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_B 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 IVPMQK 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 0.000 174.615 174.600 0.025 0.000 1.055 7 S CA 0.000 58.202 58.200 0.003 0.000 1.107 7 S CB 0.000 63.212 63.200 0.020 0.000 0.593 8 I N 2.515 123.115 120.570 0.050 0.000 2.562 8 I HA 0.785 4.962 4.170 0.012 0.000 0.301 8 I C 0.057 176.228 176.117 0.090 0.000 1.003 8 I CA -0.873 60.478 61.300 0.084 0.000 1.127 8 I CB 2.091 40.151 38.000 0.100 0.000 1.304 8 I HN 0.939 nan 8.210 nan 0.000 0.446 9 R N 3.859 124.418 120.500 0.097 0.000 2.692 9 R HA 0.790 5.137 4.340 0.012 0.000 0.269 9 R C -1.446 174.907 176.300 0.089 0.000 1.030 9 R CA -1.012 55.143 56.100 0.091 0.000 0.882 9 R CB 1.309 31.654 30.300 0.076 0.000 1.250 9 R HN 0.562 nan 8.270 nan 0.000 0.465 10 A N 1.923 124.795 122.820 0.086 0.000 2.462 10 A HA 0.195 4.522 4.320 0.012 0.000 0.243 10 A C -0.218 177.407 177.584 0.068 0.000 1.076 10 A CA -0.345 51.739 52.037 0.079 0.000 0.773 10 A CB -0.018 19.036 19.000 0.091 0.000 1.010 10 A HN 0.665 nan 8.150 nan 0.000 0.493 11 N N 0.948 119.683 118.700 0.058 0.000 2.416 11 N HA 0.195 4.942 4.740 0.012 0.000 0.246 11 N C 0.151 175.703 175.510 0.070 0.000 1.260 11 N CA 0.383 53.462 53.050 0.048 0.000 0.897 11 N CB 0.305 38.804 38.487 0.020 0.000 1.110 11 N HN 0.567 nan 8.380 nan 0.000 0.439 12 R N 0.374 120.913 120.500 0.065 0.000 2.892 12 R HA 0.736 5.083 4.340 0.012 0.000 0.265 12 R C 0.460 176.816 176.300 0.094 0.000 1.025 12 R CA -0.581 55.567 56.100 0.080 0.000 0.982 12 R CB 0.750 31.084 30.300 0.057 0.000 1.185 12 R HN 0.775 nan 8.270 nan 0.000 0.484 13 G N -0.182 108.689 108.800 0.118 0.000 2.698 13 G HA2 -0.304 3.663 3.960 0.012 0.000 0.225 13 G HA3 -0.304 3.663 3.960 0.012 0.000 0.225 13 G C 0.332 175.378 174.900 0.242 0.000 1.345 13 G CA 0.005 45.185 45.100 0.133 0.000 0.871 13 G HN 0.653 nan 8.290 nan 0.000 0.540 14 T N -2.008 112.681 114.554 0.226 0.000 3.107 14 T HA 0.376 4.733 4.350 0.012 0.000 0.249 14 T C 0.691 175.481 174.700 0.151 0.000 1.096 14 T CA 1.121 63.438 62.100 0.362 0.000 1.012 14 T CB 0.238 69.279 68.868 0.288 0.000 0.977 14 T HN 0.615 nan 8.240 nan 0.000 0.527 15 E N 1.030 121.254 120.200 0.040 0.000 2.316 15 E HA 0.365 4.722 4.350 0.012 0.000 0.275 15 E C -1.062 175.417 176.600 -0.203 0.000 1.029 15 E CA -0.521 55.841 56.400 -0.063 0.000 0.871 15 E CB 0.535 30.216 29.700 -0.031 0.000 1.022 15 E HN 0.180 nan 8.360 nan 0.000 0.418 16 L N 3.191 124.251 121.223 -0.272 0.000 2.325 16 L HA 0.200 4.547 4.340 0.012 0.000 0.278 16 L C 0.926 177.660 176.870 -0.226 0.000 1.023 16 L CA 0.354 54.971 54.840 -0.371 0.000 0.811 16 L CB 1.437 43.203 42.059 -0.487 0.000 1.249 16 L HN 0.634 nan 8.230 nan 0.000 0.431 17 E N 0.180 120.253 120.200 -0.210 0.000 2.447 17 E HA 0.149 4.506 4.350 0.012 0.000 0.204 17 E C -0.233 176.274 176.600 -0.154 0.000 0.977 17 E CA 0.087 56.398 56.400 -0.149 0.000 0.950 17 E CB 0.644 30.273 29.700 -0.119 0.000 0.975 17 E HN 0.629 nan 8.360 nan 0.000 0.496 18 C N 0.035 119.225 119.300 -0.182 0.000 2.380 18 C HA 0.307 4.774 4.460 0.012 0.000 0.393 18 C C 1.843 176.741 174.990 -0.153 0.000 1.284 18 C CA -0.624 58.300 59.018 -0.157 0.000 2.033 18 C CB 0.418 28.074 27.740 -0.140 0.000 2.165 18 C HN 0.322 nan 8.230 nan 0.000 0.540 19 L N 1.106 122.263 121.223 -0.112 0.000 2.478 19 L HA 0.236 4.583 4.340 0.012 0.000 0.223 19 L C 1.055 177.881 176.870 -0.073 0.000 1.140 19 L CA 0.808 55.597 54.840 -0.086 0.000 0.842 19 L CB -0.793 41.231 42.059 -0.057 0.000 0.953 19 L HN 0.902 nan 8.230 nan 0.000 0.452 20 G N -3.240 105.511 108.800 -0.082 0.000 2.623 20 G HA2 0.214 4.181 3.960 0.012 0.000 0.290 20 G HA3 0.214 4.181 3.960 0.012 0.000 0.290 20 G C -1.069 173.814 174.900 -0.028 0.000 1.437 20 G CA -0.712 44.369 45.100 -0.031 0.000 0.798 20 G HN -0.025 nan 8.290 nan 0.000 0.488 21 W N -0.444 120.880 121.300 0.039 0.000 2.402 21 W HA 0.064 4.730 4.660 0.010 0.000 0.286 21 W C 2.424 178.992 176.519 0.080 0.000 1.221 21 W CA 1.384 58.760 57.345 0.051 0.000 1.257 21 W CB 0.457 29.946 29.460 0.048 0.000 1.120 21 W HN 0.803 nan 8.180 nan 0.000 0.551 22 E N 0.344 120.737 120.200 0.322 0.000 2.051 22 E HA -0.296 4.061 4.350 0.012 0.000 0.192 22 E C 2.337 179.085 176.600 0.245 0.000 0.991 22 E CA 1.831 58.401 56.400 0.283 0.000 0.799 22 E CB -0.180 29.656 29.700 0.226 0.000 0.748 22 E HN 0.246 nan 8.360 nan 0.000 0.449 23 Q N 0.252 120.139 119.800 0.145 0.000 2.167 23 Q HA -0.169 4.178 4.340 0.012 0.000 0.202 23 Q C 1.817 177.833 176.000 0.027 0.000 0.970 23 Q CA 0.954 56.796 55.803 0.066 0.000 0.855 23 Q CB -0.291 28.453 28.738 0.010 0.000 0.911 23 Q HN 0.292 nan 8.270 nan 0.000 0.438 24 E N 1.286 121.506 120.200 0.033 0.000 2.110 24 E HA -0.067 4.290 4.350 0.012 0.000 0.193 24 E C 2.006 178.674 176.600 0.114 0.000 0.988 24 E CA 1.198 57.590 56.400 -0.014 0.000 0.804 24 E CB -0.099 29.495 29.700 -0.176 0.000 0.745 24 E HN 0.447 nan 8.360 nan 0.000 0.458 25 A N 0.762 123.743 122.820 0.268 0.000 1.908 25 A HA -0.168 4.159 4.320 0.012 0.000 0.218 25 A C 2.574 180.310 177.584 0.254 0.000 1.181 25 A CA 1.671 53.923 52.037 0.358 0.000 0.627 25 A CB -0.704 18.583 19.000 0.479 0.000 0.818 25 A HN 0.152 nan 8.150 nan 0.000 0.445 26 V N -0.256 119.689 119.914 0.051 0.000 2.261 26 V HA -0.251 3.876 4.120 0.012 0.000 0.246 26 V C 2.468 178.382 176.094 -0.300 0.000 1.047 26 V CA 1.953 64.015 62.300 -0.397 0.000 1.015 26 V CB -0.985 30.599 31.823 -0.399 0.000 0.642 26 V HN 0.570 nan 8.190 nan 0.000 0.446 27 L N 0.328 121.428 121.223 -0.205 0.000 2.043 27 L HA -0.191 4.156 4.340 0.012 0.000 0.212 27 L C 2.595 179.386 176.870 -0.131 0.000 1.075 27 L CA 1.988 56.696 54.840 -0.221 0.000 0.752 27 L CB -0.687 41.276 42.059 -0.160 0.000 0.891 27 L HN 0.209 nan 8.230 nan 0.000 0.432 28 R N -1.787 118.704 120.500 -0.015 0.000 2.090 28 R HA -0.063 4.284 4.340 0.012 0.000 0.228 28 R C 2.047 178.401 176.300 0.091 0.000 1.110 28 R CA 1.338 57.473 56.100 0.058 0.000 0.973 28 R CB -0.292 30.083 30.300 0.125 0.000 0.869 28 R HN 0.343 nan 8.270 nan 0.000 0.440 29 M N 0.311 119.992 119.600 0.135 0.000 2.254 29 M HA -0.062 4.425 4.480 0.012 0.000 0.265 29 M C 2.188 178.573 176.300 0.142 0.000 1.066 29 M CA 1.003 56.447 55.300 0.241 0.000 1.123 29 M CB -0.827 32.076 32.600 0.505 0.000 1.388 29 M HN 0.135 nan 8.290 nan 0.000 0.425 30 L N 0.796 121.939 121.223 -0.133 0.000 2.017 30 L HA -0.153 4.194 4.340 0.012 0.000 0.208 30 L C 2.447 179.262 176.870 -0.092 0.000 1.073 30 L CA 1.951 56.508 54.840 -0.471 0.000 0.745 30 L CB -0.551 40.914 42.059 -0.990 0.000 0.894 30 L HN 0.171 nan 8.230 nan 0.000 0.432 31 R N -0.554 119.948 120.500 0.003 0.000 2.075 31 R HA -0.135 4.212 4.340 0.012 0.000 0.232 31 R C 2.169 178.540 176.300 0.119 0.000 1.126 31 R CA 1.321 57.497 56.100 0.126 0.000 0.963 31 R CB -0.683 29.690 30.300 0.122 0.000 0.858 31 R HN 0.450 nan 8.270 nan 0.000 0.435 32 N N 1.016 119.789 118.700 0.121 0.000 2.272 32 N HA -0.177 4.570 4.740 0.012 0.000 0.185 32 N C 1.291 176.912 175.510 0.186 0.000 1.014 32 N CA 1.234 54.372 53.050 0.145 0.000 0.870 32 N CB -0.160 38.419 38.487 0.153 0.000 0.975 32 N HN 0.094 nan 8.380 nan 0.000 0.433 33 N N -0.470 118.353 118.700 0.205 0.000 2.309 33 N HA 0.051 4.798 4.740 0.012 0.000 0.182 33 N C 0.565 176.180 175.510 0.176 0.000 1.018 33 N CA 0.644 53.848 53.050 0.257 0.000 0.876 33 N CB 0.079 38.743 38.487 0.294 0.000 0.972 33 N HN 0.327 nan 8.380 nan 0.000 0.434 34 L N -0.431 120.860 121.223 0.114 0.000 2.769 34 L HA 0.186 4.533 4.340 0.012 0.000 0.240 34 L C 0.106 177.031 176.870 0.091 0.000 1.163 34 L CA -0.267 54.612 54.840 0.064 0.000 0.962 34 L CB 0.075 42.112 42.059 -0.035 0.000 1.258 34 L HN 0.037 nan 8.230 nan 0.000 0.513 35 D N 1.596 122.067 120.400 0.119 0.000 2.425 35 D HA 0.035 4.682 4.640 0.012 0.000 0.247 35 D C -1.617 174.749 176.300 0.110 0.000 1.147 35 D CA -1.525 52.541 54.000 0.110 0.000 0.879 35 D CB 1.939 42.809 40.800 0.117 0.000 1.179 35 D HN -0.093 nan 8.370 nan 0.000 0.456 36 P HA -0.135 nan 4.420 nan 0.000 0.217 36 P C 0.790 178.149 177.300 0.098 0.000 1.148 36 P CA 1.159 64.311 63.100 0.086 0.000 0.828 36 P CB 0.280 32.022 31.700 0.069 0.000 0.783 37 E N -1.205 119.057 120.200 0.102 0.000 2.208 37 E HA -0.066 4.291 4.350 0.012 0.000 0.193 37 E C 1.592 178.273 176.600 0.134 0.000 0.988 37 E CA 0.723 57.189 56.400 0.110 0.000 0.828 37 E CB -0.024 29.739 29.700 0.106 0.000 0.763 37 E HN 0.122 nan 8.360 nan 0.000 0.478 38 V N 0.639 120.647 119.914 0.157 0.000 2.627 38 V HA 0.134 4.261 4.120 0.012 0.000 0.239 38 V C 0.995 177.276 176.094 0.311 0.000 1.077 38 V CA 0.656 63.087 62.300 0.219 0.000 1.103 38 V CB -0.004 31.963 31.823 0.239 0.000 0.802 38 V HN 0.134 nan 8.190 nan 0.000 0.482 39 A N 0.249 123.211 122.820 0.237 0.000 2.332 39 A HA 0.280 4.607 4.320 0.012 0.000 0.258 39 A C 1.189 178.854 177.584 0.134 0.000 1.087 39 A CA -0.144 51.997 52.037 0.174 0.000 0.802 39 A CB 0.296 19.356 19.000 0.099 0.000 1.042 39 A HN 0.347 nan 8.150 nan 0.000 0.489 40 E N 0.226 120.486 120.200 0.100 0.000 2.112 40 E HA -0.019 4.338 4.350 0.012 0.000 0.190 40 E C 0.433 177.073 176.600 0.066 0.000 0.979 40 E CA 1.171 57.624 56.400 0.088 0.000 0.814 40 E CB 0.145 29.896 29.700 0.085 0.000 0.762 40 E HN 0.613 nan 8.360 nan 0.000 0.460 41 K N 0.335 120.765 120.400 0.050 0.000 3.262 41 K HA 0.133 4.460 4.320 0.012 0.000 0.166 41 K C -2.242 174.386 176.600 0.047 0.000 1.091 41 K CA -0.852 55.464 56.287 0.047 0.000 0.798 41 K CB 1.089 33.610 32.500 0.036 0.000 0.953 41 K HN -0.188 nan 8.250 nan 0.000 0.588 42 P HA -0.230 nan 4.420 nan 0.000 0.223 42 P C 0.727 178.130 177.300 0.171 0.000 1.144 42 P CA 1.123 64.267 63.100 0.072 0.000 0.783 42 P CB 0.290 32.039 31.700 0.082 0.000 0.771 43 E N 0.210 120.512 120.200 0.170 0.000 2.338 43 E HA -0.151 4.206 4.350 0.012 0.000 0.197 43 E C 0.414 177.230 176.600 0.359 0.000 1.007 43 E CA 0.953 57.505 56.400 0.252 0.000 0.849 43 E CB -0.652 29.125 29.700 0.129 0.000 0.774 43 E HN 0.265 nan 8.360 nan 0.000 0.506 44 D N 0.597 121.099 120.400 0.170 0.000 2.538 44 D HA 0.241 4.888 4.640 0.012 0.000 0.231 44 D C 0.521 176.741 176.300 -0.133 0.000 1.229 44 D CA -0.227 53.814 54.000 0.067 0.000 0.828 44 D CB 0.574 41.400 40.800 0.045 0.000 1.035 44 D HN 0.092 nan 8.370 nan 0.000 0.495 45 L N -0.141 120.945 121.223 -0.228 0.000 4.696 45 L HA -0.242 4.105 4.340 0.012 0.000 0.425 45 L C 0.119 176.880 176.870 -0.180 0.000 1.115 45 L CA 0.599 55.211 54.840 -0.381 0.000 0.996 45 L CB -1.729 39.969 42.059 -0.602 0.000 2.077 45 L HN 0.194 nan 8.230 nan 0.000 0.792 46 I N -0.151 120.361 120.570 -0.096 0.000 2.396 46 I HA 0.094 4.271 4.170 0.012 0.000 0.289 46 I C 1.510 177.585 176.117 -0.070 0.000 1.056 46 I CA -0.298 60.958 61.300 -0.074 0.000 1.365 46 I CB 1.346 39.326 38.000 -0.033 0.000 1.407 46 I HN -0.087 nan 8.210 nan 0.000 0.509 47 V N 6.840 126.676 119.914 -0.130 0.000 2.436 47 V HA 0.037 4.164 4.120 0.012 0.000 0.240 47 V C 0.014 176.006 176.094 -0.170 0.000 1.040 47 V CA 0.805 63.004 62.300 -0.168 0.000 1.052 47 V CB -0.365 31.325 31.823 -0.223 0.000 0.707 47 V HN 0.843 nan 8.190 nan 0.000 0.469 48 Y N -2.756 117.363 120.300 -0.301 0.000 2.895 48 Y HA 0.606 5.158 4.550 0.004 0.000 0.339 48 Y C 0.276 176.131 175.900 -0.074 0.000 1.363 48 Y CA -0.861 57.120 58.100 -0.199 0.000 1.085 48 Y CB 0.622 38.893 38.460 -0.316 0.000 1.500 48 Y HN 0.333 nan 8.280 nan 0.000 0.442 49 G N 1.345 110.246 108.800 0.169 0.000 2.372 49 G HA2 0.268 4.235 3.960 0.012 0.000 0.290 49 G HA3 0.268 4.235 3.960 0.012 0.000 0.290 49 G C 1.027 176.056 174.900 0.215 0.000 0.965 49 G CA 1.597 46.773 45.100 0.127 0.000 1.263 49 G HN 2.740 nan 8.290 nan 0.000 0.498 50 G N 0.094 109.021 108.800 0.210 0.000 2.609 50 G HA2 -0.186 3.781 3.960 0.012 0.000 0.288 50 G HA3 -0.186 3.781 3.960 0.012 0.000 0.288 50 G C 0.921 175.876 174.900 0.092 0.000 1.211 50 G CA 1.009 46.201 45.100 0.154 0.000 0.963 50 G HN 2.130 nan 8.290 nan 0.000 0.541 51 I N 0.279 120.946 120.570 0.161 0.000 3.517 51 I HA 0.632 4.809 4.170 0.012 0.000 0.346 51 I C 0.860 177.069 176.117 0.153 0.000 1.510 51 I CA 0.032 61.414 61.300 0.137 0.000 1.090 51 I CB 0.373 38.469 38.000 0.159 0.000 1.506 51 I HN 0.704 nan 8.210 nan 0.000 0.477 52 G N 2.191 110.958 108.800 -0.055 0.000 2.356 52 G HA2 0.306 4.273 3.960 0.012 0.000 0.273 52 G HA3 0.306 4.273 3.960 0.012 0.000 0.273 52 G C -0.274 174.479 174.900 -0.246 0.000 1.213 52 G CA -0.280 44.605 45.100 -0.358 0.000 0.955 52 G HN 0.423 nan 8.290 nan 0.000 0.454 53 K N 1.386 121.703 120.400 -0.137 0.000 2.245 53 K HA 0.600 4.927 4.320 0.012 0.000 0.234 53 K C 0.950 177.537 176.600 -0.022 0.000 1.021 53 K CA -0.583 55.653 56.287 -0.086 0.000 0.898 53 K CB 2.073 34.540 32.500 -0.056 0.000 1.163 53 K HN 0.353 nan 8.250 nan 0.000 0.459 54 A N 0.287 123.123 122.820 0.027 0.000 2.095 54 A HA 0.415 4.742 4.320 0.012 0.000 0.212 54 A C 0.253 178.047 177.584 0.350 0.000 1.162 54 A CA 0.822 53.012 52.037 0.254 0.000 0.753 54 A CB 0.203 19.316 19.000 0.189 0.000 0.840 54 A HN 0.582 nan 8.150 nan 0.000 0.468 55 A N -1.853 121.033 122.820 0.110 0.000 2.605 55 A HA 0.607 4.934 4.320 0.012 0.000 0.294 55 A C 0.445 178.019 177.584 -0.017 0.000 1.062 55 A CA -0.119 51.983 52.037 0.109 0.000 0.682 55 A CB 0.429 19.516 19.000 0.145 0.000 1.278 55 A HN 