690 179.013 176.300 0.037 0.000 1.066 524 M CA 1.794 57.149 55.300 0.091 0.000 1.107 524 M CB -1.125 31.532 32.600 0.095 0.000 1.356 524 M HN 0.285 nan 8.290 nan 0.000 0.406 525 G N 0.369 109.174 108.800 0.009 0.000 2.422 525 G HA2 -0.178 3.777 3.960 -0.009 0.000 0.218 525 G HA3 -0.178 3.777 3.960 -0.009 0.000 0.218 525 G C 1.406 176.319 174.900 0.022 0.000 1.146 525 G CA 0.461 45.553 45.100 -0.014 0.000 0.769 525 G HN 0.388 nan 8.290 nan 0.000 0.547 526 I N 2.024 122.579 120.570 -0.025 0.000 2.252 526 I HA -0.095 4.070 4.170 -0.009 0.000 0.245 526 I C 2.891 178.978 176.117 -0.051 0.000 1.102 526 I CA 0.859 62.123 61.300 -0.059 0.000 1.385 526 I CB -1.081 36.817 38.000 -0.170 0.000 1.064 526 I HN 0.384 nan 8.210 nan 0.000 0.414 527 I N -1.394 119.143 120.570 -0.055 0.000 2.394 527 I HA -0.166 3.999 4.170 -0.009 0.000 0.251 527 I C 2.691 178.671 176.117 -0.229 0.000 1.136 527 I CA 1.158 62.432 61.300 -0.044 0.000 1.425 527 I CB -0.586 37.461 38.000 0.078 0.000 1.079 527 I HN 0.086 nan 8.210 nan 0.000 0.425 528 R N 1.230 121.457 120.500 -0.455 0.000 2.075 528 R HA -0.165 4.170 4.340 -0.009 0.000 0.232 528 R C 2.027 177.872 176.300 -0.759 0.000 1.126 528 R CA 1.961 57.355 56.100 -1.178 0.000 0.963 528 R CB -0.585 29.047 30.300 -1.113 0.000 0.858 528 R HN 0.515 nan 8.270 nan 0.000 0.435 529 H N -0.561 118.314 119.070 -0.326 0.000 2.482 529 H HA 0.165 4.716 4.556 -0.008 0.000 0.286 529 H C 1.765 177.112 175.328 0.031 0.000 1.017 529 H CA 1.162 57.154 56.048 -0.094 0.000 1.322 529 H CB 0.138 29.823 29.762 -0.128 0.000 1.426 529 H HN 0.338 nan 8.280 nan 0.000 0.546 530 A N 0.386 123.230 122.820 0.040 0.000 1.930 530 A HA -0.182 4.132 4.320 -0.009 0.000 0.217 530 A C 2.121 179.709 177.584 0.006 0.000 1.175 530 A CA 1.649 53.707 52.037 0.036 0.000 0.627 530 A CB -0.318 18.685 19.000 0.005 0.000 0.815 530 A HN 0.502 nan 8.150 nan 0.000 0.443 531 D N 0.187 120.560 120.400 -0.046 0.000 2.178 531 D HA -0.060 4.574 4.640 -0.009 0.000 0.202 531 D C 1.887 178.181 176.300 -0.010 0.000 0.974 531 D CA 1.187 55.191 54.000 0.007 0.000 0.841 531 D CB -0.009 40.846 40.800 0.091 0.000 0.953 531 D HN 0.347 nan 8.370 nan 0.000 0.478 532 A N -0.151 122.636 122.820 -0.056 0.000 2.167 532 A HA 0.267 4.582 4.320 -0.009 0.000 0.214 532 A C 1.734 179.237 177.584 -0.134 0.000 1.151 532 A CA 1.409 53.414 52.037 -0.054 0.000 0.735 532 A CB -0.183 18.824 19.000 0.011 0.000 0.802 532 A HN 0.440 nan 8.150 nan 0.000 0.467 533 G N -2.751 