0.109 nan 8.150 nan 0.000 0.410 56 R N 0.208 120.715 120.500 0.011 0.000 2.115 56 R HA -0.150 4.197 4.340 0.012 0.000 0.239 56 R C 0.204 176.464 176.300 -0.067 0.000 1.133 56 R CA 3.064 59.157 56.100 -0.012 0.000 0.935 56 R CB -0.095 30.210 30.300 0.007 0.000 0.853 56 R HN 0.956 nan 8.270 nan 0.000 0.433 57 D N -5.010 115.341 120.400 -0.083 0.000 2.664 57 D HA 0.072 4.719 4.640 0.012 0.000 0.292 57 D C -0.075 176.137 176.300 -0.146 0.000 1.214 57 D CA -0.737 53.183 54.000 -0.133 0.000 0.932 57 D CB -0.738 40.060 40.800 -0.003 0.000 1.420 57 D HN -0.008 nan 8.370 nan 0.000 0.471 58 W N 0.101 121.425 121.300 0.040 0.000 2.342 58 W HA -0.076 4.590 4.660 0.010 0.000 0.297 58 W C 1.470 178.057 176.519 0.112 0.000 1.213 58 W CA 1.079 58.445 57.345 0.034 0.000 1.251 58 W CB -0.134 29.357 29.460 0.052 0.000 1.136 58 W HN 0.391 nan 8.180 nan 0.000 0.526 59 D N -0.140 120.462 120.400 0.337 0.000 2.117 59 D HA -0.161 4.486 4.640 0.012 0.000 0.197 59 D C 2.201 178.616 176.300 0.191 0.000 0.987 59 D CA 1.791 55.955 54.000 0.274 0.000 0.829 59 D CB -0.768 40.136 40.800 0.174 0.000 0.961 59 D HN 0.140 nan 8.370 nan 0.000 0.460 60 A N 0.511 123.408 122.820 0.129 0.000 1.902 60 A HA -0.170 4.157 4.320 0.012 0.000 0.217 60 A C 2.092 179.726 177.584 0.084 0.000 1.181 60 A CA 0.926 53.016 52.037 0.087 0.000 0.623 60 A CB -0.959 18.079 19.000 0.064 0.000 0.818 60 A HN 0.236 nan 8.150 nan 0.000 0.443 61 F N 0.644 120.548 119.950 -0.078 0.000 2.069 61 F HA -0.248 4.288 4.527 0.016 0.000 0.298 61 F C 2.475 178.211 175.800 -0.107 0.000 1.113 61 F CA 2.326 60.233 58.000 -0.156 0.000 1.214 61 F CB -0.396 38.438 39.000 -0.277 0.000 0.978 61 F HN 0.385 nan 8.300 nan 0.000 0.474 62 H N -0.225 118.913 119.070 0.114 0.000 2.423 62 H HA 0.030 4.594 4.556 0.013 0.000 0.297 62 H C 2.345 177.633 175.328 -0.065 0.000 1.075 62 H CA 1.154 57.194 56.048 -0.014 0.000 1.342 62 H CB -0.887 28.956 29.762 0.136 0.000 1.395 62 H HN 0.420 nan 8.280 nan 0.000 0.530 63 A N 1.049 123.913 122.820 0.074 0.000 1.930 63 A HA -0.069 4.258 4.320 0.012 0.000 0.217 63 A C 2.633 180.216 177.584 -0.001 0.000 1.175 63 A CA 0.818 52.877 52.037 0.037 0.000 0.627 63 A CB -0.627 18.392 19.000 0.031 0.000 0.815 63 A HN 0.254 nan 8.150 nan 0.000 0.443 64 I N -0.355 120.164 120.570 -0.087 0.000 2.179 64 I HA -0.272 3.905 4.170 0.012 0.000 0.242 64 I C 2.527 178.512 176.117 -0.219 0.000 1.088 64 I CA 1.599 62.815 61.300 -0.140 0.000 1.357 64 I CB -0.523 37.353 38.000 -0.207 0.000 1.051 64 I HN 0.431 nan 8.210 nan 0.000 0.409 65 E N -0.035 119.961 120.200 -0.341 0.000 2.049 65 E HA -0.313 4.044 4.350 0.012 0.000 0.198 65 E C 2.199 178.718 176.600 -0.136 0.000 1.007 65 E CA 1.570 57.789 56.400 -0.303 0.000 0.809 65 E CB -0.405 29.105 29.700 -0.317 0.000 0.749 65 E HN 0.550 nan 8.360 nan 0.000 0.450 66 H N 0.589 119.582 119.070 -0.129 0.000 2.352 66 H HA -0.071 4.492 4.556 0.011 0.000 0.299 66 H C 2.087 177.366 175.328 -0.082 0.000 1.097 66 H CA 1.772 57.770 56.048 -0.084 0.000 1.311 66 H CB 0.182 29.913 29.762 -0.052 0.000 1.377 66 H HN 0.017 nan 8.280 nan 0.000 0.504 67 S N 0.410 116.127 115.700 0.028 0.000 2.368 67 S HA -0.099 4.378 4.470 0.012 0.000 0.225 67 S C 2.266 176.810 174.600 -0.093 0.000 1.030 67 S CA 0.767 58.959 58.200 -0.014 0.000 0.999 67 S CB -0.183 63.026 63.200 0.015 0.000 0.844 67 S HN 0.185 nan 8.310 nan 0.000 0.459 68 L N 1.691 122.843 121.223 -0.118 0.000 2.131 68 L HA 0.016 4.363 4.340 0.012 0.000 0.210 68 L C 1.998 178.785 176.870 -0.139 0.000 1.092 68 L CA 1.638 56.400 54.840 -0.129 0.000 0.759 68 L CB -0.606 41.345 42.059 -0.180 0.000 0.903 68 L HN 0.206 nan 8.230 nan 0.000 0.435 69 K N -1.438 118.853 120.400 -0.181 0.000 2.288 69 K HA -0.028 4.299 4.320 0.012 0.000 0.201 69 K C 1.602 178.092 176.600 -0.183 0.000 1.048 69 K CA 1.463 57.637 56.287 -0.187 0.000 0.956 69 K CB -0.051 32.320 32.500 -0.215 0.000 0.746 69 K HN 0.473 nan 8.250 nan 0.000 0.461 70 T N -1.481 112.952 114.554 -0.202 0.000 3.023 70 T HA 0.146 4.503 4.350 0.012 0.000 0.253 70 T C 0.445 175.088 174.700 -0.095 0.000 1.038 70 T CA -0.494 61.511 62.100 -0.158 0.000 0.962 70 T CB 0.018 68.771 68.868 -0.192 0.000 1.018 70 T HN -0.084 nan 8.240 nan 0.000 0.521 71 L N 2.872 124.047 121.223 -0.081 0.000 2.513 71 L HA 0.309 4.656 4.340 0.012 0.000 0.272 71 L C 0.174 177.029 176.870 -0.024 0.000 1.187 71 L CA 0.118 54.934 54.840 -0.041 0.000 0.895 71 L CB 0.136 42.180 42.059 -0.026 0.000 1.147 71 L HN 0.105 nan 8.230 nan 0.000 0.483 72 K N 3.639 124.033 120.400 -0.011 0.000 2.102 72 K HA 0.192 4.519 4.320 0.012 0.000 0.244 72 K C 0.967 177.582 176.600 0.025 0.000 1.021 72 K CA -0.609 55.679 56.287 0.002 0.000 0.913 72 K CB 0.447 32.948 32.500 0.001 0.000 1.062 72 K HN 0.563 nan 8.250 nan 0.000 0.485 73 N N 1.671 120.391 118.700 0.033 0.000 2.443 73 N HA -0.150 4.597 4.740 0.012 0.000 0.184 73 N C 0.283 175.831 175.510 0.064 0.000 1.037 73 N CA 1.194 54.277 53.050 0.055 0.000 0.896 73 N CB -0.124 38.397 38.487 0.056 0.000 0.959 73 N HN 0.580 nan 8.380 nan 0.000 0.442 74 D N -0.886 119.545 120.400 0.051 0.000 2.571 74 D HA 0.138 4.785 4.640 0.012 0.000 0.239 74 D C -0.206 176.112 176.300 0.031 0.000 1.267 74 D CA -0.161 53.870 54.000 0.052 0.000 0.823 74 D CB -0.212 40.616 40.800 0.047 0.000 1.056 74 D HN 0.072 nan 8.370 nan 0.000 0.494 75 E N -0.429 119.794 120.200 0.039 0.000 2.249 75 E HA 0.610 4.967 4.350 0.012 0.000 0.263 75 E C -0.820 175.817 176.600 0.062 0.000 0.950 75 E CA -0.819 55.603 56.400 0.037 0.000 0.827 75 E CB 1.873 31.585 29.700 0.019 0.000 1.220 75 E HN -0.111 nan 8.360 nan 0.000 0.411 76 T N 1.688 116.288 114.554 0.077 0.000 2.881 76 T HA 0.291 4.648 4.350 0.012 0.000 0.291 76 T C -1.083 173.679 174.700 0.102 0.000 0.990 76 T CA -0.645 61.517 62.100 0.104 0.000 0.976 76 T CB 0.737 69.680 68.868 0.124 0.000 0.970 76 T HN 0.203 nan 8.240 nan 0.000 0.438 77 L N 4.553 125.829 121.223 0.089 0.000 2.350 77 L HA 0.612 4.959 4.340 0.012 0.000 0.275 77 L C -1.089 175.843 176.870 0.104 0.000 1.099 77 L CA -0.303 54.582 54.840 0.075 0.000 0.808 77 L CB 0.384 42.482 42.059 0.066 0.000 1.149 77 L HN 0.579 nan 8.230 nan 0.000 0.442 78 L N 5.921 127.204 121.223 0.101 0.000 2.313 78 L HA 0.563 4.910 4.340 0.012 0.000 0.283 78 L C -0.898 176.026 176.870 0.090 0.000 1.013 78 L CA -0.882 54.025 54.840 0.112 0.000 0.816 78 L CB 1.705 43.854 42.059 0.150 0.000 1.236 78 L HN 0.324 nan 8.230 nan 0.000 0.419 79 V N 3.207 123.168 119.914 0.079 0.000 2.409 79 V HA 0.329 4.456 4.120 0.012 0.000 0.291 79 V C -0.197 175.926 176.094 0.048 0.000 1.020 79 V CA -0.558 61.784 62.300 0.069 0.000 0.848 79 V CB 1.743 33.599 31.823 0.055 0.000 0.990 79 V HN 0.710 nan 8.190 nan 0.000 0.430 80 Q N 2.873 122.700 119.800 0.046 0.000 2.381 80 Q HA 0.317 4.664 4.340 0.012 0.000 0.263 80 Q C -0.070 175.944 176.000 0.023 0.000 1.030 80 Q CA -0.202 55.622 55.803 0.035 0.000 0.772 80 Q CB 1.573 30.334 28.738 0.037 0.000 1.232 80 Q HN 0.894 nan 8.270 nan 0.000 0.476 81 S N 3.185 118.887 115.700 0.004 0.000 3.524 81 S HA -0.223 4.254 4.470 0.012 0.000 0.377 81 S C 0.805 175.413 174.600 0.014 0.000 0.949 81 S CA 1.107 59.306 58.200 -0.002 0.000 1.264 81 S CB -1.621 61.595 63.200 0.026 0.000 0.918 81 S HN 1.188 nan 8.310 nan 0.000 0.517 82 G N 0.299 109.109 108.800 0.016 0.000 2.168 82 G HA2 -0.331 3.636 3.960 0.012 0.000 0.257 82 G HA3 -0.331 3.636 3.960 0.012 0.000 0.257 82 G C -0.218 174.740 174.900 0.096 0.000 0.997 82 G CA 0.955 46.103 45.100 0.080 0.000 0.708 82 G HN 0.835 nan 8.290 nan 0.000 0.520 83 K N 0.727 121.171 120.400 0.073 0.000 2.426 83 K HA 0.526 4.853 4.320 0.012 0.000 0.254 83 K C -2.744 173.898 176.600 0.069 0.000 0.936 83 K CA -2.402 53.924 56.287 0.066 0.000 0.801 83 K CB 2.717 35.241 32.500 0.040 0.000 1.139 83 K HN -0.028 nan 8.250 nan 0.000 0.424 84 P HA 0.024 nan 4.420 nan 0.000 0.276 84 P C 0.379 177.702 177.300 0.038 0.000 1.264 84 P CA -0.252 62.885 63.100 0.061 0.000 0.769 84 P CB 0.984 32.715 31.700 0.051 0.000 0.840 85 V N 1.109 121.047 119.914 0.041 0.000 3.605 85 V HA 0.610 4.737 4.120 0.012 0.000 0.284 85 V C 0.587 176.692 176.094 0.019 0.000 1.386 85 V CA 0.489 62.808 62.300 0.032 0.000 1.053 85 V CB 0.135 31.984 31.823 0.044 0.000 0.857 85 V HN 0.615 nan 8.190 nan 0.000 0.436 86 G N -0.164 108.640 108.800 0.007 0.000 2.523 86 G HA2 0.583 4.550 3.960 0.012 0.000 0.291 86 G HA3 0.583 4.550 3.960 0.012 0.000 0.291 86 G C -1.907 172.911 174.900 -0.136 0.000 1.450 86 G CA -0.385 44.665 45.100 -0.083 0.000 0.790 86 G HN 0.207 nan 8.290 nan 0.000 0.496 87 M N 0.656 120.005 119.600 -0.418 0.000 2.274 87 M HA 0.644 5.131 4.480 0.012 0.000 0.272 87 M C -2.269 173.687 176.300 -0.573 0.000 1.053 87 M CA -0.564 54.562 55.300 -0.290 0.000 0.978 87 M CB 1.489 33.985 32.600 -0.173 0.000 1.836 87 M HN 0.482 nan 8.290 nan 0.000 0.484 88 F N 2.123 122.074 119.950 0.001 0.000 2.603 88 F HA 0.599 5.133 4.527 0.011 0.000 0.317 88 F C 0.322 176.106 175.800 -0.027 0.000 1.066 88 F CA -0.785 57.207 58.000 -0.013 0.000 0.941 88 F CB 1.577 40.568 39.000 -0.016 0.000 1.291 88 F HN 0.523 nan 8.300 nan 0.000 0.472 89 R N 0.888 121.485 120.500 0.161 0.000 2.389 89 R HA 0.442 4.789 4.340 0.012 0.000 0.295 89 R C -0.113 176.166 176.300 -0.035 0.000 1.075 89 R CA 0.428 56.553 56.100 0.041 0.000 1.005 89 R CB 0.786 31.097 30.300 0.018 0.000 0.987 89 R HN 1.003 nan 8.270 nan 0.000 0.452 90 T N 0.575 115.061 114.554 -0.113 0.000 1.559 90 T HA 0.349 4.706 4.350 0.012 0.000 0.177 90 T C -0.394 173.964 174.700 -0.570 0.000 0.688 90 T CA -0.556 61.357 62.100 -0.312 0.000 1.094 90 T CB 0.427 69.242 68.868 -0.089 0.000 3.358 90 T HN 0.707 nan 8.240 nan 0.000 0.413 91 H N 0.237 119.342 119.070 0.058 0.000 2.985 91 H HA 0.480 5.043 4.556 0.012 0.000 0.360 91 H C -2.318 173.043 175.328 0.056 0.000 1.221 91 H CA -1.924 54.154 56.048 0.050 0.000 1.121 91 H CB 1.910 31.697 29.762 0.041 0.000 1.854 91 H HN 0.209 nan 8.280 nan 0.000 0.551 92 P HA -0.144 nan 4.420 nan 0.000 0.219 92 P C 0.628 178.000 177.300 0.121 0.000 1.146 92 P CA 1.456 64.631 63.100 0.125 0.000 0.808 92 P CB 0.329 32.090 31.700 0.101 0.000 0.779 93 Q N -1.302 118.575 119.800 0.129 0.000 2.408 93 Q HA 0.223 4.570 4.340 0.012 0.000 0.205 93 Q C 0.798 176.866 176.000 0.114 0.000 0.919 93 Q CA -0.177 55.687 55.803 0.100 0.000 0.932 93 Q CB 0.027 28.803 28.738 0.064 0.000 1.058 93 Q HN 0.139 nan 8.270 nan 0.000 0.517 94 A N 2.264 125.175 122.820 0.151 0.000 2.332 94 A HA 0.375 4.702 4.320 0.012 0.000 0.258 94 A C -2.342 175.323 177.584 0.135 0.000 1.087 94 A CA -1.366 50.758 52.037 0.144 0.000 0.802 94 A CB -0.037 19.063 19.000 0.165 0.000 1.042 94 A HN -0.079 nan 8.150 nan 0.000 0.489 95 P HA 0.082 nan 4.420 nan 0.000 0.267 95 P C 0.488 177.894 177.300 0.177 0.000 1.200 95 P CA -0.158 63.044 63.100 0.171 0.000 0.772 95 P CB 0.440 32.245 31.700 0.174 0.000 0.855 96 R N 1.022 121.652 120.500 0.216 0.000 2.153 96 R HA 0.107 4.454 4.340 0.012 0.000 0.218 96 R C 0.078 176.477 176.300 0.166 0.000 1.072 96 R CA 0.811 57.018 56.100 0.178 0.000 0.990 96 R CB -0.166 30.249 30.300 0.191 0.000 0.889 96 R HN 0.323 nan 8.270 nan 0.000 0.452 97 V N 1.740 121.783 119.914 0.215 0.000 2.808 97 V HA 0.305 4.432 4.120 0.012 0.000 0.308 97 V C -1.091 175.117 176.094 0.189 0.000 1.099 97 V CA -0.972 61.432 62.300 0.173 0.000 0.920 97 V CB 2.541 34.441 31.823 0.129 0.000 1.014 97 V HN -0.130 nan 8.190 nan 0.000 0.425 98 L N 5.408 126.714 121.223 0.139 0.000 2.333 98 L HA 0.746 5.093 4.340 0.012 0.000 0.280 98 L C -0.741 176.187 176.870 0.096 0.000 1.004 98 L CA -0.353 54.564 54.840 0.129 0.000 0.820 98 L CB 1.456 43.583 42.059 0.114 0.000 1.247 98 L HN 0.500 nan 8.230 nan 0.000 0.416 99 L N 3.112 124.396 121.223 0.101 0.000 2.386 99 L HA 0.909 5.256 4.340 0.012 0.000 0.271 99 L C -0.171 176.792 176.870 0.154 0.000 0.993 99 L CA -0.539 54.346 54.840 0.075 0.000 0.819 99 L CB 2.010 44.055 42.059 -0.023 0.000 1.294 99 L HN 0.643 nan 8.230 nan 0.000 0.414 100 A N 2.428 125.319 122.820 0.118 0.000 2.340 100 A HA 0.816 5.143 4.320 0.012 0.000 0.297 100 A C -1.062 176.558 177.584 0.060 0.000 1.195 100 A CA -0.594 51.541 52.037 0.165 0.000 0.769 100 A CB 0.402 19.485 19.000 0.137 0.000 1.163 100 A HN 0.628 nan 8.150 nan 0.000 0.472 101 N N 0.896 119.576 118.700 -0.034 0.000 2.314 101 N HA 0.483 5.230 4.740 0.012 0.000 0.294 101 N C 0.165 175.625 175.510 -0.083 0.000 1.029 101 N CA 0.115 53.040 53.050 -0.208 0.000 0.845 101 N CB 1.745 39.820 38.487 -0.686 0.000 1.321 101 N HN 0.631 nan 8.380 nan 0.000 0.481 102 S N -1.310 114.430 115.700 0.066 0.000 3.127 102 S HA -0.148 4.329 4.470 0.012 0.000 0.281 102 S C 0.274 175.059 174.600 0.308 0.000 1.293 102 S CA 0.457 58.795 58.200 0.232 0.000 1.156 102 S CB -1.450 61.882 63.200 0.219 0.000 1.389 102 S HN 0.463 nan 8.310 nan 0.000 0.672 103 V N 2.419 122.454 119.914 0.202 0.000 2.485 103 V HA 0.289 4.416 4.120 0.012 0.000 0.287 103 V C 0.411 176.531 176.094 0.044 0.000 1.022 103 V CA 0.526 62.907 62.300 0.135 0.000 1.067 103 V CB 0.564 32.487 31.823 0.167 0.000 0.967 103 V HN 0.368 nan 8.190 nan 0.000 0.479 104 L N 4.891 126.047 121.223 -0.110 0.000 2.381 104 L HA 0.540 4.887 4.340 0.012 0.000 0.268 104 L C -0.273 176.560 176.870 -0.061 0.000 0.997 104 L CA -1.081 53.740 54.840 -0.031 0.000 0.818 104 L CB 2.214 44.321 42.059 0.080 0.000 1.310 104 L HN 0.299 nan 8.230 nan 0.000 0.416 105 V N 3.695 123.617 119.914 0.013 0.000 2.617 105 V HA -0.048 4.079 4.120 0.012 0.000 0.304 105 V C -1.245 174.944 176.094 0.158 0.000 1.040 105 V CA -0.507 61.834 62.300 0.068 0.000 1.149 105 V CB 0.697 32.553 31.823 0.056 0.000 0.914 105 V HN 0.717 nan 8.190 nan 0.000 0.487 106 P HA -0.250 nan 4.420 nan 0.000 0.221 106 P C 1.595 178.906 177.300 0.018 0.000 1.160 106 P CA 1.345 64.455 63.100 0.016 0.000 0.933 106 P CB 0.082 31.781 31.700 -0.001 0.000 0.793 107 K N -2.039 118.378 120.400 0.028 0.000 2.281 107 K HA -0.126 4.201 4.320 0.012 0.000 0.203 107 K C 1.355 177.690 176.600 -0.442 0.000 1.046 107 K CA 1.105 57.212 56.287 -0.301 0.000 0.938 107 K CB -0.558 31.550 32.500 -0.654 0.000 0.737 107 K HN 0.370 nan 8.250 nan 0.000 0.458 108 W N -0.703 120.530 121.300 -0.113 0.000 2.991 108 W HA 0.375 5.041 4.660 0.009 0.000 0.391 108 W C -0.019 176.490 176.519 -0.017 0.000 1.054 108 W CA -0.439 56.828 57.345 -0.129 0.000 1.856 108 W CB 0.192 29.481 29.460 -0.284 0.000 1.132 108 W HN -0.097 nan 8.180 nan 0.000 0.601 109 A N 2.146 125.039 122.820 0.121 0.000 3.077 109 A HA 0.239 4.566 4.320 0.012 0.000 0.255 109 A C -0.363 177.253 177.584 0.053 0.000 1.728 109 A CA 0.388 52.475 52.037 0.083 0.000 1.383 109 A CB -1.199 17.774 19.000 -0.046 0.000 1.097 109 A HN 0.242 nan 8.150 nan 0.000 0.634 110 D N -3.160 117.283 120.400 0.071 0.000 2.531 110 D HA 0.383 5.030 4.640 0.012 0.000 0.244 110 D C 0.414 176.724 176.300 0.016 0.000 1.090 110 D CA -0.866 53.142 54.000 0.013 0.000 0.989 110 D CB 0.199 41.045 40.800 0.078 0.000 1.433 110 D HN 0.197 nan 8.370 nan 0.000 0.492 111 W N -0.181 121.148 121.300 0.048 0.000 2.374 111 W HA -0.039 4.652 4.660 0.052 0.000 0.288 111 W C 2.135 178.664 176.519 0.018 0.000 1.218 111 W CA 0.869 58.168 57.345 -0.077 0.000 1.245 111 W CB 0.129 29.531 29.460 -0.096 0.000 1.126 111 W HN 0.650 nan 8.180 nan 0.000 0.545 112 E N -0.281 120.126 120.200 0.345 0.000 2.051 112 E HA -0.321 4.036 4.350 0.012 0.000 0.192 112 E C 1.893 178.674 176.600 0.302 0.000 0.991 112 E CA 1.704 58.295 56.400 0.318 0.000 0.799 112 E CB -0.282 29.564 29.700 0.244 0.000 0.748 112 E HN 0.315 nan 8.360 nan 0.000 0.449 113 H N -0.860 118.331 119.070 0.201 0.000 2.428 113 H HA -0.068 4.495 4.556 0.012 0.000 0.296 113 H C 1.608 177.033 175.328 0.162 0.000 1.062 113 H CA 1.501 57.666 56.048 0.195 0.000 1.350 113 H CB -0.270 29.646 29.762 0.257 0.000 1.403 113 H HN 0.269 nan 8.280 nan 0.000 0.533 114 F N 0.260 120.212 119.950 0.004 0.000 2.075 114 F HA -0.240 4.295 4.527 0.014 0.000 0.297 114 F C 2.270 178.048 175.800 -0.036 0.000 1.113 114 F CA 1.797 59.751 58.000 -0.077 0.000 1.218 114 F CB -0.350 38.559 39.000 -0.151 0.000 0.984 114 F HN 0.267 nan 8.300 nan 0.000 0.472 115 H N 0.166 119.395 119.070 0.265 0.000 2.387 115 H HA -0.161 4.397 4.556 0.005 0.000 0.299 115 H C 2.189 177.477 175.328 -0.066 0.000 1.090 115 H CA 1.640 57.752 56.048 0.107 0.000 1.332 115 H CB -0.770 29.110 29.762 0.196 0.000 1.386 115 H HN 0.546 nan 8.280 nan 0.000 0.516 116 E N 0.937 121.163 120.200 0.042 0.000 2.077 116 E HA -0.128 4.229 4.350 0.012 0.000 0.193 116 E C 2.143 178.646 176.600 -0.162 0.000 0.989 116 E CA 0.757 57.130 56.400 -0.045 0.000 0.800 116 E CB -0.059 29.618 29.700 -0.038 0.000 0.746 116 E HN 0.351 nan 8.360 nan 0.000 0.452 117 L N 0.717 121.752 121.223 -0.313 0.000 2.109 117 L HA -0.110 4.237 4.340 0.012 0.000 0.207 117 L C 2.793 179.492 176.870 -0.286 0.000 1.086 117 L CA 1.351 56.001 54.840 -0.316 0.000 0.760 117 L CB -0.477 41.349 42.059 -0.388 0.000 0.910 117 L HN 0.306 nan 8.230 nan 0.000 0.437 118 E N 1.501 121.467 120.200 -0.390 0.000 2.077 118 E HA -0.263 4.094 4.350 0.012 0.000 0.193 118 E C 2.025 178.544 176.600 -0.135 0.000 0.989 118 E CA 1.511 57.716 56.400 -0.324 0.000 0.800 118 E CB 0.086 29.560 29.700 -0.377 0.000 0.746 118 E HN 0.530 nan 8.360 nan 0.000 0.452 119 K N 0.236 120.584 120.400 -0.086 0.000 2.365 119 K HA -0.077 4.250 4.320 0.012 0.000 0.199 119 K C 1.514 178.086 176.600 -0.046 0.000 1.045 119 K CA 0.892 57.153 56.287 -0.044 0.000 0.962 119 K CB 0.038 32.524 32.500 -0.023 0.000 0.759 119 K HN -0.019 nan 8.250 nan 0.000 0.469 120 K N 0.523 120.882 120.400 -0.068 0.000 2.444 120 K HA 0.066 4.393 4.320 0.012 0.000 0.193 120 K C 0.447 177.015 176.600 -0.053 0.000 1.024 120 K CA 0.437 56.691 56.287 -0.054 0.000 1.077 120 K CB 0.408 32.869 32.500 -0.064 0.000 0.833 120 K HN 0.463 nan 8.250 nan 0.000 0.517 121 G N 1.577 110.339 108.800 -0.063 0.000 2.198 121 G HA2 -0.212 3.755 3.960 0.012 0.000 0.257 121 G HA3 -0.212 3.755 3.960 0.012 0.000 0.257 121 G C 0.246 175.109 174.900 -0.062 0.000 1.042 121 G CA -0.194 44.876 45.100 -0.051 0.000 0.791 121 G HN 0.198 nan 8.290 nan 0.000 0.502 122 L N -1.022 120.141 121.223 -0.100 0.000 2.808 122 L HA 0.641 4.988 4.340 0.012 0.000 0.246 122 L C 0.773 177.564 176.870 -0.132 0.000 1.153 122 L CA 0.326 55.106 54.840 -0.100 0.000 0.956 122 L CB 0.219 42.215 42.059 -0.104 0.000 1.270 122 L HN 0.380 nan 8.230 nan 0.000 0.528 123 M N -0.279 119.210 119.600 -0.184 0.000 2.622 123 M HA 0.481 4.968 4.480 0.012 0.000 0.276 123 M C -1.444 174.788 176.300 -0.113 0.000 1.265 123 M CA -0.207 54.955 55.300 -0.230 0.000 0.850 123 M CB 2.816 35.037 32.600 -0.633 0.000 1.720 123 M HN -0.023 nan 8.290 nan 0.000 0.465 124 M N 1.704 121.366 119.600 0.103 0.000 2.414 124 M HA 0.343 4.830 4.480 0.012 0.000 0.287 124 M C -2.257 174.349 176.300 0.510 0.000 1.181 124 M CA -0.623 54.841 55.300 0.274 0.000 0.933 124 M CB 2.400 35.067 32.600 0.112 0.000 1.732 124 M HN 0.662 nan 8.290 nan 0.000 0.486 125 Y N 2.796 123.315 120.300 0.364 0.000 2.367 125 Y HA 0.585 5.132 4.550 -0.004 0.000 0.342 125 Y C 0.633 176.514 175.900 -0.030 0.000 0.979 125 Y CA -0.031 58.127 58.100 0.096 0.000 1.161 125 Y CB 1.675 40.123 38.460 -0.018 0.000 1.155 125 Y HN 0.793 nan 8.280 nan 0.000 0.503 126 G N 4.010 112.593 108.800 -0.360 0.000 3.042 126 G HA2 0.045 4.012 3.960 0.012 0.000 0.212 126 G HA3 0.045 4.012 3.960 0.012 0.000 0.212 126 G C 0.494 175.080 174.900 -0.523 0.000 1.166 126 G CA 0.143 44.966 45.100 -0.462 0.000 0.767 126 G HN 0.658 nan 8.290 nan 0.000 0.546 127 Q N -1.134 117.962 119.800 -1.174 0.000 1.795 127 Q HA -0.304 4.043 4.340 0.012 0.000 0.404 127 Q C 1.713 177.570 176.000 -0.239 0.000 0.847 127 Q CA 1.944 57.187 55.803 -0.933 0.000 0.799 127 Q CB -1.152 27.005 28.738 -0.969 0.000 3.822 127 Q HN 0.410 nan 8.270 nan 0.000 0.742 128 M N -1.543 117.944 119.600 -0.189 0.000 3.101 128 M HA 0.010 4.497 4.480 0.012 0.000 0.236 128 M C 1.834 177.805 176.300 -0.549 0.000 1.538 128 M CA 1.460 56.507 55.300 -0.421 0.000 1.309 128 M CB 0.116 32.526 32.600 -0.315 0.000 1.141 128 M HN 0.706 nan 8.290 nan 0.000 0.579 129 T N -1.698 112.845 114.554 -0.018 0.000 3.086 129 T HA 0.393 4.750 4.350 0.012 0.000 0.250 129 T C 1.453 176.311 174.700 0.263 0.000 1.074 129 T CA 0.424 62.613 62.100 0.147 0.000 0.988 129 T CB 0.060 69.101 68.868 0.287 0.000 0.988 129 T HN 0.222 nan 8.240 nan 0.000 0.530 130 A N 1.963 124.875 122.820 0.152 0.000 1.854 130 A HA 0.408 4.735 4.320 0.012 0.000 0.214 130 A C 2.512 180.156 177.584 0.101 0.000 1.192 130 A CA 1.168 53.228 52.037 0.039 0.000 0.611 130 A CB -1.331 17.482 19.000 -0.312 0.000 0.832 130 A HN 0.564 nan 8.150 nan 0.000 0.442 131 G N -0.635 108.179 108.800 0.023 0.000 2.813 131 G HA2 0.118 4.085 3.960 0.012 0.000 0.209 131 G HA3 0.118 4.085 3.960 0.012 0.000 0.209 131 G C 1.240 175.969 174.900 -0.284 0.000 1.150 131 G CA 1.216 46.287 45.100 -0.048 0.000 0.785 131 G HN 0.835 nan 8.290 nan 0.000 0.535 132 S N -1.177 114.463 115.700 -0.100 0.000 2.602 132 S HA 0.148 4.625 4.470 0.012 0.000 0.240 132 S C 0.295 174.976 174.600 0.136 0.000 0.992 132 S CA -0.619 57.498 58.200 -0.140 0.000 0.971 132 S CB -0.460 62.821 63.200 0.135 0.000 0.855 132 S HN 0.413 nan 8.310 nan 0.000 0.481 133 W N 0.740 122.232 121.300 0.321 0.000 6.905 133 W HA -0.184 4.480 4.660 0.007 0.000 0.419 133 W C 0.017 176.811 176.519 0.458 0.000 1.653 133 W CA -0.189 57.353 57.345 0.328 0.000 1.131 133 W CB -2.423 27.145 29.460 0.180 0.000 2.876 133 W HN 0.530 nan 8.180 nan 0.000 1.563 134 I N -0.309 120.577 120.570 0.526 0.000 3.554 134 I HA 0.216 4.393 4.170 0.012 0.000 0.321 134 I C -0.370 175.923 176.117 0.295 0.000 1.484 134 I CA -1.198 60.331 61.300 0.380 0.000 0.975 134 I CB -0.221 37.937 38.000 0.263 0.000 1.528 134 I HN -0.011 nan 8.210 nan 0.000 0.609 135 Y N 2.947 123.370 120.300 0.205 0.000 2.304 135 Y HA 0.531 5.092 4.550 0.018 0.000 0.328 135 Y C 0.851 176.813 175.900 0.104 0.000 1.123 135 Y CA -0.329 57.848 58.100 0.127 0.000 1.218 135 Y CB 0.954 39.524 38.460 0.183 0.000 1.207 135 Y HN 0.271 nan 8.280 nan 0.000 0.495 136 I N 3.537 123.829 120.570 -0.464 0.000 3.083 136 I HA 0.670 4.847 4.170 0.012 0.000 0.336 136 I C 0.459 176.322 176.117 -0.425 0.000 1.497 136 I CA -0.092 61.036 61.300 -0.287 0.000 0.936 136 I CB 0.005 37.918 38.000 -0.144 0.000 1.671 136 I HN 0.843 nan 8.210 nan 0.000 0.535 137 G N 1.811 110.135 108.800 -0.794 0.000 2.593 137 G HA2 -0.282 3.685 3.960 0.012 0.000 0.237 137 G HA3 -0.282 3.685 3.960 0.012 0.000 0.237 137 G C 0.383 174.961 174.900 -0.536 0.000 1.312 137 G CA 0.096 44.923 45.100 -0.454 0.000 0.896 137 G HN 0.342 nan 8.290 nan 0.000 0.574 138 S N -0.154 115.356 115.700 -0.316 0.000 2.447 138 S HA -0.081 4.396 4.470 0.012 0.000 0.233 138 S C 2.100 176.560 174.600 -0.234 0.000 1.006 138 S CA 1.705 59.650 58.200 -0.425 0.000 0.957 138 S CB -0.092 62.479 63.200 -1.049 0.000 0.773 138 S HN 0.649 nan 8.310 nan 0.000 0.507 139 Q N 1.058 120.836 119.800 -0.037 0.000 2.170 139 Q HA -0.122 4.225 4.340 0.012 0.000 0.203 139 Q C 2.219 178.246 176.000 0.047 0.000 0.976 139 Q CA 1.361 57.235 55.803 0.119 0.000 0.858 139 Q CB -0.515 28.304 28.738 0.134 0.000 0.907 139 Q HN 0.607 nan 8.270 nan 0.000 0.433 140 G N 1.378 110.118 108.800 -0.100 0.000 2.505 140 G HA2 -0.290 3.677 3.960 0.012 0.000 0.220 140 G HA3 -0.290 3.677 3.960 0.012 0.000 0.220 140 G C 1.302 176.226 174.900 0.039 0.000 1.145 140 G CA 0.980 46.031 45.100 -0.082 0.000 0.761 140 G HN 0.503 nan 8.290 nan 0.000 0.571 141 I N -0.134 120.460 120.570 0.041 0.000 3.860 141 I HA 0.216 4.393 4.170 0.012 0.000 0.319 141 I C 2.174 178.405 176.117 0.189 0.000 1.279 141 I CA -0.153 61.229 61.300 0.137 0.000 1.220 141 I CB 0.145 38.203 38.000 0.098 0.000 1.027 141 I HN 0.130 nan 8.210 nan 0.000 0.428 142 L N 1.161 122.496 121.223 0.186 0.000 1.990 142 L HA -0.307 4.040 4.340 0.012 0.000 0.213 142 L C 2.399 179.395 176.870 0.210 0.000 1.072 142 L CA 2.276 57.270 54.840 0.256 0.000 0.755 142 L CB -0.770 41.506 42.059 0.362 0.000 0.889 142 L HN 0.367 nan 8.230 nan 0.000 0.432 143 Q N -1.320 118.510 119.800 0.050 0.000 2.167 143 Q HA -0.122 4.225 4.340 0.012 0.000 0.202 143 Q C 2.040 177.777 176.000 -0.438 0.000 0.970 143 Q CA 1.331 56.823 55.803 -0.519 0.000 0.855 143 Q CB -0.380 27.672 28.738 -1.142 0.000 0.911 143 Q HN 0.653 nan 8.270 nan 0.000 0.438 144 G N -0.287 108.452 108.800 -0.103 0.000 2.446 144 G HA2 -0.260 3.707 3.960 0.012 0.000 0.217 144 G HA3 -0.260 3.707 3.960 0.012 0.000 0.217 144 G C 1.341 176.240 174.900 -0.002 0.000 1.168 144 G CA 1.353 46.433 45.100 -0.033 0.000 0.771 144 G HN 0.380 nan 8.290 nan 0.000 0.551 145 T N -0.262 114.369 114.554 0.128 0.000 2.857 145 T HA -0.116 4.241 4.350 0.012 0.000 0.266 145 T C 1.962 176.726 174.700 0.107 0.000 1.048 145 T CA 1.196 63.354 62.100 0.097 0.000 1.139 145 T CB -0.306 68.658 68.868 0.160 0.000 0.874 145 T HN 0.383 nan 8.240 nan 0.000 0.455 146 Y N 2.466 122.765 120.300 -0.001 0.000 2.145 146 Y HA -0.140 4.416 4.550 0.010 0.000 0.286 146 Y C 2.367 178.216 175.900 -0.085 0.000 1.145 146 Y CA 1.374 59.483 58.100 0.015 0.000 1.148 146 Y CB -0.266 38.222 38.460 0.047 0.000 0.981 146 Y HN 0.051 nan 8.280 nan 0.000 0.507 147 E N -0.344 119.649 120.200 -0.346 0.000 2.153 147 E HA -0.156 4.201 4.350 0.012 0.000 0.194 147 E C 2.152 178.514 176.600 -0.397 0.000 0.988 147 E CA 1.694 57.801 56.400 -0.488 0.000 0.811 147 E CB -0.527 28.809 29.700 -0.608 0.000 0.746 147 E HN 0.538 nan 8.360 nan 0.000 0.466 148 T N 0.836 115.201 114.554 -0.314 0.000 2.674 148 T HA -0.108 4.249 4.350 0.012 0.000 0.265 148 T C 1.668 175.987 174.700 -0.636 0.000 1.039 148 T CA 1.033 62.911 62.100 -0.371 0.000 1.150 148 T CB -0.362 68.304 68.868 -0.337 0.000 0.864 148 T HN 0.069 nan 8.240 nan 0.000 0.427 149 F N 1.514 121.190 119.950 -0.457 0.000 2.234 149 F HA 0.117 4.648 4.527 0.007 0.000 0.299 149 F C 2.568 178.113 175.800 -0.426 0.000 1.087 149 F CA 0.539 58.281 58.000 -0.431 0.000 1.340 149 F CB -0.767 38.060 39.000 -0.289 0.000 1.031 149 F HN 0.119 nan 8.300 nan 0.000 0.500 150 A N -0.174 122.431 122.820 -0.357 0.000 1.877 150 A HA -0.243 4.084 4.320 0.012 0.000 0.216 150 A C 2.096 179.520 177.584 -0.266 0.000 1.186 150 A CA 1.989 53.789 52.037 -0.396 0.000 0.620 150 A CB -0.756 17.838 19.000 -0.677 0.000 0.822 150 A HN 0.315 nan 8.150 nan 0.000 0.443 151 E N 0.059 120.081 120.200 -0.297 0.000 2.150 151 E HA -0.116 4.241 4.350 0.012 0.000 0.193 151 E C 1.814 178.284 176.600 -0.216 0.000 0.985 151 E CA 1.136 57.414 56.400 -0.203 0.000 0.814 151 E CB -0.455 29.161 29.700 -0.140 0.000 0.752 151 E HN 0.558 nan 8.360 nan 0.000 0.466 152 L N -0.466 120.471 121.223 -0.478 0.000 2.093 152 L HA -0.082 4.265 4.340 0.012 0.000 