105.994 108.800 -0.092 0.000 2.138 533 G HA2 -0.219 3.736 3.960 -0.009 0.000 0.193 533 G HA3 -0.219 3.736 3.960 -0.009 0.000 0.193 533 G C -0.239 174.535 174.900 -0.210 0.000 0.998 533 G CA -0.088 44.923 45.100 -0.148 0.000 0.668 533 G HN 0.339 nan 8.290 nan 0.000 0.516 534 Y N 1.566 121.865 120.300 -0.001 0.000 2.539 534 Y HA 0.364 4.909 4.550 -0.009 0.000 0.352 534 Y C 1.723 177.624 175.900 0.003 0.000 1.004 534 Y CA -0.312 57.797 58.100 0.015 0.000 1.278 534 Y CB 0.830 39.326 38.460 0.060 0.000 1.136 534 Y HN 0.122 nan 8.280 nan 0.000 0.528 535 E N 1.953 122.205 120.200 0.087 0.000 2.086 535 E HA -0.289 4.056 4.350 -0.009 0.000 0.200 535 E C 2.157 178.791 176.600 0.057 0.000 1.012 535 E CA 1.191 57.621 56.400 0.051 0.000 0.812 535 E CB 0.113 29.828 29.700 0.025 0.000 0.743 535 E HN 0.557 nan 8.360 nan 0.000 0.453 536 R N 0.795 121.339 120.500 0.073 0.000 2.105 536 R HA -0.075 4.260 4.340 -0.009 0.000 0.239 536 R C 2.013 178.330 176.300 0.028 0.000 1.135 536 R CA 1.758 57.882 56.100 0.040 0.000 0.967 536 R CB -0.788 29.530 30.300 0.031 0.000 0.861 536 R HN 0.151 nan 8.270 nan 0.000 0.442 537 A N -0.555 122.298 122.820 0.055 0.000 1.929 537 A HA -0.031 4.283 4.320 -0.009 0.000 0.216 537 A C 2.311 179.900 177.584 0.009 0.000 1.176 537 A CA 1.448 53.501 52.037 0.027 0.000 0.628 537 A CB -0.549 18.500 19.000 0.083 0.000 0.816 537 A HN 0.163 nan 8.150 nan 0.000 0.444 538 V N 0.145 120.076 119.914 0.029 0.000 2.407 538 V HA -0.287 3.828 4.120 -0.009 0.000 0.248 538 V C 2.406 178.496 176.094 -0.007 0.000 1.055 538 V CA 2.374 64.679 62.300 0.008 0.000 1.049 538 V CB -0.823 31.008 31.823 0.013 0.000 0.662 538 V HN 0.637 nan 8.190 nan 0.000 0.455 539 E N -0.205 119.994 120.200 -0.001 0.000 2.047 539 E HA -0.167 4.178 4.350 -0.009 0.000 0.191 539 E C 2.269 178.857 176.600 -0.020 0.000 0.987 539 E CA 1.457 57.853 56.400 -0.006 0.000 0.799 539 E CB -0.237 29.465 29.700 0.003 0.000 0.752 539 E HN 0.410 nan 8.360 nan 0.000 0.449 540 V N 1.426 121.322 119.914 -0.031 0.000 2.392 540 V HA -0.328 3.787 4.120 -0.009 0.000 0.249 540 V C 2.286 178.316 176.094 -0.106 0.000 1.059 540 V CA 1.884 64.150 62.300 -0.057 0.000 1.051 540 V CB -0.787 30.993 31.823 -0.072 0.000 0.658 540 V HN 0.350 nan 8.190 nan 0.000 0.455 541 A N -0.103 122.651 122.820 -0.109 0.000 1.883 541 A HA -0.256 4.059 4.320 -0.009 0.000 0.217 541 A C 2.304 179.842 177.584 -0.077 0.000 1.186 541 A CA 2.104 54.066 52.037 -0.125 0.000 0.624 541 A CB -0.433 18.517 