0.208 152 L C 2.237 179.104 176.870 -0.006 0.000 1.085 152 L CA 1.455 56.013 54.840 -0.470 0.000 0.755 152 L CB -0.445 41.094 42.059 -0.866 0.000 0.904 152 L HN 0.271 nan 8.230 nan 0.000 0.435 153 A N 0.150 122.978 122.820 0.012 0.000 1.877 153 A HA -0.241 4.086 4.320 0.012 0.000 0.216 153 A C 2.300 179.940 177.584 0.093 0.000 1.186 153 A CA 1.728 53.865 52.037 0.167 0.000 0.620 153 A CB -0.591 18.449 19.000 0.066 0.000 0.822 153 A HN 0.450 nan 8.150 nan 0.000 0.443 154 R N -0.840 119.657 120.500 -0.005 0.000 2.105 154 R HA -0.165 4.182 4.340 0.012 0.000 0.239 154 R C 2.470 178.730 176.300 -0.065 0.000 1.135 154 R CA 1.726 57.810 56.100 -0.028 0.000 0.967 154 R CB -0.279 29.992 30.300 -0.048 0.000 0.861 154 R HN 0.690 nan 8.270 nan 0.000 0.442 155 Q N -1.205 118.537 119.800 -0.096 0.000 2.123 155 Q HA -0.129 4.218 4.340 0.012 0.000 0.199 155 Q C 0.932 176.637 176.000 -0.491 0.000 0.966 155 Q CA 1.414 57.061 55.803 -0.260 0.000 0.845 155 Q CB 0.255 28.847 28.738 -0.243 0.000 0.907 155 Q HN 0.558 nan 8.270 nan 0.000 0.439 156 H N -3.190 115.749 119.070 -0.219 0.000 3.255 156 H HA 0.166 4.729 4.556 0.012 0.000 0.256 156 H C -0.323 174.536 175.328 -0.782 0.000 1.049 156 H CA 0.043 55.764 56.048 -0.546 0.000 1.202 156 H CB 0.795 30.057 29.762 -0.834 0.000 1.497 156 H HN 0.026 nan 8.280 nan 0.000 0.503 157 F N -0.099 119.900 119.950 0.082 0.000 2.818 157 F HA 0.392 4.926 4.527 0.011 0.000 0.369 157 F C 1.241 177.047 175.800 0.010 0.000 1.327 157 F CA -0.082 57.943 58.000 0.042 0.000 1.211 157 F CB 1.121 40.140 39.000 0.032 0.000 1.036 157 F HN 0.208 nan 8.300 nan 0.000 0.510 158 G N 0.258 109.113 108.800 0.092 0.000 2.196 158 G HA2 -0.115 3.852 3.960 0.012 0.000 0.268 158 G HA3 -0.115 3.852 3.960 0.012 0.000 0.268 158 G C 1.161 176.089 174.900 0.048 0.000 0.975 158 G CA 0.285 45.419 45.100 0.057 0.000 0.648 158 G HN 1.466 nan 8.290 nan 0.000 0.538 159 G N -2.310 106.527 108.800 0.061 0.000 2.135 159 G HA2 0.308 4.275 3.960 0.012 0.000 0.183 159 G HA3 0.308 4.275 3.960 0.012 0.000 0.183 159 G C 0.077 174.997 174.900 0.033 0.000 1.004 159 G CA 1.270 46.389 45.100 0.031 0.000 0.677 159 G HN 2.257 nan 8.290 nan 0.000 0.512 160 S N -1.466 114.268 115.700 0.058 0.000 2.558 160 S HA 0.560 5.037 4.470 0.012 0.000 0.277 160 S C 0.469 175.073 174.600 0.006 0.000 1.143 160 S CA -0.479 57.735 58.200 0.024 0.000 0.865 160 S CB 0.845 64.055 63.200 0.016 0.000 1.102 160 S HN 0.533 nan 8.310 nan 0.000 0.454 161 L N 2.282 123.469 121.223 -0.060 0.000 2.607 161 L HA 0.316 4.663 4.340 0.012 0.000 0.228 161 L C 1.160 177.930 176.870 -0.168 0.000 1.123 161 L CA 0.023 54.764 54.840 -0.166 0.000 0.890 161 L CB -0.146 41.801 42.059 -0.187 0.000 1.103 161 L HN 0.616 nan 8.230 nan 0.000 0.468 162 K N 1.205 121.548 120.400 -0.096 0.000 2.491 162 K HA 0.059 4.386 4.320 0.012 0.000 0.279 162 K C 1.071 177.614 176.600 -0.095 0.000 1.026 162 K CA 1.042 57.280 56.287 -0.082 0.000 1.070 162 K CB 0.217 32.691 32.500 -0.045 0.000 0.887 162 K HN 0.241 nan 8.250 nan 0.000 0.481 163 G N 2.493 111.232 108.800 -0.101 0.000 2.157 163 G HA2 -0.260 3.707 3.960 0.012 0.000 0.248 163 G HA3 -0.260 3.707 3.960 0.012 0.000 0.248 163 G C -0.014 174.798 174.900 -0.148 0.000 0.979 163 G CA 0.487 45.531 45.100 -0.094 0.000 0.650 163 G HN 0.907 nan 8.290 nan 0.000 0.529 164 T N -2.122 112.296 114.554 -0.228 0.000 2.912 164 T HA 0.760 5.117 4.350 0.012 0.000 0.288 164 T C -0.635 173.916 174.700 -0.249 0.000 1.030 164 T CA -0.814 61.092 62.100 -0.324 0.000 1.020 164 T CB 2.698 71.178 68.868 -0.646 0.000 1.056 164 T HN 1.177 nan 8.240 nan 0.000 0.480 165 L N 1.751 122.840 121.223 -0.223 0.000 2.325 165 L HA 0.677 5.024 4.340 0.012 0.000 0.281 165 L C -0.455 176.294 176.870 -0.201 0.000 1.004 165 L CA -0.047 54.684 54.840 -0.183 0.000 0.823 165 L CB 1.787 43.764 42.059 -0.138 0.000 1.236 165 L HN 0.944 nan 8.230 nan 0.000 0.415 166 T N 5.759 120.193 114.554 -0.199 0.000 2.824 166 T HA 0.610 4.967 4.350 0.012 0.000 0.280 166 T C -1.021 173.562 174.700 -0.194 0.000 0.995 166 T CA -0.264 61.728 62.100 -0.179 0.000 1.009 166 T CB 1.315 70.071 68.868 -0.188 0.000 0.955 166 T HN 0.529 nan 8.240 nan 0.000 0.452 167 L N 3.038 124.116 121.223 -0.241 0.000 2.341 167 L HA 0.847 5.194 4.340 0.012 0.000 0.278 167 L C -0.109 176.622 176.870 -0.231 0.000 1.005 167 L CA 0.264 54.927 54.840 -0.295 0.000 0.818 167 L CB 1.871 43.613 42.059 -0.529 0.000 1.259 167 L HN 0.742 nan 8.230 nan 0.000 0.418 168 T N 2.949 117.435 114.554 -0.113 0.000 2.645 168 T HA 0.945 5.302 4.350 0.012 0.000 0.300 168 T C -1.848 172.949 174.700 0.161 0.000 1.210 168 T CA 0.063 62.171 62.100 0.013 0.000 1.034 168 T CB 1.284 70.167 68.868 0.026 0.000 1.537 168 T HN 1.115 nan 8.240 nan 0.000 0.492 169 A N -0.662 122.279 122.820 0.200 0.000 2.612 169 A HA 0.806 5.133 4.320 0.012 0.000 0.293 169 A C 0.027 177.707 177.584 0.160 0.000 1.075 169 A CA 0.047 52.200 52.037 0.194 0.000 0.680 169 A CB 0.956 20.103 19.000 0.244 0.000 1.279 169 A HN 2.258 nan 8.150 nan 0.000 0.411 170 G N -0.250 108.619 108.800 0.115 0.000 3.251 170 G HA2 0.155 4.122 3.960 0.012 0.000 0.680 170 G HA3 0.155 4.122 3.960 0.012 0.000 0.680 170 G C -0.710 174.247 174.900 0.095 0.000 1.129 170 G CA -0.180 44.985 45.100 0.109 0.000 0.994 170 G HN 1.331 nan 8.290 nan 0.000 0.450 171 L N 2.802 124.070 121.223 0.074 0.000 2.935 171 L HA 0.485 4.832 4.340 0.012 0.000 0.243 171 L C 1.435 178.343 176.870 0.064 0.000 1.313 171 L CA -0.029 54.850 54.840 0.066 0.000 0.969 171 L CB 0.309 42.403 42.059 0.058 0.000 1.320 171 L HN 0.693 nan 8.230 nan 0.000 0.511 172 G N -0.493 108.355 108.800 0.080 0.000 2.574 172 G HA2 0.357 4.324 3.960 0.012 0.000 0.248 172 G HA3 0.357 4.324 3.960 0.012 0.000 0.248 172 G C 1.019 175.970 174.900 0.084 0.000 1.422 172 G CA 0.293 45.448 45.100 0.092 0.000 1.051 172 G HN 0.317 nan 8.290 nan 0.000 0.560 173 G N -0.774 108.103 108.800 0.128 0.000 2.418 173 G HA2 -0.150 3.817 3.960 0.012 0.000 0.217 173 G HA3 -0.150 3.817 3.960 0.012 0.000 0.217 173 G C 1.622 176.564 174.900 0.070 0.000 1.158 173 G CA 1.146 46.334 45.100 0.146 0.000 0.771 173 G HN 0.311 nan 8.290 nan 0.000 0.545 174 M N 0.447 120.098 119.600 0.086 0.000 2.429 174 M HA 0.160 4.647 4.480 0.012 0.000 0.265 174 M C 2.845 179.184 176.300 0.066 0.000 1.120 174 M CA 1.093 56.414 55.300 0.036 0.000 1.173 174 M CB -1.125 31.495 32.600 0.034 0.000 1.343 174 M HN 0.261 nan 8.290 nan 0.000 0.464 175 G N 0.234 109.097 108.800 0.104 0.000 2.470 175 G HA2 -0.106 3.861 3.960 0.012 0.000 0.220 175 G HA3 -0.106 3.861 3.960 0.012 0.000 0.220 175 G C 1.475 176.418 174.900 0.072 0.000 1.121 175 G CA 0.926 46.098 45.100 0.121 0.000 0.766 175 G HN 0.563 nan 8.290 nan 0.000 0.553 176 G N 0.541 109.352 108.800 0.017 0.000 2.535 176 G HA2 0.144 4.111 3.960 0.012 0.000 0.218 176 G HA3 0.144 4.111 3.960 0.012 0.000 0.218 176 G C 1.622 176.493 174.900 -0.048 0.000 1.122 176 G CA 1.102 46.189 45.100 -0.022 0.000 0.769 176 G HN 0.591 nan 8.290 nan 0.000 0.549 177 A N -0.189 122.600 122.820 -0.052 0.000 2.218 177 A HA 0.198 4.525 4.320 0.012 0.000 0.209 177 A C 2.157 179.821 177.584 0.133 0.000 1.168 177 A CA 0.803 52.870 52.037 0.049 0.000 0.804 177 A CB -0.086 18.936 19.000 0.036 0.000 0.834 177 A HN 0.427 nan 8.150 nan 0.000 0.482 178 Q N 0.365 120.222 119.800 0.094 0.000 2.020 178 Q HA -0.140 4.207 4.340 0.012 0.000 0.202 178 Q C -0.517 175.473 176.000 -0.016 0.000 0.982 178 Q CA 1.808 57.648 55.803 0.062 0.000 0.838 178 Q CB -1.121 27.655 28.738 0.064 0.000 0.899 178 Q HN 0.519 nan 8.270 nan 0.000 0.423 179 P HA -0.231 nan 4.420 nan 0.000 0.215 179 P C 1.489 178.773 177.300 -0.027 0.000 1.157 179 P CA 1.334 64.418 63.100 -0.026 0.000 0.874 179 P CB -0.126 31.587 31.700 0.021 0.000 0.790 180 L N -0.494 120.767 121.223 0.063 0.000 2.083 180 L HA -0.122 4.225 4.340 0.012 0.000 0.209 180 L C 2.518 179.415 176.870 0.046 0.000 1.083 180 L CA 1.581 56.450 54.840 0.047 0.000 0.752 180 L CB -0.593 41.534 42.059 0.113 0.000 0.899 180 L HN -0.011 nan 8.230 nan 0.000 0.433 181 S N -0.773 114.977 115.700 0.082 0.000 2.370 181 S HA -0.172 4.305 4.470 0.012 0.000 0.226 181 S C 1.872 176.447 174.600 -0.040 0.000 1.033 181 S CA 1.373 59.650 58.200 0.129 0.000 1.011 181 S CB -0.210 63.095 63.200 0.175 0.000 0.852 181 S HN 0.273 nan 8.310 nan 0.000 0.457 182 V N 1.162 120.893 119.914 -0.306 0.000 2.307 182 V HA -0.150 3.977 4.120 0.012 0.000 0.245 182 V C 2.585 178.552 176.094 -0.213 0.000 1.045 182 V CA 1.971 63.985 62.300 -0.477 0.000 1.024 182 V CB -1.226 30.239 31.823 -0.597 0.000 0.651 182 V HN 0.457 nan 8.190 nan 0.000 0.449 183 T N -0.151 114.317 114.554 -0.143 0.000 2.737 183 T HA -0.236 4.121 4.350 0.012 0.000 0.269 183 T C 1.785 176.460 174.700 -0.042 0.000 1.040 183 T CA 1.830 63.874 62.100 -0.093 0.000 1.142 183 T CB -0.313 68.504 68.868 -0.085 0.000 0.861 183 T HN 0.314 nan 8.240 nan 0.000 0.456 184 M N 0.795 120.405 119.600 0.018 0.000 2.460 184 M HA 0.018 4.505 4.480 0.012 0.000 0.263 184 M C 1.369 177.784 176.300 0.193 0.000 1.071 184 M CA 0.816 56.163 55.300 0.078 0.000 1.096 184 M CB -0.041 32.613 32.600 0.091 0.000 1.408 184 M HN 0.076 nan 8.290 nan 0.000 0.463 185 N N 0.549 119.325 118.700 0.126 0.000 2.268 185 N HA 0.031 4.778 4.740 0.012 0.000 0.204 185 N C -0.390 175.113 175.510 -0.012 0.000 1.124 185 N CA 0.325 53.415 53.050 0.067 0.000 0.838 185 N CB 0.390 38.851 38.487 -0.043 0.000 0.994 185 N HN 0.335 nan 8.380 nan 0.000 0.489 186 E N -1.392 118.794 120.200 -0.023 0.000 3.628 186 E HA -0.144 4.213 4.350 0.012 0.000 0.309 186 E C 0.528 177.074 176.600 -0.090 0.000 0.839 186 E CA 0.572 56.942 56.400 -0.051 0.000 1.123 186 E CB -1.363 28.317 29.700 -0.034 0.000 1.568 186 E HN 0.419 nan 8.360 nan 0.000 0.440 187 G N -0.193 108.532 108.800 -0.126 0.000 2.531 187 G HA2 0.592 4.559 3.960 0.012 0.000 0.313 187 G HA3 0.592 4.559 3.960 0.012 0.000 0.313 187 G C -0.299 174.504 174.900 -0.162 0.000 1.238 187 G CA -0.410 44.588 45.100 -0.169 0.000 0.994 187 G HN 0.034 nan 8.290 nan 0.000 0.493 188 V N -0.457 119.355 119.914 -0.169 0.000 2.513 188 V HA 0.659 4.786 4.120 0.012 0.000 0.299 188 V C -0.383 175.615 176.094 -0.161 0.000 1.035 188 V CA -0.638 61.580 62.300 -0.137 0.000 0.889 188 V CB 1.383 33.144 31.823 -0.103 0.000 0.988 188 V HN 0.619 nan 8.190 nan 0.000 0.440 189 V N 6.267 126.100 119.914 -0.134 0.000 2.971 189 V HA 0.637 4.764 4.120 0.012 0.000 0.309 189 V C -1.307 174.741 176.094 -0.077 0.000 1.130 189 V CA -0.434 61.783 62.300 -0.139 0.000 0.964 189 V CB 2.281 33.989 31.823 -0.193 0.000 1.029 189 V HN 0.760 nan 8.190 nan 0.000 0.427 190 I N 5.691 126.216 120.570 -0.075 0.000 2.382 190 I HA 0.718 4.895 4.170 0.012 0.000 0.286 190 I C 0.136 176.240 176.117 -0.021 0.000 1.002 190 I CA -0.563 60.719 61.300 -0.030 0.000 1.135 190 I CB 1.776 39.753 38.000 -0.037 0.000 1.288 190 I HN 0.796 nan 8.210 nan 0.000 0.448 191 A N 6.993 129.821 122.820 0.013 0.000 2.273 191 A HA 0.662 4.989 4.320 0.012 0.000 0.315 191 A C -0.489 177.131 177.584 0.061 0.000 1.256 191 A CA -0.486 51.574 52.037 0.038 0.000 0.851 191 A CB 0.869 19.890 19.000 0.034 0.000 1.172 191 A HN 0.437 nan 8.150 nan 0.000 0.508 192 V N 2.528 122.498 119.914 0.094 0.000 2.488 192 V HA 0.424 4.551 4.120 0.012 0.000 0.277 192 V C 0.124 176.240 176.094 0.038 0.000 1.046 192 V CA 0.004 62.345 62.300 0.068 0.000 0.986 192 V CB 0.939 32.809 31.823 0.079 0.000 0.989 192 V HN 0.955 nan 8.190 nan 0.000 0.475 193 E N 3.723 123.934 120.200 0.018 0.000 2.263 193 E HA 0.337 4.694 4.350 0.012 0.000 0.268 193 E C -0.246 176.347 176.600 -0.011 0.000 0.884 193 E CA -0.562 55.843 56.400 0.008 0.000 0.766 193 E CB 2.011 31.728 29.700 0.029 0.000 1.196 193 E HN 0.213 nan 8.360 nan 0.000 0.416 194 V N 3.138 123.029 119.914 -0.037 0.000 3.306 194 V HA 0.112 4.239 4.120 0.012 0.000 0.264 194 V C -0.270 175.815 176.094 -0.015 0.000 1.149 194 V CA 1.364 63.640 62.300 -0.041 0.000 1.143 194 V CB -0.024 31.751 31.823 -0.081 0.000 0.767 194 V HN 0.650 nan 8.190 nan 0.000 0.476 195 D N -0.277 120.121 120.400 -0.003 0.000 2.440 195 D HA 0.160 4.807 4.640 0.012 0.000 0.239 195 D C 0.929 177.241 176.300 0.020 0.000 1.084 195 D CA -0.279 53.727 54.000 0.010 0.000 0.843 195 D CB 1.831 42.638 40.800 0.012 0.000 1.097 195 D HN 0.308 nan 8.370 nan 0.000 0.531 196 E N 2.705 122.918 120.200 0.022 0.000 2.204 196 E HA -0.183 4.174 4.350 0.012 0.000 0.195 196 E C 1.042 177.662 176.600 0.033 0.000 0.990 196 E CA 1.046 57.463 56.400 0.028 0.000 0.821 196 E CB 0.370 30.086 29.700 0.026 0.000 0.750 196 E HN 0.390 nan 8.360 nan 0.000 0.477 197 K N -0.121 120.298 120.400 0.032 0.000 2.211 197 K HA -0.069 4.258 4.320 0.012 0.000 0.203 197 K C 2.168 178.793 176.600 0.042 0.000 1.050 197 K CA 0.698 57.007 56.287 0.036 0.000 0.945 197 K CB 0.096 32.616 32.500 0.034 0.000 0.732 197 K HN -0.000 nan 8.250 nan 0.000 0.451 198 R N 0.714 121.238 120.500 0.041 0.000 2.090 198 R HA 0.022 4.369 4.340 0.012 0.000 0.228 198 R C 2.231 178.562 176.300 0.051 0.000 1.110 198 R CA 0.992 57.121 56.100 0.047 0.000 0.973 198 R CB -0.451 29.875 30.300 0.043 0.000 0.869 198 R HN 0.262 nan 8.270 nan 0.000 0.440 199 I N 1.299 121.897 120.570 0.047 0.000 2.179 199 I HA -0.268 3.909 4.170 0.012 0.000 0.242 199 I C 1.614 177.764 176.117 0.055 0.000 1.088 199 I CA 1.397 62.728 61.300 0.051 0.000 1.357 199 I CB -0.431 37.598 38.000 0.049 0.000 1.051 199 I HN 0.048 nan 8.210 nan 0.000 0.409 200 D N 1.043 121.473 120.400 0.050 0.000 2.149 200 D HA -0.175 4.472 4.640 0.012 0.000 0.198 200 D C 2.139 178.473 176.300 0.058 0.000 0.990 200 D CA 1.069 55.098 54.000 0.049 0.000 0.839 200 D CB -0.255 40.571 40.800 0.043 0.000 0.948 200 D HN 0.245 nan 8.370 nan 0.000 0.460 201 K N 0.454 120.891 120.400 0.062 0.000 2.032 201 K HA -0.125 4.202 4.320 0.012 0.000 0.209 201 K C 2.200 178.856 176.600 0.093 0.000 1.048 201 K CA 0.911 57.242 56.287 0.074 0.000 0.927 201 K CB 0.004 32.547 32.500 0.071 0.000 0.712 201 K HN -0.052 nan 8.250 nan 0.000 0.441 202 R N 0.808 121.363 120.500 0.092 0.000 2.081 202 R HA -0.028 4.319 4.340 0.012 0.000 0.235 202 R C 2.235 178.615 176.300 0.133 0.000 1.131 202 R CA 0.897 57.074 56.100 0.129 0.000 0.960 202 R CB -0.536 29.827 30.300 0.105 0.000 0.856 202 R HN 0.188 nan 8.270 nan 0.000 0.436 203 I N 1.074 121.694 120.570 0.083 0.000 2.142 203 I HA -0.241 3.936 4.170 0.012 0.000 0.240 203 I C 1.800 177.945 176.117 0.046 0.000 1.078 203 I CA 1.603 62.934 61.300 0.053 0.000 1.343 203 I CB -1.115 36.907 38.000 0.037 0.000 1.046 203 I HN 0.289 nan 8.210 nan 0.000 0.405 204 E N 0.476 120.709 120.200 0.055 0.000 2.118 204 E HA -0.196 4.161 4.350 0.012 0.000 0.195 204 E C 1.796 178.430 176.600 0.057 0.000 0.992 204 E CA 1.907 58.336 56.400 0.048 0.000 0.804 204 E CB -0.203 29.529 29.700 0.054 0.000 0.741 204 E HN 0.596 nan 8.360 nan 0.000 0.458 205 T N -1.197 113.421 114.554 0.107 0.000 3.148 205 T HA 0.051 4.408 4.350 0.012 0.000 0.253 205 T C 0.506 175.233 174.700 0.045 0.000 1.134 205 T CA -0.101 62.088 62.100 0.147 0.000 1.051 205 T CB 0.096 69.152 68.868 0.314 0.000 0.959 205 T HN -0.081 nan 8.240 nan 0.000 0.525 206 K N -0.157 120.240 120.400 -0.005 0.000 3.192 206 K HA -0.195 4.132 4.320 0.012 0.000 0.278 206 K C -0.430 176.033 176.600 -0.227 0.000 1.164 206 K CA 0.596 56.810 56.287 -0.122 0.000 0.816 206 K CB -2.576 29.811 32.500 -0.189 0.000 1.256 206 K HN 0.611 nan 8.250 nan 0.000 0.497 207 Y N -1.477 118.810 120.300 -0.022 0.000 2.458 207 Y HA 0.203 4.765 4.550 0.020 0.000 0.256 207 Y C 0.984 176.872 175.900 -0.020 0.000 1.159 207 Y CA -0.097 57.993 58.100 -0.017 0.000 1.261 207 Y CB 1.015 39.479 38.460 0.006 0.000 1.119 207 Y HN 0.282 nan 8.280 nan 0.000 0.524 208 C N -0.034 119.315 119.300 0.080 0.000 2.891 208 C HA 0.259 4.726 4.460 0.012 0.000 0.342 208 C C 0.710 175.693 174.990 -0.012 0.000 1.126 208 C CA -0.809 58.231 59.018 0.036 0.000 1.322 208 C CB 0.619 28.395 27.740 0.060 0.000 1.763 208 C HN 0.376 nan 8.230 nan 0.000 0.491 209 D N 1.801 122.175 120.400 -0.044 0.000 2.084 209 D HA 0.053 4.700 4.640 0.012 0.000 0.199 209 D C 0.769 177.014 176.300 -0.092 0.000 0.981 209 D CA 1.258 55.207 54.000 -0.084 0.000 0.841 209 D CB 0.205 40.932 40.800 -0.121 0.000 0.997 209 D HN 0.625 nan 8.370 nan 0.000 0.454 210 R N -0.372 120.077 120.500 -0.085 0.000 2.930 210 R HA 0.601 4.948 4.340 0.012 0.000 0.257 210 R C -0.222 176.120 176.300 0.070 0.000 1.107 210 R CA -0.845 55.211 56.100 -0.072 0.000 0.999 210 R CB 2.179 32.302 30.300 -0.296 0.000 1.209 210 R HN -0.038 nan 8.270 nan 0.000 0.486 211 K N -0.409 120.088 120.400 0.161 0.000 2.536 211 K HA 0.651 4.978 4.320 0.012 0.000 0.269 211 K C -1.473 175.295 176.600 0.280 0.000 0.965 211 K CA -0.673 55.727 56.287 0.189 0.000 0.860 211 K CB 2.733 35.299 32.500 0.109 0.000 1.423 211 K HN 0.550 nan 8.250 nan 0.000 0.438 212 T N -0.798 113.857 114.554 0.169 0.000 2.907 212 T HA 0.512 4.869 4.350 0.012 0.000 0.344 212 T C -1.151 173.556 174.700 0.011 0.000 1.675 212 T CA 0.004 62.147 62.100 0.072 0.000 1.076 212 T CB 1.503 70.325 68.868 -0.078 0.000 1.483 212 T HN 0.772 nan 8.240 nan 0.000 0.487 213 A N 1.935 124.743 122.820 -0.019 0.000 2.390 213 A HA 0.571 4.898 4.320 0.012 0.000 0.232 213 A C 0.922 178.475 177.584 -0.051 0.000 1.233 213 A CA 0.301 52.325 52.037 -0.023 0.000 0.907 213 A CB 0.037 19.030 19.000 -0.012 0.000 0.967 213 A HN 0.812 nan 8.150 nan 0.000 0.512 214 S N 0.070 115.713 115.700 -0.096 0.000 2.422 214 S HA 0.479 4.956 4.470 0.012 0.000 0.308 214 S C 1.069 175.587 174.600 -0.136 0.000 1.097 214 S CA -0.629 57.499 58.200 -0.121 0.000 1.099 214 S CB 0.009 63.109 63.200 -0.166 0.000 0.976 214 S HN 0.317 nan 8.310 nan 0.000 0.471 215 I N 3.654 124.171 120.570 -0.089 0.000 2.226 215 I HA -0.123 4.054 4.170 0.012 0.000 0.245 215 I C 2.503 178.555 176.117 -0.108 0.000 1.100 215 I CA 1.059 62.315 61.300 -0.074 0.000 1.374 215 I CB -0.228 37.751 38.000 -0.036 0.000 1.057 215 I HN 0.593 nan 8.210 nan 0.000 0.413 216 E N 1.035 121.167 120.200 -0.114 0.000 2.038 216 E HA -0.294 4.063 4.350 0.012 0.000 0.195 216 E C 2.011 178.483 176.600 -0.213 0.000 1.000 216 E CA 1.716 58.039 56.400 -0.129 0.000 0.803 216 E CB -0.149 29.485 29.700 -0.110 0.000 0.750 216 E HN 0.418 nan 8.360 nan 0.000 0.448 217 E N -0.563 119.449 120.200 -0.314 0.000 2.058 217 E HA -0.238 4.119 4.350 0.012 0.000 0.194 217 E C 1.945 178.120 176.600 -0.707 0.000 0.997 217 E CA 1.158 57.205 56.400 -0.587 0.000 0.801 217 E CB -0.217 29.049 29.700 -0.723 0.000 0.746 217 E HN 0.281 nan 8.360 nan 0.000 0.450 218 A N 1.197 123.751 122.820 -0.443 0.000 1.865 218 A HA -0.194 4.133 4.320 0.012 0.000 0.217 218 A C 2.251 179.785 177.584 -0.084 0.000 1.191 218 A CA 1.488 53.403 52.037 -0.202 0.000 0.623 218 A CB -0.860 18.092 19.000 -0.080 0.000 0.826 218 A HN 0.350 nan 8.150 nan 0.000 0.444 219 L N -0.951 120.215 121.223 -0.096 0.000 2.127 219 L HA -0.225 4.122 4.340 0.012 0.000 0.211 219 L C 3.058 179.909 176.870 -0.032 0.000 1.089 219 L CA 1.045 55.857 54.840 -0.048 0.000 0.757 219 L CB -0.535 41.496 42.059 -0.047 0.000 0.899 219 L HN 0.487 nan 8.230 nan 0.000 0.434 220 A N -0.824 121.945 122.820 -0.085 0.000 1.929 220 A HA -0.189 4.138 4.320 0.012 0.000 0.216 220 A C 1.929 179.571 177.584 0.096 0.000 1.176 220 A CA 0.986 52.999 52.037 -0.040 0.000 0.628 220 A CB -0.630 18.302 19.000 -0.113 0.000 0.816 220 A HN 0.460 nan 8.150 nan 0.000 0.444 221 W N -0.213 121.071 121.300 -0.026 0.000 2.381 221 W HA 0.020 4.685 4.660 0.008 0.000 0.301 221 W C 2.795 179.291 176.519 -0.039 0.000 1.205 221 W CA 0.674 58.001 57.345 -0.030 0.000 1.285 221 W CB -1.164 28.278 29.460 -0.030 0.000 1.133 221 W HN 0.431 nan 8.180 nan 0.000 0.521 222 A N 0.180 123.117 122.820 0.196 0.000 1.877 222 A HA -0.230 4.097 4.320 0.012 0.000 0.216 222 A C 1.933 179.540 177.584 0.039 0.000 1.186 222 A CA 2.169 54.253 52.037 0.078 0.000 0.620 222 A CB -0.860 18.160 19.000 0.032 0.000 0.822 222 A HN 0.210 nan 8.150 nan 0.000 0.443 223 E N 0.187 120.410 120.200 0.038 0.000 2.058 223 E HA -0.237 4.120 4.350 0.012 0.000 0.194 223 E C 1.975 178.590 176.600 0.025 0.000 0.997 223 E CA 1.824 58.235 56.400 0.019 0.000 0.801 223 E CB -0.317 29.392 29.700 0.015 0.000 0.746 223 E HN 0.725 nan 8.360 nan 0.000 0.450 224 E N -0.529 119.702 120.200 0.052 0.000 2.058 224 E HA -0.245 4.112 4.350 0.012 0.000 0.194 224 E C 1.897 178.509 176.600 0.019 0.000 0.997 224 E CA 1.361 57.788 56.400 0.046 0.000 0.801 224 E CB -0.276 29.476 29.700 0.086 0.000 0.746 224 E HN 0.313 nan 8.360 nan 0.000 0.450 225 A N 1.257 124.086 122.820 0.016 0.000 1.897 225 A HA -0.134 4.193 4.320 0.012 0.000 0.215 225 A C 2.138 179.705 177.584 -0.027 0.000 1.181 225 A CA 1.456 53.483 52.037 -0.016 0.000 0.620 225 A CB -0.449 18.534 19.000 -0.028 0.000 0.821 225 A HN 0.225 nan 8.150 nan 0.000 0.443 226 K N -0.437 119.947 120.400 -0.026 0.000 2.152 226 K HA -0.078 4.249 4.320 0.012 0.000 0.206 226 K C 1.804 178.386 176.600 -0.030 0.000 1.048 226 K CA 1.175 57.438 56.287 -0.040 0.000 0.933 226 K CB -0.234 32.240 32.500 -0.043 0.000 0.721 226 K HN 0.494 nan 8.250 nan 0.000 0.447 227 L N 0.006 121.218 121.223 -0.017 0.000 2.022 227 L HA -0.052 4.295 4.340 0.012 0.000 0.204 227 L C 2.332 179.193 176.870 -0.015 0.000 1.076 227 L CA 1.059 55.892 54.840 -0.012 0.000 0.749 227 L CB -0.439 41.618 42.059 -0.004 0.000 0.903 227 L HN 0.198 nan 8.230 nan 0.000 0.439 228 A N -0.124 122.687 122.820 -0.015 0.000 2.272 228 A HA -0.022 4.305 4.320 0.012 0.000 0.213 228 A C 1.642 179.211 177.584 -0.026 0.000 1.183 228 A CA 0.976 53.001 52.037 -0.019 0.000 0.719 228 A CB -1.157 17.831 19.000 -0.021 0.000 0.771 228 A HN 0.673 nan 8.150 nan 0.000 0.484 229 G N -0.836 107.946 108.800 -0.029 0.000 2.225 229 G HA2 -0.295 3.672 3.960 0.012 0.000 0.267 229 G HA3 -0.295 3.672 3.960 0.012 0.000 0.267 229 G C 0.080 174.954 174.900 -0.043 0.000 1.024 229 G CA 0.831 45.910 45.100 -0.035 0.000 0.784 229 G HN 0.671 nan 8.290 nan 0.000 0.507 230 K N 0.783 121.154 120.400 -0.048 0.000 2.118 230 K HA 0.546 4.873 4.320 0.012 0.000 0.254 230 K C -2.262 174.297 176.600 -0.068 0.000 0.961 230 K CA -1.983 54.270 56.287 -0.056 0.000 0.876 230 K CB 2.135 34.599 32.500 -0.059 0.000 1.077 230 K HN 0.070 nan 8.250 nan 0.000 0.440 231 P HA 0.261 nan 4.420 nan 0.000 0.278 231 P C -0.949 176.296 177.300 -0.091 0.000 1.238 231 P CA -0.343 62.706 63.100 -0.085 0.000 0.794 231 P CB 1.094 32.746 31.700 -0.080 0.000 0.955 232 L N 1.367 122.533 121.223 -0.095 0.000 2.666 232 L HA 0.243 4.590 4.340 0.012 0.000 0.259 232 L C -0.992 175.828 176.870 -0.084 0.000 0.919 232 L CA -0.388 54.395 54.840 -0.095 0.000 0.927 232 L CB 2.178 44.183 42.059 -0.090 0.000 1.423 232 L HN 0.517 nan 8.230 nan 0.000 0.426 233 S N 4.457 120.110 115.700 -0.078 0.000 2.454 233 S HA 0.789 5.266 4.470 0.012 0.000 0.306 233 S C -0.740 173.849 174.600 -0.018 0.000 1.100 233 S CA -0.684 57.483 58.200 -0.054 0.000 1.087 233 S CB 1.802 64.971 63.200 -0.051 0.000 1.019 233 S HN 0.466 nan 8.310 nan 0.000 0.480 234 I N 2.288 122.872 120.570 0.023 0.000 2.447 234 I HA 0.523 4.700 4.170 0.012 0.000 0.287 234 I C 0.017 176.185 176.117 0.085 0.000 1.023 234 I CA -0.972 60.387 61.300 0.098 0.000 1.083 234 I CB 1.841 39.953 38.000 0.186 0.000 1.245 234 I HN 0.861 nan 8.210 nan 0.000 0.434 235 A N 6.916 129.794 122.820 0.096 0.000 2.309 235 A HA 0.600 4.927 4.320 0.012 0.000 0.290 235 A C -0.792 176.842 177.584 0.083 0.000 1.206 235 A CA -0.317 51.766 52.037 0.077 0.000 0.850 235 A CB 0.528 19.570 19.000 0.070 0.000 1.118 235 A HN 0.593 nan 8.150 nan 0.000 0.523 236 L N 4.104 125.363 121.223 0.060 0.000 2.276 236 L HA 0.390 4.737 4.340 0.012 0.000 0.286 236 L C -0.320 176.566 176.870 0.027 0.000 1.024 236 L CA -0.435 54.430 54.840 0.042 0.000 0.826 236 L CB 0.898 42.977 42.059 0.033 0.000 1.211 236 L HN 0.693 nan 8.230 nan 0.000 0.422 237 L N 6.148 127.384 121.223 0.021 0.000 2.534 237 L HA 0.533 4.880 4.340 0.012 0.000 0.271 237 L C 0.514 177.382 176.870 -0.003 0.000 1.178 237 L CA 0.825 55.671 54.840 0.011 0.000 0.907 237 L CB -0.188 41.878 42.059 0.012 0.000 1.164 237 L HN 0.916 nan 8.230 nan 0.000 0.482 238 G N 4.026 112.818 108.800 -0.013 0.000 2.324 238 G HA2 -0.054 3.913 3.960 0.012 0.000 0.293 238 G HA3 -0.054 3.913 3.960 0.012 0.000 0.293 238 G C -1.873 172.994 174.900 -0.055 0.000 1.297 238 G CA -0.767 44.317 45.100 -0.027 0.000 0.853 238 G HN 0.498 nan 8.290 nan 0.000 0.535 239 N N 0.537 119.196 118.700 -0.068 0.000 2.444 239 N HA 0.484 5.231 4.740 0.012 0.000 0.262 239 N C 1.360 176.770 175.510 -0.166 0.000 0.974 239 N CA 0.349 53.334 53.050 -0.107 0.000 0.933 239 N CB 1.728 40.177 38.487 -0.063 0.000 1.137 239 N HN 0.855 nan 8.380 nan 0.000 0.498 240 A N 4.096 126.741 122.820 -0.291 0.000 1.927 240 A HA -0.217 4.110 4.320 0.012 0.000 0.220 240 A C 2.091 179.319 177.584 -0.592 0.000 1.185 240 A CA 2.267 53.880 52.037 -0.706 0.000 0.639 240 A CB -0.777 17.710 19.000 -0.854 0.000 0.820 240 A HN 0.771 nan 8.150 nan 0.000 0.451 241 A N -0.762 121.951 122.820 -0.178 0.000 1.948 241 A HA -0.223 4.104 4.320 0.012 0.000 0.220 241 A C 2.081 179.712 177.584 0.078 0.000 1.177 241 A CA 2.017 54.080 52.037 0.044 0.000 0.636 241 A CB -0.395 18.727 19.000 0.204 0.000 0.815 241 A HN 0.752 nan 8.150 nan 0.000 0.449 242 E N -0.728 119.481 120.200 0.015 0.000 2.162 242 E HA -0.019 4.338 4.350 0.012 0.000 0.193 242 E C 1.841 178.477 176.600 0.060 0.000 0.953 242 E CA 0.831 57.262 56.400 0.051 0.000 0.849 242 E CB 0.063 29.775 29.700 0.018 0.000 0.810 242 E HN 0.257 nan 8.360 nan 0.000 0.470 243 V N 1.510 121.424 119.914 -0.001 0.000 2.332 243 V HA -0.265 3.862 4.120 0.012 0.000 0.248 243 V C 2.055 178.254 176.094 0.175 0.000 1.055 243 V CA 2.243 64.576 62.300 0.056 0.000 1.038 243 V CB -0.820 31.022 31.823 0.032 0.000 0.651 243 V HN 0.411 nan 8.190 nan 0.000 0.450 244 H N -1.719 117.340 119.070 -0.020 0.000 2.423 244 H HA -0.115 4.451 4.556 0.016 0.000 0.297 244 H C 2.294 177.617 175.328 -0.008 0.000 1.075 244 H CA 1.197 57.244 56.048 -0.002 0.000 1.342 244 H CB 0.066 29.764 29.762 -0.107 0.000 1.395 244 H HN 0.492 nan 8.280 nan 0.000 0.530 245 H N -0.222 118.933 119.070 0.142 0.000 2.470 245 H HA -0.028 4.534 4.556 0.009 0.000 0.289 245 H C 1.962 177.310 175.328 0.034 0.000 1.033 245 H CA 1.204 57.282 56.048 0.050 0.000 1.331 245 H CB 0.294 30.069 29.762 0.022 0.000 1.414 245 H HN 0.319 nan 8.280 nan 0.000 0.545 246 T N 1.199 115.847 114.554 0.156 0.000 2.770 246 T HA -0.042 4.315 4.350 0.012 0.000 0.263 246 T C 2.407 177.160 174.700 0.089 0.000 1.039 246 T CA 0.519 62.677 62.100 0.096 0.000 1.142 246 T CB -0.208 68.702 68.868 0.070 0.000 0.868 246 T HN 0.189 nan 8.240 nan 0.000 0.435 247 L N 0.512 121.811 121.223 0.127 0.000 