19.000 -0.082 0.000 0.822 541 A HN 0.567 nan 8.150 nan 0.000 0.444 542 K N -0.373 120.002 120.400 -0.042 0.000 2.057 542 K HA -0.142 4.173 4.320 -0.009 0.000 0.206 542 K C 1.939 178.531 176.600 -0.013 0.000 1.050 542 K CA 1.523 57.797 56.287 -0.021 0.000 0.935 542 K CB -0.238 32.256 32.500 -0.010 0.000 0.715 542 K HN 0.629 nan 8.250 nan 0.000 0.439 543 E N 0.789 120.982 120.200 -0.013 0.000 2.110 543 E HA -0.198 4.146 4.350 -0.009 0.000 0.193 543 E C 1.127 177.741 176.600 0.023 0.000 0.988 543 E CA 1.080 57.484 56.400 0.007 0.000 0.804 543 E CB 0.092 29.799 29.700 0.012 0.000 0.745 543 E HN 0.178 nan 8.360 nan 0.000 0.458 544 Q N 0.185 119.990 119.800 0.008 0.000 2.165 544 Q HA 0.070 4.405 4.340 -0.009 0.000 0.245 544 Q C -1.224 174.805 176.000 0.048 0.000 0.841 544 Q CA -0.052 55.791 55.803 0.068 0.000 1.078 544 Q CB 0.715 29.566 28.738 0.188 0.000 1.169 544 Q HN 0.096 nan 8.270 nan 0.000 0.475 545 D N 0.533 120.938 120.400 0.007 0.000 2.697 545 D HA -0.219 4.416 4.640 -0.009 0.000 0.238 545 D C -0.681 175.614 176.300 -0.009 0.000 1.152 545 D CA 0.725 54.730 54.000 0.008 0.000 0.666 545 D CB -0.894 39.928 40.800 0.036 0.000 1.037 545 D HN 0.410 nan 8.370 nan 0.000 0.423 546 I N 1.232 121.755 120.570 -0.077 0.000 2.304 546 I HA 0.154 4.319 4.170 -0.009 0.000 0.291 546 I C 0.950 177.039 176.117 -0.046 0.000 1.018 546 I CA -0.921 60.318 61.300 -0.102 0.000 1.260 546 I CB 0.818 38.664 38.000 -0.258 0.000 1.390 546 I HN -0.114 nan 8.210 nan 0.000 0.475 547 I N 7.794 128.358 120.570 -0.010 0.000 2.662 547 I HA -0.044 4.121 4.170 -0.009 0.000 0.285 547 I C 0.200 176.324 176.117 0.012 0.000 1.161 547 I CA 0.692 61.995 61.300 0.005 0.000 1.415 547 I CB 0.293 38.303 38.000 0.016 0.000 1.385 547 I HN 0.203 nan 8.210 nan 0.000 0.552 548 V N 9.689 129.611 119.914 0.012 0.000 2.327 548 V HA 0.212 4.327 4.120 -0.009 0.000 0.272 548 V C -1.173 174.936 176.094 0.025 0.000 1.019 548 V CA -0.976 61.340 62.300 0.026 0.000 0.814 548 V CB 0.859 32.693 31.823 0.018 0.000 1.040 548 V HN 0.701 nan 8.190 nan 0.000 0.440 549 P HA -0.190 nan 4.420 nan 0.000 0.222 549 P C 0.592 177.902 177.300 0.018 0.000 1.157 549 P CA 1.780 64.892 63.100 0.020 0.000 0.905 549 P CB 0.177 31.890 31.700 0.021 0.000 0.792 550 M N 0.000 119.614 119.600 0.024 0.000 2.572 550 M HA 0.000 4.475 4.480 -0.009 0.000 0.227 550 M CA 0.000 55.311 55.300 0.019 0.000 0.988 550 M CB 0.000 32.612 32.600 0.020 0.000 1.302 550 M HN 0.000 nan 8.290 nan 0.000 0.411