2.131 247 L HA -0.039 4.308 4.340 0.012 0.000 0.210 247 L C 2.424 179.414 176.870 0.199 0.000 1.092 247 L CA 0.698 55.633 54.840 0.157 0.000 0.759 247 L CB -0.554 41.611 42.059 0.178 0.000 0.903 247 L HN 0.223 nan 8.230 nan 0.000 0.435 248 L N 0.143 121.432 121.223 0.111 0.000 2.005 248 L HA -0.125 4.222 4.340 0.012 0.000 0.207 248 L C 2.137 178.944 176.870 -0.105 0.000 1.072 248 L CA 1.794 56.504 54.840 -0.216 0.000 0.744 248 L CB -0.730 40.998 42.059 -0.552 0.000 0.895 248 L HN 0.207 nan 8.230 nan 0.000 0.433 249 N N 0.531 119.214 118.700 -0.028 0.000 2.520 249 N HA -0.153 4.594 4.740 0.012 0.000 0.185 249 N C 1.435 176.948 175.510 0.004 0.000 1.068 249 N CA 1.172 54.218 53.050 -0.007 0.000 0.911 249 N CB -0.275 38.225 38.487 0.021 0.000 0.961 249 N HN 0.604 nan 8.380 nan 0.000 0.446 250 R N -0.590 119.921 120.500 0.019 0.000 2.393 250 R HA 0.269 4.616 4.340 0.012 0.000 0.244 250 R C 0.848 177.163 176.300 0.025 0.000 0.920 250 R CA 0.478 56.590 56.100 0.020 0.000 1.076 250 R CB -0.141 30.174 30.300 0.024 0.000 1.119 250 R HN -0.098 nan 8.270 nan 0.000 0.524 251 G N 1.086 109.902 108.800 0.027 0.000 2.246 251 G HA2 -0.245 3.722 3.960 0.012 0.000 0.273 251 G HA3 -0.245 3.722 3.960 0.012 0.000 0.273 251 G C -0.028 174.911 174.900 0.065 0.000 1.055 251 G CA 0.185 45.308 45.100 0.038 0.000 0.851 251 G HN 0.197 nan 8.290 nan 0.000 0.500 252 V N 0.552 120.525 119.914 0.098 0.000 2.740 252 V HA 0.253 4.380 4.120 0.012 0.000 0.303 252 V C 1.077 177.236 176.094 0.108 0.000 1.054 252 V CA -0.286 62.065 62.300 0.085 0.000 1.106 252 V CB 1.568 33.437 31.823 0.077 0.000 0.957 252 V HN 0.291 nan 8.190 nan 0.000 0.486 253 K N 5.559 125.991 120.400 0.053 0.000 2.292 253 K HA 0.395 4.722 4.320 0.012 0.000 0.290 253 K C -0.752 175.846 176.600 -0.004 0.000 1.083 253 K CA 0.090 56.405 56.287 0.046 0.000 0.918 253 K CB 0.062 32.578 32.500 0.028 0.000 1.089 253 K HN 0.553 nan 8.250 nan 0.000 0.473 254 I N 4.238 124.798 120.570 -0.017 0.000 2.382 254 I HA 0.106 4.283 4.170 0.012 0.000 0.286 254 I C 0.950 177.006 176.117 -0.103 0.000 1.002 254 I CA -0.536 60.666 61.300 -0.164 0.000 1.135 254 I CB 1.716 39.419 38.000 -0.495 0.000 1.288 254 I HN 0.462 nan 8.210 nan 0.000 0.448 255 D N 6.061 126.406 120.400 -0.092 0.000 2.123 255 D HA 0.107 4.754 4.640 0.012 0.000 0.200 255 D C 0.523 176.855 176.300 0.053 0.000 0.976 255 D CA 1.623 55.623 54.000 -0.001 0.000 0.831 255 D CB 0.736 41.441 40.800 -0.158 0.000 0.974 255 D HN 0.342 nan 8.370 nan 0.000 0.469 256 I N 0.633 121.176 120.570 -0.046 0.000 2.619 256 I HA 0.228 4.405 4.170 0.012 0.000 0.292 256 I C -1.046 175.018 176.117 -0.087 0.000 1.100 256 I CA -0.750 60.571 61.300 0.035 0.000 1.043 256 I CB 3.218 41.320 38.000 0.171 0.000 1.239 256 I HN -0.380 nan 8.210 nan 0.000 0.420 257 V N 4.310 124.156 119.914 -0.112 0.000 2.577 257 V HA 0.672 4.799 4.120 0.012 0.000 0.303 257 V C -0.249 175.636 176.094 -0.350 0.000 1.042 257 V CA -0.288 61.853 62.300 -0.264 0.000 0.872 257 V CB 2.043 33.653 31.823 -0.356 0.000 0.998 257 V HN 0.875 nan 8.190 nan 0.000 0.423 258 T N 2.613 116.941 114.554 -0.378 0.000 2.647 258 T HA 0.659 5.016 4.350 0.012 0.000 0.295 258 T C -2.183 172.405 174.700 -0.186 0.000 1.126 258 T CA -0.312 61.447 62.100 -0.568 0.000 1.040 258 T CB 2.136 70.291 68.868 -1.188 0.000 1.472 258 T HN 0.892 nan 8.240 nan 0.000 0.500 259 D N -0.335 120.014 120.400 -0.086 0.000 2.717 259 D HA 0.408 5.055 4.640 0.012 0.000 0.223 259 D C -1.229 175.161 176.300 0.150 0.000 1.240 259 D CA -0.245 53.819 54.000 0.107 0.000 0.801 259 D CB 1.756 42.649 40.800 0.155 0.000 1.556 259 D HN 0.382 nan 8.370 nan 0.000 0.462 260 Q N 1.818 121.732 119.800 0.190 0.000 2.141 260 Q HA 0.212 4.559 4.340 0.012 0.000 0.295 260 Q C -0.570 175.550 176.000 0.201 0.000 0.870 260 Q CA -0.352 55.578 55.803 0.211 0.000 1.096 260 Q CB 0.710 29.599 28.738 0.251 0.000 1.288 260 Q HN 0.712 nan 8.270 nan 0.000 0.418 261 T N -2.781 111.902 114.554 0.215 0.000 2.732 261 T HA 0.259 4.616 4.350 0.012 0.000 0.287 261 T C 0.720 175.569 174.700 0.248 0.000 0.993 261 T CA -0.472 61.760 62.100 0.220 0.000 0.966 261 T CB 1.279 70.326 68.868 0.298 0.000 1.047 261 T HN -0.017 nan 8.240 nan 0.000 0.527 262 S N 0.686 116.536 115.700 0.250 0.000 3.513 262 S HA 0.430 4.907 4.470 0.012 0.000 0.209 262 S C 1.609 176.305 174.600 0.160 0.000 1.446 262 S CA -0.346 58.040 58.200 0.310 0.000 1.150 262 S CB -0.820 62.544 63.200 0.274 0.000 1.266 262 S HN 0.812 nan 8.310 nan 0.000 0.502 263 A N 1.898 124.831 122.820 0.189 0.000 2.125 263 A HA -0.149 4.178 4.320 0.012 0.000 0.219 263 A C 1.893 179.468 177.584 -0.015 0.000 1.156 263 A CA 1.184 53.246 52.037 0.043 0.000 0.671 263 A CB -0.657 18.334 19.000 -0.014 0.000 0.794 263 A HN 0.873 nan 8.150 nan 0.000 0.459 264 H N -1.458 117.647 119.070 0.058 0.000 2.521 264 H HA -0.018 4.539 4.556 0.001 0.000 0.286 264 H C -0.620 174.790 175.328 0.137 0.000 1.034 264 H CA 1.281 57.401 56.048 0.120 0.000 1.278 264 H CB -0.034 29.835 29.762 0.178 0.000 1.386 264 H HN 0.385 nan 8.280 nan 0.000 0.567 265 D N 0.693 120.589 120.400 -0.840 0.000 2.346 265 D HA 0.220 4.867 4.640 0.012 0.000 0.255 265 D C -2.138 173.784 176.300 -0.629 0.000 1.276 265 D CA -2.305 51.054 54.000 -1.069 0.000 0.941 265 D CB 1.599 41.623 40.800 -1.292 0.000 1.199 265 D HN -0.054 nan 8.370 nan 0.000 0.537 266 P HA -0.137 nan 4.420 nan 0.000 0.217 266 P C 1.513 178.785 177.300 -0.046 0.000 1.148 266 P CA 0.482 63.483 63.100 -0.165 0.000 0.828 266 P CB 0.437 32.076 31.700 -0.102 0.000 0.783 267 L N -1.547 119.540 121.223 -0.226 0.000 2.072 267 L HA -0.057 4.290 4.340 0.012 0.000 0.205 267 L C 1.954 178.570 176.870 -0.423 0.000 1.079 267 L CA 1.952 56.617 54.840 -0.290 0.000 0.752 267 L CB -0.640 41.180 42.059 -0.399 0.000 0.906 267 L HN -0.124 nan 8.230 nan 0.000 0.436 268 I N -1.279 119.086 120.570 -0.342 0.000 3.039 268 I HA 0.122 4.299 4.170 0.012 0.000 0.270 268 I C 2.251 178.294 176.117 -0.124 0.000 1.150 268 I CA 1.097 62.245 61.300 -0.253 0.000 1.448 268 I CB -1.658 36.209 38.000 -0.222 0.000 1.197 268 I HN 0.319 nan 8.210 nan 0.000 0.450 269 G N -0.570 108.143 108.800 -0.146 0.000 2.744 269 G HA2 -0.174 3.793 3.960 0.012 0.000 0.211 269 G HA3 -0.174 3.793 3.960 0.012 0.000 0.211 269 G C 0.154 175.115 174.900 0.102 0.000 1.143 269 G CA 0.382 45.461 45.100 -0.034 0.000 0.788 269 G HN 0.290 nan 8.290 nan 0.000 0.534 270 Y N -0.184 120.119 120.300 0.005 0.000 2.386 270 Y HA 0.490 5.053 4.550 0.022 0.000 0.334 270 Y C -0.844 175.098 175.900 0.069 0.000 1.002 270 Y CA -0.981 57.138 58.100 0.033 0.000 1.068 270 Y CB 2.159 40.619 38.460 0.000 0.000 1.203 270 Y HN -0.142 nan 8.280 nan 0.000 0.443 271 V N 8.541 128.319 119.914 -0.226 0.000 2.406 271 V HA 0.315 4.442 4.120 0.012 0.000 0.272 271 V C -2.045 173.999 176.094 -0.084 0.000 1.043 271 V CA -1.826 60.417 62.300 -0.096 0.000 0.915 271 V CB 0.891 32.652 31.823 -0.104 0.000 0.988 271 V HN 0.601 nan 8.190 nan 0.000 0.466 272 P HA 0.061 nan 4.420 nan 0.000 0.268 272 P C -0.132 177.254 177.300 0.143 0.000 1.205 272 P CA -0.160 62.927 63.100 -0.022 0.000 0.771 272 P CB 0.691 32.195 31.700 -0.325 0.000 0.858 273 E N 1.723 122.024 120.200 0.169 0.000 2.452 273 E HA 0.176 4.533 4.350 0.012 0.000 0.261 273 E C 1.023 177.718 176.600 0.158 0.000 0.987 273 E CA 0.599 57.080 56.400 0.135 0.000 0.926 273 E CB -0.564 29.196 29.700 0.100 0.000 0.934 273 E HN 0.790 nan 8.360 nan 0.000 0.452 274 G N 2.990 111.829 108.800 0.065 0.000 2.176 274 G HA2 -0.267 3.700 3.960 0.012 0.000 0.232 274 G HA3 -0.267 3.700 3.960 0.012 0.000 0.232 274 G C -0.677 174.108 174.900 -0.191 0.000 0.986 274 G CA 0.282 45.334 45.100 -0.081 0.000 0.643 274 G HN 0.488 nan 8.290 nan 0.000 0.522 275 Y N 1.539 121.822 120.300 -0.028 0.000 2.429 275 Y HA 0.660 5.222 4.550 0.020 0.000 0.342 275 Y C 0.907 176.800 175.900 -0.012 0.000 1.004 275 Y CA -0.574 57.516 58.100 -0.018 0.000 1.075 275 Y CB 1.825 40.275 38.460 -0.018 0.000 1.214 275 Y HN 0.365 nan 8.280 nan 0.000 0.455 276 S N 1.445 117.230 115.700 0.140 0.000 2.645 276 S HA 0.283 4.760 4.470 0.012 0.000 0.266 276 S C 0.945 175.605 174.600 0.099 0.000 1.258 276 S CA -0.637 57.613 58.200 0.083 0.000 0.990 276 S CB 0.554 63.785 63.200 0.053 0.000 0.967 276 S HN 0.750 nan 8.310 nan 0.000 0.556 277 L N 0.338 121.598 121.223 0.062 0.000 2.046 277 L HA -0.120 4.227 4.340 0.012 0.000 0.208 277 L C 2.266 179.173 176.870 0.060 0.000 1.077 277 L CA 1.541 56.414 54.840 0.054 0.000 0.747 277 L CB -0.690 41.389 42.059 0.033 0.000 0.896 277 L HN 0.675 nan 8.230 nan 0.000 0.432 278 D N 0.014 120.447 120.400 0.055 0.000 2.123 278 D HA -0.190 4.457 4.640 0.012 0.000 0.196 278 D C 2.117 178.461 176.300 0.073 0.000 0.992 278 D CA 1.270 55.300 54.000 0.051 0.000 0.833 278 D CB -0.030 40.794 40.800 0.041 0.000 0.954 278 D HN 0.424 nan 8.370 nan 0.000 0.455 279 E N 0.505 120.769 120.200 0.107 0.000 2.072 279 E HA -0.069 4.288 4.350 0.012 0.000 0.191 279 E C 2.094 178.801 176.600 0.179 0.000 0.985 279 E CA 0.872 57.369 56.400 0.162 0.000 0.801 279 E CB -0.014 29.819 29.700 0.221 0.000 0.750 279 E HN 0.172 nan 8.360 nan 0.000 0.452 280 A N 1.460 124.374 122.820 0.158 0.000 1.969 280 A HA -0.204 4.123 4.320 0.012 0.000 0.218 280 A C 1.587 179.247 177.584 0.127 0.000 1.169 280 A CA 1.498 53.608 52.037 0.122 0.000 0.635 280 A CB -0.244 18.835 19.000 0.132 0.000 0.810 280 A HN 0.094 nan 8.150 nan 0.000 0.445 281 D N -0.118 120.319 120.400 0.062 0.000 2.097 281 D HA -0.123 4.524 4.640 0.012 0.000 0.195 281 D C 2.229 178.527 176.300 -0.004 0.000 0.989 281 D CA 1.277 55.278 54.000 0.001 0.000 0.827 281 D CB -0.294 40.508 40.800 0.003 0.000 0.966 281 D HN 0.495 nan 8.370 nan 0.000 0.456 282 R N 0.400 120.919 120.500 0.033 0.000 2.075 282 R HA 0.014 4.361 4.340 0.012 0.000 0.232 282 R C 2.481 178.805 176.300 0.039 0.000 1.126 282 R CA 0.377 56.496 56.100 0.032 0.000 0.963 282 R CB -0.439 29.891 30.300 0.051 0.000 0.858 282 R HN 0.159 nan 8.270 nan 0.000 0.435 283 L N 1.065 122.333 121.223 0.077 0.000 2.042 283 L HA -0.212 4.135 4.340 0.012 0.000 0.210 283 L C 2.646 179.584 176.870 0.113 0.000 1.076 283 L CA 1.681 56.581 54.840 0.100 0.000 0.749 283 L CB -0.288 41.803 42.059 0.054 0.000 0.893 283 L HN 0.241 nan 8.230 nan 0.000 0.432 284 R N -0.590 119.930 120.500 0.033 0.000 2.066 284 R HA -0.179 4.168 4.340 0.012 0.000 0.232 284 R C 2.278 178.463 176.300 -0.191 0.000 1.131 284 R CA 1.564 57.490 56.100 -0.289 0.000 0.955 284 R CB -0.055 29.875 30.300 -0.616 0.000 0.851 284 R HN 0.526 nan 8.270 nan 0.000 0.432 285 Q N 0.099 119.830 119.800 -0.116 0.000 1.990 285 Q HA -0.153 4.194 4.340 0.012 0.000 0.200 285 Q C 1.691 177.660 176.000 -0.052 0.000 0.980 285 Q CA 1.611 57.363 55.803 -0.085 0.000 0.832 285 Q CB -0.103 28.604 28.738 -0.051 0.000 0.897 285 Q HN 0.373 nan 8.270 nan 0.000 0.427 286 D N 0.583 120.970 120.400 -0.021 0.000 2.097 286 D HA -0.085 4.562 4.640 0.012 0.000 0.197 286 D C 0.981 177.283 176.300 0.004 0.000 0.984 286 D CA 1.674 55.672 54.000 -0.002 0.000 0.826 286 D CB -0.115 40.694 40.800 0.015 0.000 0.973 286 D HN 0.324 nan 8.370 nan 0.000 0.460 287 T N -1.807 112.756 114.554 0.015 0.000 3.466 287 T HA 0.269 4.626 4.350 0.012 0.000 0.297 287 T C -2.101 172.622 174.700 0.038 0.000 1.640 287 T CA -1.482 60.634 62.100 0.027 0.000 1.631 287 T CB 1.869 70.762 68.868 0.042 0.000 0.928 287 T HN -0.125 nan 8.240 nan 0.000 0.688 288 P HA -0.191 nan 4.420 nan 0.000 0.216 288 P C 1.166 178.489 177.300 0.038 0.000 1.153 288 P CA 1.384 64.465 63.100 -0.032 0.000 0.858 288 P CB 0.422 32.058 31.700 -0.106 0.000 0.789 289 E N -0.108 120.116 120.200 0.040 0.000 2.072 289 E HA -0.102 4.255 4.350 0.012 0.000 0.191 289 E C 2.317 178.953 176.600 0.059 0.000 0.985 289 E CA 0.531 56.964 56.400 0.055 0.000 0.801 289 E CB -0.615 29.114 29.700 0.049 0.000 0.750 289 E HN 0.212 nan 8.360 nan 0.000 0.452 290 L N 0.444 121.700 121.223 0.054 0.000 2.046 290 L HA -0.207 4.140 4.340 0.012 0.000 0.208 290 L C 2.468 179.349 176.870 0.018 0.000 1.077 290 L CA 1.381 56.241 54.840 0.035 0.000 0.747 290 L CB -0.275 41.805 42.059 0.035 0.000 0.896 290 L HN 0.193 nan 8.230 nan 0.000 0.432 291 Y N 0.095 120.349 120.300 -0.077 0.000 2.081 291 Y HA -0.324 4.219 4.550 -0.012 0.000 0.280 291 Y C 2.431 178.273 175.900 -0.098 0.000 1.163 291 Y CA 2.427 60.454 58.100 -0.123 0.000 1.135 291 Y CB -0.384 37.993 38.460 -0.138 0.000 0.970 291 Y HN -0.054 nan 8.280 nan 0.000 0.498 292 V N 0.910 120.949 119.914 0.210 0.000 2.332 292 V HA -0.350 3.777 4.120 0.012 0.000 0.248 292 V C 2.409 178.508 176.094 0.008 0.000 1.055 292 V CA 2.300 64.671 62.300 0.119 0.000 1.038 292 V CB -0.651 31.228 31.823 0.093 0.000 0.651 292 V HN 0.391 nan 8.190 nan 0.000 0.450 293 R N -0.459 120.041 120.500 -0.000 0.000 2.073 293 R HA -0.112 4.235 4.340 0.012 0.000 0.234 293 R C 2.295 178.562 176.300 -0.054 0.000 1.134 293 R CA 1.507 57.598 56.100 -0.015 0.000 0.952 293 R CB -0.434 29.866 30.300 0.001 0.000 0.850 293 R HN 0.433 nan 8.270 nan 0.000 0.433 294 L N -0.073 121.085 121.223 -0.108 0.000 2.056 294 L HA -0.116 4.231 4.340 0.012 0.000 0.207 294 L C 2.701 179.479 176.870 -0.153 0.000 1.078 294 L CA 1.128 55.887 54.840 -0.135 0.000 0.749 294 L CB -0.588 41.338 42.059 -0.221 0.000 0.901 294 L HN 0.228 nan 8.230 nan 0.000 0.433 295 A N 0.344 123.029 122.820 -0.224 0.000 1.902 295 A HA -0.217 4.110 4.320 0.012 0.000 0.217 295 A C 2.337 179.838 177.584 -0.139 0.000 1.181 295 A CA 1.707 53.666 52.037 -0.131 0.000 0.623 295 A CB -0.342 18.617 19.000 -0.068 0.000 0.818 295 A HN 0.314 nan 8.150 nan 0.000 0.443 296 K N -0.687 119.645 120.400 -0.113 0.000 2.097 296 K HA -0.183 4.144 4.320 0.012 0.000 0.205 296 K C 2.377 178.918 176.600 -0.099 0.000 1.050 296 K CA 1.437 57.654 56.287 -0.116 0.000 0.938 296 K CB -0.148 32.318 32.500 -0.057 0.000 0.718 296 K HN 0.713 nan 8.250 nan 0.000 0.442 297 Q N 0.607 120.369 119.800 -0.064 0.000 2.084 297 Q HA -0.152 4.195 4.340 0.012 0.000 0.202 297 Q C 1.918 177.904 176.000 -0.023 0.000 0.978 297 Q CA 1.744 57.528 55.803 -0.032 0.000 0.844 297 Q CB 0.047 28.775 28.738 -0.016 0.000 0.898 297 Q HN 0.117 nan 8.270 nan 0.000 0.426 298 S N 0.087 115.775 115.700 -0.021 0.000 2.383 298 S HA -0.049 4.428 4.470 0.012 0.000 0.227 298 S C 1.834 176.414 174.600 -0.034 0.000 1.026 298 S CA 1.193 59.422 58.200 0.048 0.000 0.981 298 S CB -0.102 63.218 63.200 0.201 0.000 0.818 298 S HN 0.408 nan 8.310 nan 0.000 0.472 299 M N 0.943 120.359 119.600 -0.307 0.000 2.296 299 M HA -0.095 4.392 4.480 0.012 0.000 0.265 299 M C 2.175 178.393 176.300 -0.137 0.000 1.064 299 M CA 1.110 56.152 55.300 -0.430 0.000 1.109 299 M CB -0.290 31.934 32.600 -0.626 0.000 1.396 299 M HN 0.210 nan 8.290 nan 0.000 0.430 300 K N 1.134 121.491 120.400 -0.071 0.000 2.025 300 K HA -0.201 4.126 4.320 0.012 0.000 0.207 300 K C 2.031 178.680 176.600 0.082 0.000 1.049 300 K CA 1.477 57.762 56.287 -0.004 0.000 0.933 300 K CB -0.038 32.460 32.500 -0.004 0.000 0.714 300 K HN 0.121 nan 8.250 nan 0.000 0.438 301 K N -0.120 120.346 120.400 0.110 0.000 2.057 301 K HA -0.254 4.073 4.320 0.012 0.000 0.207 301 K C 2.099 178.916 176.600 0.362 0.000 1.049 301 K CA 1.914 58.328 56.287 0.212 0.000 0.931 301 K CB -0.273 32.311 32.500 0.140 0.000 0.714 301 K HN 0.409 nan 8.250 nan 0.000 0.440 302 H N -0.585 118.575 119.070 0.151 0.000 2.319 302 H HA -0.103 4.455 4.556 0.004 0.000 0.299 302 H C 1.781 177.185 175.328 0.126 0.000 1.092 302 H CA 1.633 57.767 56.048 0.142 0.000 1.302 302 H CB 0.218 30.047 29.762 0.111 0.000 1.373 302 H HN 0.037 nan 8.280 nan 0.000 0.497 303 V N 1.109 121.184 119.914 0.269 0.000 2.515 303 V HA -0.183 3.944 4.120 0.012 0.000 0.250 303 V C 1.987 178.203 176.094 0.203 0.000 1.058 303 V CA 1.939 64.366 62.300 0.212 0.000 1.064 303 V CB -0.373 31.516 31.823 0.109 0.000 0.675 303 V HN 0.511 nan 8.190 nan 0.000 0.461 304 E N 0.525 120.837 120.200 0.187 0.000 2.153 304 E HA -0.182 4.175 4.350 0.012 0.000 0.194 304 E C 2.324 178.980 176.600 0.093 0.000 0.988 304 E CA 1.267 57.764 56.400 0.162 0.000 0.811 304 E CB -0.278 29.544 29.700 0.203 0.000 0.746 304 E HN 0.626 nan 8.360 nan 0.000 0.466 305 A N 1.006 123.826 122.820 -0.000 0.000 1.898 305 A HA -0.144 4.183 4.320 0.012 0.000 0.216 305 A C 2.139 179.710 177.584 -0.022 0.000 1.181 305 A CA 1.105 52.985 52.037 -0.261 0.000 0.620 305 A CB -0.364 18.329 19.000 -0.513 0.000 0.819 305 A HN 0.117 nan 8.150 nan 0.000 0.442 306 M N -0.551 119.112 119.600 0.105 0.000 2.159 306 M HA -0.083 4.404 4.480 0.012 0.000 0.263 306 M C 2.002 178.283 176.300 -0.032 0.000 1.063 306 M CA 1.262 56.582 55.300 0.034 0.000 1.110 306 M CB -0.456 32.070 32.600 -0.123 0.000 1.374 306 M HN 0.350 nan 8.290 nan 0.000 0.411 307 L N -0.431 120.828 121.223 0.061 0.000 2.141 307 L HA -0.125 4.222 4.340 0.012 0.000 0.209 307 L C 2.818 179.717 176.870 0.048 0.000 1.094 307 L CA 0.890 55.798 54.840 0.112 0.000 0.763 307 L CB -0.811 41.351 42.059 0.172 0.000 0.908 307 L HN 0.290 nan 8.230 nan 0.000 0.437 308 A N -0.117 122.689 122.820 -0.023 0.000 1.898 308 A HA -0.194 4.133 4.320 0.012 0.000 0.216 308 A C 2.011 179.512 177.584 -0.138 0.000 1.181 308 A CA 1.340 53.309 52.037 -0.114 0.000 0.620 308 A CB -0.694 18.165 19.000 -0.234 0.000 0.819 308 A HN 0.262 nan 8.150 nan 0.000 0.442 309 F N 0.054 119.967 119.950 -0.062 0.000 2.134 309 F HA -0.181 4.352 4.527 0.010 0.000 0.299 309 F C 2.623 178.396 175.800 -0.045 0.000 1.097 309 F CA 1.719 59.678 58.000 -0.069 0.000 1.264 309 F CB -0.645 38.284 39.000 -0.118 0.000 1.001 309 F HN 0.388 nan 8.300 nan 0.000 0.479 310 Q N 0.237 120.115 119.800 0.130 0.000 2.030 310 Q HA -0.277 4.070 4.340 0.012 0.000 0.204 310 Q C 2.118 178.167 176.000 0.083 0.000 0.986 310 Q CA 2.018 57.873 55.803 0.088 0.000 0.843 310 Q CB -0.269 28.516 28.738 0.079 0.000 0.904 310 Q HN 0.458 nan 8.270 nan 0.000 0.420 311 Q N -0.069 119.771 119.800 0.067 0.000 2.297 311 Q HA -0.156 4.191 4.340 0.012 0.000 0.208 311 Q C 1.549 177.575 176.000 0.043 0.000 0.981 311 Q CA 1.142 56.976 55.803 0.051 0.000 0.876 311 Q CB 0.032 28.791 28.738 0.035 0.000 0.921 311 Q HN 0.193 nan 8.270 nan 0.000 0.446 312 K N -1.233 119.195 120.400 0.047 0.000 2.444 312 K HA 0.024 4.351 4.320 0.012 0.000 0.193 312 K C 0.624 177.271 176.600 0.079 0.000 1.024 312 K CA 0.578 56.897 56.287 0.052 0.000 1.077 312 K CB 0.452 32.980 32.500 0.046 0.000 0.833 312 K HN 0.323 nan 8.250 nan 0.000 0.517 313 G N 0.670 109.520 108.800 0.083 0.000 2.192 313 G HA2 -0.226 3.741 3.960 0.012 0.000 0.193 313 G HA3 -0.226 3.741 3.960 0.012 0.000 0.193 313 G C -0.100 174.853 174.900 0.087 0.000 0.999 313 G CA 0.188 45.335 45.100 0.079 0.000 0.659 313 G HN 0.336 nan 8.290 nan 0.000 0.503 314 S N 0.836 116.599 115.700 0.105 0.000 2.610 314 S HA 0.752 5.229 4.470 0.012 0.000 0.273 314 S C 0.366 174.999 174.600 0.054 0.000 1.274 314 S CA -0.918 57.334 58.200 0.087 0.000 1.023 314 S CB 1.891 65.129 63.200 0.063 0.000 0.962 314 S HN 0.338 nan 8.310 nan 0.000 0.523 315 I N 2.851 123.450 120.570 0.049 0.000 2.436 315 I HA 0.249 4.426 4.170 0.012 0.000 0.289 315 I C -0.240 175.941 176.117 0.106 0.000 1.083 315 I CA -0.258 61.047 61.300 0.008 0.000 1.372 315 I CB 0.042 37.971 38.000 -0.119 0.000 1.408 315 I HN 0.453 nan 8.210 nan 0.000 0.516 316 V N 8.213 128.195 119.914 0.113 0.000 2.680 316 V HA 0.632 4.759 4.120 0.012 0.000 0.309 316 V C -0.421 175.844 176.094 0.285 0.000 1.052 316 V CA -0.698 61.612 62.300 0.017 0.000 0.908 316 V CB 1.888 33.522 31.823 -0.315 0.000 1.001 316 V HN 0.601 nan 8.190 nan 0.000 0.431 317 F N 0.214 120.210 119.950 0.076 0.000 2.654 317 F HA 0.589 5.126 4.527 0.016 0.000 0.308 317 F C -0.978 175.104 175.800 0.470 0.000 1.108 317 F CA -1.155 57.080 58.000 0.391 0.000 0.957 317 F CB 1.424 40.658 39.000 0.391 0.000 1.309 317 F HN 0.517 nan 8.300 nan 0.000 0.446 318 D N 1.720 122.524 120.400 0.673 0.000 2.312 318 D HA 0.045 4.692 4.640 0.012 0.000 0.252 318 D C -1.100 175.545 176.300 0.574 0.000 1.150 318 D CA 0.116 54.403 54.000 0.479 0.000 0.870 318 D CB 0.848 41.842 40.800 0.323 0.000 1.153 318 D HN 0.838 nan 8.370 nan 0.000 0.457 319 Y N 2.816 123.234 120.300 0.196 0.000 2.897 319 Y HA 0.288 4.842 4.550 0.007 0.000 0.372 319 Y C 1.293 177.328 175.900 0.226 0.000 1.034 319 Y CA -0.011 58.192 58.100 0.171 0.000 1.627 319 Y CB -0.142 38.266 38.460 -0.087 0.000 1.474 319 Y HN 0.731 nan 8.280 nan 0.000 0.517 320 G N 2.043 111.028 108.800 0.309 0.000 2.221 320 G HA2 -0.390 3.577 3.960 0.012 0.000 0.265 320 G HA3 -0.390 3.577 3.960 0.012 0.000 0.265 320 G C 0.270 175.240 174.900 0.115 0.000 1.041 320 G CA 0.647 45.882 45.100 0.225 0.000 0.807 320 G HN 0.684 nan 8.290 nan 0.000 0.502 321 N N -0.237 118.538 118.700 0.125 0.000 2.177 321 N HA 0.141 4.888 4.740 0.012 0.000 0.218 321 N C 0.693 176.273 175.510 0.116 0.000 1.182 321 N CA -0.030 53.103 53.050 0.139 0.000 0.882 321 N CB -0.129 38.458 38.487 0.167 0.000 1.052 321 N HN 0.350 nan 8.380 nan 0.000 0.519 322 N N -0.002 118.736 118.700 0.063 0.000 2.741 322 N HA -0.200 4.547 4.740 0.012 0.000 0.251 322 N C 0.365 175.822 175.510 -0.089 0.000 1.112 322 N CA 0.700 53.731 53.050 -0.032 0.000 0.750 322 N CB -1.686 36.746 38.487 -0.092 0.000 1.119 322 N HN 0.575 nan 8.380 nan 0.000 0.561 323 I N -0.136 120.393 120.570 -0.068 0.000 2.286 323 I HA -0.245 3.932 4.170 0.012 0.000 0.248 323 I C 2.150 178.140 176.117 -0.212 0.000 1.115 323 I CA 1.226 62.447 61.300 -0.132 0.000 1.392 323 I CB -0.006 37.919 38.000 -0.125 0.000 1.065 323 I HN 0.280 nan 8.210 nan 0.000 0.418 324 R N -0.045 120.268 120.500 -0.311 0.000 2.091 324 R HA -0.267 4.080 4.340 0.012 0.000 0.238 324 R C 2.274 178.190 176.300 -0.640 0.000 1.136 324 R CA 1.776 57.484 56.100 -0.653 0.000 0.959 324 R CB -0.426 29.163 30.300 -1.185 0.000 0.856 324 R HN 0.360 nan 8.270 nan 0.000 0.437 325 Q N 0.678 120.252 119.800 -0.376 0.000 2.050 325 Q HA -0.106 4.241 4.340 0.012 0.000 0.202 325 Q C 1.995 177.945 176.000 -0.084 0.000 0.980 325 Q CA 1.597 57.346 55.803 -0.090 0.000 0.840 325 Q CB -0.143 28.521 28.738 -0.123 0.000 0.898 325 Q HN 0.141 nan 8.270 nan 0.000 0.424 326 V N 0.665 120.501 119.914 -0.130 0.000 2.392 326 V HA -0.273 3.854 4.120 0.012 0.000 0.249 326 V C 2.206 178.247 176.094 -0.088 0.000 1.059 326 V CA 1.755 63.997 62.300 -0.096 0.000 1.051 326 V CB -1.224 30.519 31.823 -0.134 0.000 0.658 326 V HN 0.502 nan 8.190 nan 0.000 0.455 327 A N 0.142 122.887 122.820 -0.125 0.000 1.872 327 A HA -0.191 4.136 4.320 0.012 0.000 0.214 327 A C 2.223 179.778 177.584 -0.048 0.000 1.187 327 A CA 1.965 53.948 52.037 -0.090 0.000 0.614 327 A CB -0.484 18.454 19.000 -0.104 0.000 0.826 327 A HN 0.454 nan 8.150 nan 0.000 0.442 328 K N 0.638 121.004 120.400 -0.057 0.000 2.020 328 K HA -0.204 4.123 4.320 0.012 0.000 0.212 328 K C 1.252 177.890 176.600 0.064 0.000 1.050 328 K CA 2.184 58.499 56.287 0.046 0.000 0.929 328 K CB -0.539 32.078 32.500 0.195 0.000 0.714 328 K HN 0.390 nan 8.250 nan 0.000 0.443 329 D N 0.450 120.887 120.400 0.062 0.000 2.265 329 D HA -0.133 4.514 4.640 0.012 0.000 0.208 329 D C 1.389 177.712 176.300 0.039 0.000 0.977 329 D CA 0.822 54.860 54.000 0.063 0.000 0.871 329 D CB 0.023 40.865 40.800 0.070 0.000 0.925 329 D HN 0.344 nan 8.370 nan 0.000 0.485 330 E N -0.854 119.357 120.200 0.019 0.000 2.442 330 E HA 0.126 4.483 4.350 0.012 0.000 0.195 330 E C 1.493 178.104 176.600 0.019 0.000 1.030 330 E CA 0.592 56.999 56.400 0.012 0.000 0.869 330 E CB 0.876 30.572 29.700 -0.006 0.000 0.857 330 E HN 0.365 nan 8.360 nan 0.000 0.505 331 G N 0.545 109.361 108.800 0.026 0.000 2.318 331 G HA2 -0.177 3.790 3.960 0.012 0.000 0.172 331 G HA3 -0.177 3.790 3.960 0.012 0.000 0.172 331 G C 0.240 175.160 174.900 0.033 0.000 1.002 331 G CA -0.307 44.811 45.100 0.030 0.000 0.697 331 G HN 0.210 nan 8.290 nan 0.000 0.483 332 L N 2.479 123.720 121.223 0.029 0.000 2.451 332 L HA 0.187 4.534 4.340 0.012 0.000 0.272 332 L C 1.527 178.425 176.870 0.046 0.000 1.258 332 L CA -0.333 54.527 54.840 0.034 0.000 1.132 332 L CB 0.376 42.447 42.059 0.021 0.000 1.361 332 L HN 0.175 nan 8.230 nan 0.000 0.438 333 E N 1.553 121.786 120.200 0.055 0.000 2.219 333 E HA -0.199 4.158 4.350 0.012 0.000 0.198 333 E C 0.993 177.645 176.600 0.087 0.000 0.998 333 E CA 1.071 57.512 56.400 0.069 0.000 0.818 333 E CB -0.038 29.695 29.700 0.056 0.000 0.741 333 E HN 0.736 nan 8.360 nan 0.000 0.477 334 N N -0.408 118.337 118.700 0.075 0.000 2.273 334 N HA 0.207 4.954 4.740 0.012 0.000 0.231 334 N C 1.101 176.644 175.510 0.056 0.000 1.134 334 N CA 0.519 53.620 53.050 0.084 0.000 0.856 334 N CB 0.351 38.888 38.487 0.083 0.000 1.068 334 N HN -0.028 nan 8.380 nan 0.000 0.510 335 A N 0.459 123.278 122.820 -0.001 0.000 1.986 335 A HA -0.062 4.265 4.320 0.012 0.000 0.220 335 A C 0.954 178.253 177.584 -0.476 0.000 1.171 335 A CA 0.821 52.739 52.037 -0.198 0.000 0.640 335 A CB -0.815 18.007 19.000 -0.296 0.000 0.811 335 A HN 0.280 nan 8.150 nan 0.000 0.451 336 F N 0.134 119.976 119.950 -0.179 0.000 2.701 336 F HA 0.127 4.662 4.527 0.014 0.000 0.295 336 F C 0.943 176.641 175.800 -0.169 0.000 1.165 336 F CA -0.174 57.678 58.000 -0.247 0.000 1.399 336 F CB 0.194 39.113 39.000 -0.136 0.000 0.996 336 F HN 0.119 nan 8.300 nan 0.000 0.513 337 D N 0.264 120.666 120.400 0.004 0.000 2.312 337 D HA -0.069 4.578 4.640 0.012 0.000 0.211 337 D C 0.292 176.719 176.300 0.212 0.000 0.964 337 D CA 0.894 54.973 54.000 0.131 0.000 0.877 337 D CB -0.026 40.884 40.800 0.183 0.000 0.924 337 D HN 0.226 nan 8.370 nan 0.000 0.515 338 F N -0.417 119.600 119.950 0.111 0.000 2.480 338 F HA 0.629 5.160 4.527 0.007 0.000 0.329 338 F C -2.544 173.351 175.800 0.158 0.000 1.091 338 F CA -3.151 54.926 58.000 0.128 0.000 0.972 338 F CB 0.499 39.575 39.000 0.127 0.000 1.150 338 F HN -0.310 nan 8.300 nan 0.000 0.467 339 P HA 0.302 nan 4.420 nan 0.000 0.276 339 P C -0.284 177.187 177.300 0.284 0.000 1.252 339 P CA -0.170 63.047 63.100 0.196 0.000 0.802 339 P CB 1.239 32.999 31.700 0.100 0.000 1.035 340 G N 0.127 109.046 108.800 0.198 0.000 2.476 340 G HA2 0.287 4.254 3.960 0.012 0.000 0.269 340 G HA3 0.287 4.254 3.960 0.012 0.000 0.269 340 G C 0.651 175.690 174.900 0.232 0.000 1.195 340 G CA -0.762 44.497 45.100 0.265 0.000 0.843 340 G HN 0.543 nan 8.290 nan 0.000 0.545 341 F N 1.103 121.244 119.950 0.318 0.000 2.250 341 F HA -0.088 4.446 4.527 0.012 0.000 0.301 341 F C 1.911 177.753 175.800 0.071 0.000 1.077 341 F CA 0.922 59.073 58.000 0.252 0.000 1.348 341 F CB -0.562 38.740 39.000 0.504 0.000 1.040 341 F HN 0.157 nan 8.300 nan 0.000 0.509 342 V N 2.400 121.933 119.914 -0.636 0.000 2.244 342 V HA -0.151 3.976 4.120 0.012 0.000 0.244 342 V C -0.014 175.938 176.094 -0.237 0.000 1.042 342 V CA 2.148 64.160 62.300 -0.480 0.000 1.006 342 V CB -1.883 29.673 31.823 -0.445 0.000 0.641 342 V HN 0.241 nan 8.190 nan 0.000 0.446 343 P HA -0.087 nan 4.420 nan 0.000 0.223 343 P C 1.252 178.446 177.300 -0.177 0.000 1.151 343 P CA 1.942 64.974 63.100 -0.113 0.000 0.787 343 P CB 0.094 31.763 31.700 -0.052 0.000 0.788 344 A N -1.803 120.828 122.820 -0.314 0.000 1.984 344 A HA 0.016 4.343 4.320 0.012 0.000 0.214 344 A C 1.410 178.540 177.584 -0.756 0.000 1.173 344 A CA 0.895 52.559 52.037 -0.621 0.000 0.673 344 A CB -0.639 17.779 19.000 -0.970 0.000 0.830 344 A HN 0.116 nan 8.150 nan 0.000 0.453 345 Y N -2.445 117.805 120.300 -0.082 0.000 2.640 345 Y HA 0.332 4.888 4.550 0.010 0.000 0.274 345 Y C 1.702 177.510 175.900 -0.154 0.000 1.164 345 Y CA -0.676 57.351 58.100 -0.121 0.000 1.189 345 Y CB 0.402 38.764 38.460 -0.164 0.000 1.333 345 Y HN 0.070 nan 8.280 nan 0.000 0.494 346 I N 0.277 120.821 120.570 -0.044 0.000 3.228 346 I HA 0.038 4.215 4.170 0.012 0.000 0.279 346 I C 2.248 178.097 176.117 -0.447 0.000 1.221 346 I CA 0.646 61.807 61.300 -0.231 0.000 1.458 346 I CB -0.678 37.198 38.000 -0.206 0.000 1.105 346 I HN 0.161 nan 8.210 nan 0.000 0.445 347 R N 1.882 122.177 120.500 -0.342 0.000 2.119 347 R HA -0.193 4.154 4.340 0.012 0.000 0.246 347 R C -0.560 175.556 176.300 -0.306 0.000 1.146 347 R CA 2.162 58.078 56.100 -0.306 0.000 0.962 347 R CB -1.101 29.076 30.300 -0.205 0.000 0.863 347 R HN 0.184 nan 8.270 nan 0.000 0.442 348 P HA -0.164 nan 4.420 nan 0.000 0.216 348 P C 0.911 178.117 177.300 -0.156 0.000 1.150 348 P CA 1.275 64.279 63.100 -0.159 0.000 0.837 348 P CB -0.029 31.611 31.700 -0.099 0.000 0.786 349 L N -2.686 118.422 121.223 -0.191 0.000 2.046 349 L HA -0.167 4.180 4.340 0.012 0.000 0.208 349 L C 2.246 179.104 176.870 -0.021 0.000 1.077 349 L CA 1.312 56.096 54.840 -0.094 0.000 0.747 349 L CB -0.967 41.061 42.059 -0.051 0.000 0.896 349 L HN -0.055 nan 8.230 nan 0.000 0.432 350 F N -0.379 119.484 119.950 -0.145 0.000 2.216 350 F HA -0.182 4.351 4.527 0.009 0.000 0.300 350 F C 2.555 178.079 175.800 -0.461 0.000 1.085 350 F CA 0.322 58.128 58.000 -0.322 0.000 1.326 350 F CB -1.523 37.185 39.000 -0.487 0.000 1.027 350 F HN 0.139 nan 8.300 nan 0.000 0.497 351 C N 0.011 119.156 119.300 -0.258 0.000 2.466 351 C HA -0.069 4.398 4.460 0.012 0.000 0.283 351 C C 2.106 177.040 174.990 -0.094 0.000 1.472 351 C CA 0.562 59.447 59.018 -0.221 0.000 1.765 351 C CB -1.105 26.543 27.740 -0.153 0.000 1.724 351 C HN 0.365 nan 8.230 nan 0.000 0.560 352 E N -0.452 119.719 120.200 -0.047 0.000 2.481 352 E HA 0.162 4.519 4.350 0.012 0.000 0.198 352 E C 1.605 178.226 176.600 0.035 0.000 1.027 352 E CA 0.701 57.101 56.400 0.001 0.000 0.900 352 E CB 0.182 29.891 29.700 0.015 0.000 0.993 352 E HN 0.569 nan 8.360 nan 0.000 0.482 353 G N 2.547 111.360 108.800 0.021 0.000 2.147 353 G HA2 -0.296 3.671 3.960 0.012 0.000 0.244 353 G HA3 -0.296 3.671 3.960 0.012 0.000 0.244 353 G C 0.169 175.095 174.900 0.043 0.000 1.005 353 G CA 0.442 45.569 45.100 0.046 0.000 0.713 353 G HN 0.158 nan 8.290 nan 0.000 0.515 354 K N -0.289 120.166 120.400 0.090 0.000 2.090 354 K HA 0.691 5.018 4.320 0.012 0.000 0.250 354 K C 0.670 177.292 176.600 0.037 0.000 1.004 354 K CA 0.198 56.545 56.287 0.100 0.000 0.919 354 K CB 1.428 34.071 32.500 0.239 0.000 1.045 354 K HN 0.818 nan 8.250 nan 0.000 0.471 355 G N 0.547 109.135 108.800 -0.353 0.000 2.328 355 G HA2 0.110 4.077 3.960 0.012 0.000 0.295 355 G HA3 0.110 4.077 3.960 0.012 0.000 0.295 355 G C -2.920 170.969 174.900 -1.685 0.000 1.413 355 G CA -0.899 43.567 45.100 -1.057 0.000 0.817 355 G HN 0.319 nan 8.290 nan 0.000 0.546 356 P HA 0.129 nan 4.420 nan 0.000 0.238 356 P C -0.126 176.991 177.300 -0.304 0.000 1.649 356 P CA -0.049 62.534 63.100 -0.861 0.000 0.960 356 P CB -0.632 30.918 31.700 -0.249 0.000 1.911 357 F N 3.214 122.930 119.950 -0.391 0.000 2.553 357 F HA 0.156 4.690 4.527 0.012 0.000 0.356 357 F C 1.092 176.863 175.800 -0.048 0.000 1.142 357 F CA 0.226 58.151 58.000 -0.125 0.000 1.322 357 F CB 0.643 39.627 39.000 -0.026 0.000 1.126 357 F HN 0.205 nan 8.300 nan 0.000 0.599 358 R N 3.813 124.016 120.500 -0.494 0.000 2.733 358 R HA 0.655 5.002 4.340 0.012 0.000 0.272 358 R C -2.347 173.758 176.300 -0.325 0.000 1.029 358 R CA -1.042 54.809 56.100 -0.416 0.000 0.888 358 R CB 1.446 31.584 30.300 -0.269 0.000 1.251 358 R HN 0.773 nan 8.270 nan 0.000 0.464 359 W N -0.512 120.666 121.300 -0.203 0.000 3.213 359 W HA 0.825 5.494 4.660 0.015 0.000 0.318 359 W C -2.070 174.398 176.519 -0.085 0.000 1.248 359 W CA -0.879 56.362 57.345 -0.173 0.000 1.187 359 W CB 1.244 30.609 29.460 -0.158 0.000 1.403 359 W HN 0.865 nan 8.180 nan 0.000 0.556 360 A N 1.665 124.581 122.820 0.159 0.000 2.414 360 A HA 0.904 5.231 4.320 0.012 0.000 0.306 360 A C -1.026 176.614 177.584 0.093 0.000 1.054 360 A CA -0.698 51.386 52.037 0.077 0.000 0.724 360 A CB 1.329 20.358 19.000 0.049 0.000 1.267 360 A HN 1.624 nan 8.150 nan 0.000 0.418 361 A N 2.017 124.851 122.820 0.023 0.000 2.316 361 A HA 0.522 4.849 4.320 0.012 0.000 0.311 361 A C 0.744 178.329 177.584 0.001 0.000 1.339 361 A CA -0.458 51.574 52.037 -0.008 0.000 0.960 361 A CB -0.502 18.456 19.000 -0.070 0.000 1.152 361 A HN 0.917 nan 8.150 nan 0.000 0.547 362 L N 2.497 123.741 121.223 0.035 0.000 2.349 362 L HA -0.200 4.147 4.340 0.012 0.000 0.220 362 L C 2.731 179.662 176.870 0.102 0.000 1.130 362 L CA 1.455 56.359 54.840 0.107 0.000 0.791 362 L CB -0.435 41.738 42.059 0.190 0.000 0.918 362 L HN 0.916 nan 8.230 nan 0.000 0.444 363 S N -0.281 115.436 115.700 0.028 0.000 2.368 363 S HA -0.092 4.385 4.470 0.012 0.000 0.225 363 S C 1.775 176.391 174.600 0.028 0.000 1.030 363 S CA 1.017 59.238 58.200 0.034 0.000 0.999 363 S CB -0.278 62.913 63.200 -0.016 0.000 0.844 363 S HN 0.536 nan 8.310 nan 0.000 0.459 364 G N 0.833 109.623 108.800 -0.016 0.000 2.176 364 G HA2 -0.196 3.771 3.960 0.012 0.000 0.232 364 G HA3 -0.196 3.771 3.960 0.012 0.000 0.232 364 G C -0.307 174.552 174.900 -0.067 0.000 0.986 364 G CA 0.166 45.247 45.100 -0.031 0.000 0.643 364 G HN 0.715 nan 8.290 nan 0.000 0.522 365 D N 0.902 121.255 120.400 -0.078 0.000 2.317 365 D HA 0.466 5.113 4.640 0.012 0.000 0.234 365 D C -0.169 176.020 176.300 -0.184 0.000 1.112 365 D CA -1.999 51.952 54.000 -0.082 0.000 0.840 365 D CB 1.718 42.499 40.800 -0.033 0.000 1.078 365 D HN 0.112 nan 8.370 nan 0.000 0.486 366 P HA -0.177 nan 4.420 nan 0.000 0.221 366 P C 1.047 178.053 177.300 -0.489 0.000 1.145 366 P CA 0.765 63.568 63.100 -0.496 0.000 0.795 366 P CB 0.238 31.822 31.700 -0.193 0.000 0.775 367 A N 0.738 123.500 122.820 -0.096 0.000 1.940 367 A HA -0.220 4.107 4.320 0.012 0.000 0.219 367 A C 2.089 179.676 177.584 0.004 0.000 1.176 367 A CA 2.053 54.144 52.037 0.090 0.000 0.631 367 A CB -1.255 17.808 19.000 0.105 0.000 0.814 367 A HN 0.092 nan 8.150 nan 0.000 0.446 368 D N -0.023 120.333 120.400 -0.074 0.000 2.117 368 D HA -0.132 4.515 4.640 0.012 0.000 0.197 368 D C 1.919 178.198 176.300 -0.035 0.000 0.987 368 D CA 1.096 55.065 54.000 -0.053 0.000 0.829 368 D CB -0.225 40.532 40.800 -0.072 0.000 0.961 368 D HN 0.351 nan 8.370 nan 0.000 0.460 369 I N 0.504 120.987 120.570 -0.145 0.000 2.202 369 I HA -0.249 3.928 4.170 0.012 0.000 0.242 369 I C 2.267 178.442 176.117 0.097 0.000 1.091 369 I CA 1.001 62.281 61.300 -0.032 0.000 1.368 369 I CB -1.243 36.615 38.000 -0.236 0.000 1.058 369 I HN 0.042 nan 8.210 nan 0.000 0.410 370 Y N 1.020 121.423 120.300 0.172 0.000 2.207 370 Y HA -0.232 4.325 4.550 0.012 0.000 0.287 370 Y C 2.785 178.746 175.900 0.101 0.000 1.156 370 Y CA 1.243 59.428 58.100 0.142 0.000 1.182 370 Y CB -1.048 37.478 38.460 0.109 0.000 0.979 370 Y HN 0.130 nan 8.280 nan 0.000 0.521 371 R N 0.781 121.403 120.500 0.203 0.000 2.092 371 R HA -0.107 4.240 4.340 0.012 0.000 0.231 371 R C 2.095 178.448 176.300 0.088 0.000 1.119 371 R CA 2.003 58.172 56.100 0.114 0.000 0.970 371 R CB -1.015 29.320 30.300 0.059 0.000 0.864 371 R HN 0.456 nan 8.270 nan 0.000 0.440 372 T N -2.170 112.453 114.554 0.115 0.000 2.951 372 T HA -0.020 4.337 4.350 0.012 0.000 0.268 372 T C 1.265 176.088 174.700 0.204 0.000 1.073 372 T CA 1.045 63.197 62.100 0.087 0.000 1.134 372 T CB -0.208 68.716 68.868 0.094 0.000 0.884 372 T HN 0.095 nan 8.240 nan 0.000 0.479 373 D N 2.051 122.613 120.400 0.271 0.000 2.117 373 D HA 0.055 4.702 4.640 0.012 0.000 0.198 373 D C 2.428 178.810 176.300 0.136 0.000 0.982 373 D CA 1.428 55.579 54.000 0.252 0.000 0.828 373 D CB -0.501 40.442 40.800 0.238 0.000 0.967 373 D HN 0.563 nan 8.370 nan 0.000 0.464 374 A N 0.916 123.797 122.820 0.102 0.000 1.929 374 A HA -0.065 4.262 4.320 0.012 0.000 0.216 374 A C 2.273 179.868 177.584 0.019 0.000 1.176 374 A CA 0.508 52.569 52.037 0.040 0.000 0.628 374 A CB -0.697 18.327 19.000 0.040 0.000 0.816 374 A HN 0.222 nan 8.150 nan 0.000 0.444 375 L N -0.562 120.676 121.223 0.025 0.000 1.990 375 L HA -0.213 4.134 4.340 0.012 0.000 0.213 375 L C 2.571 179.445 176.870 0.007 0.000 1.072 375 L CA 1.705 56.536 54.840 -0.014 0.000 0.755 375 L CB -0.375 41.650 42.059 -0.057 0.000 0.889 375 L HN 0.458 nan 8.230 nan 0.000 0.432 376 L N -0.144 121.133 121.223 0.089 0.000 1.997 376 L HA -0.352 3.995 4.340 0.012 0.000 0.216 376 L C 2.743 179.717 176.870 0.174 0.000 1.074 376 L CA 1.865 56.839 54.840 0.222 0.000 0.763 376 L CB -0.351 41.894 42.059 0.309 0.000 0.890 376 L HN 0.292 nan 8.230 nan 0.000 0.434 377 K N -0.484 119.903 120.400 -0.022 0.000 2.063 377 K HA -0.214 4.113 4.320 0.012 0.000 0.208 377 K C 1.902 178.500 176.600 -0.003 0.000 1.048 377 K CA 1.695 57.850 56.287 -0.220 0.000 0.928 377 K CB -0.151 32.111 32.500 -0.396 0.000 0.713 377 K HN 0.447 nan 8.250 nan 0.000 0.442 378 E N 0.903 121.089 120.200 -0.023 0.000 2.051 378 E HA -0.180 4.177 4.350 0.012 0.000 0.192 378 E C 2.072 178.616 176.600 -0.095 0.000 0.991 378 E CA 1.069 57.449 56.400 -0.033 0.000 0.799 378 E CB -0.157 29.513 29.700 -0.050 0.000 0.748 378 E HN 0.227 nan 8.360 nan 0.000 0.449 379 L N -0.370 120.730 121.223 -0.206 0.000 2.141 379 L HA -0.089 4.258 4.340 0.012 0.000 0.209 379 L C 0.650 177.046 176.870 -0.791 0.000 1.094 379 L CA 0.789 55.297 54.840 -0.553 0.000 0.763 379 L CB 0.059 41.638 42.059 -0.799 0.000 0.908 379 L HN 0.067 nan 8.230 nan 0.000 0.437 380 F N -0.776 119.239 119.950 0.109 0.000 2.564 380 F HA 0.283 4.818 4.527 0.012 0.000 0.329 380 F C -1.548 174.423 175.800 0.284 0.000 1.458 380 F CA -1.534 56.560 58.000 0.157 0.000 1.117 380 F CB 0.285 39.384 39.000 0.165 0.000 1.383 380 F HN -0.154 nan 8.300 nan 0.000 0.571 381 P HA -0.091 nan 4.420 nan 0.000 0.231 381 P C 0.957 178.315 177.300 0.097 0.000 1.158 381 P CA 1.231 64.497 63.100 0.275 0.000 0.763 381 P CB 0.250 32.035 31.700 0.141 0.000 0.805 382 T N -1.770 112.836 114.554 0.087 0.000 3.034 382 T HA 0.015 4.372 4.350 0.012 0.000 0.248 382 T C 1.103 175.772 174.700 -0.052 0.000 1.040 382 T CA -0.044 62.059 62.100 0.005 0.000 1.107 382 T CB -0.540 68.358 68.868 0.051 0.000 0.932 382 T HN 0.082 nan 8.240 nan 0.000 0.474 383 N N 2.663 121.369 118.700 0.010 0.000 2.416 383 N HA 0.017 4.764 4.740 0.012 0.000 0.291 383 N C 0.902 176.357 175.510 -0.092 0.000 1.257 383 N CA 0.181 53.247 53.050 0.025 0.000 1.043 383 N CB 0.316 38.897 38.487 0.157 0.000 1.441 383 N HN 0.409 nan 8.380 nan 0.000 0.490 384 K N 1.695 122.031 120.400 -0.108 0.000 2.057 384 K HA -0.142 4.185 4.320 0.012 0.000 0.207 384 K C 1.857 178.483 176.600 0.043 0.000 1.049 384 K CA 1.521 57.750 56.287 -0.098 0.000 0.931 384 K CB -0.013 32.456 32.500 -0.051 0.000 0.714 384 K HN 0.468 nan 8.250 nan 0.000 0.440 385 A N 1.926 124.788 122.820 0.071 0.000 1.908 385 A HA -0.172 4.155 4.320 0.012 0.000 0.218 385 A C 2.092 179.800 177.584 0.207 0.000 1.181 385 A CA 1.157 53.269 52.037 0.126 0.000 0.627 385 A CB -0.568 18.486 19.000 0.090 0.000 0.818 385 A HN 0.213 nan 8.150 nan 0.000 0.445 386 L N -0.293 121.061 121.223 0.219 0.000 2.017 386 L HA -0.176 4.171 4.340 0.012 0.000 0.208 386 L C 2.274 179.371 176.870 0.379 0.000 1.073 386 L CA 2.364 57.384 54.840 0.300 0.000 0.745 386 L CB -1.529 40.686 42.059 0.261 0.000 0.894 386 L HN 0.595 nan 8.230 nan 0.000 0.432 387 H N -0.672 118.492 119.070 0.156 0.000 2.353 387 H HA -0.155 4.408 4.556 0.011 0.000 0.300 387 H C 2.345 177.721 175.328 0.079 0.000 1.090 387 H CA 1.225 57.345 56.048 0.120 0.000 1.327 387 H CB 0.256 30.075 29.762 0.094 0.000 1.383 387 H HN 0.333 nan 8.280 nan 0.000 0.508 388 R N 0.318 120.953 120.500 0.225 0.000 2.081 388 R HA -0.165 4.182 4.340 0.012 0.000 0.235 388 R C 2.390 178.726 176.300 0.060 0.000 1.131 388 R CA 1.290 57.462 56.100 0.119 0.000 0.960 388 R CB -0.278 30.098 30.300 0.126 0.000 0.856 388 R HN 0.522 nan 8.270 nan 0.000 0.436 389 W N 1.286 122.599 121.300 0.022 0.000 2.354 389 W HA -0.212 4.453 4.660 0.009 0.000 0.315 389 W C 1.756 178.252 176.519 -0.038 0.000 1.206 389 W CA 1.234 58.548 57.345 -0.052 0.000 1.290 389 W CB -0.441 29.016 29.460 -0.006 0.000 1.152 389 W HN 0.088 nan 8.180 nan 0.000 0.489 390 I N 1.307 121.736 120.570 -0.234 0.000 2.361 390 I HA -0.317 3.860 4.170 0.012 0.000 0.251 390 I C 1.902 177.840 176.117 -0.299 0.000 1.133 390 I CA 2.031 63.167 61.300 -0.273 0.000 1.413 390 I CB -0.506 37.524 38.000 0.051 0.000 1.073 390 I HN -0.141 nan 8.210 nan 0.000 0.424 391 D N 0.354 120.626 120.400 -0.214 0.000 2.117 391 D HA -0.181 4.466 4.640 0.012 0.000 0.198 391 D C 2.275 178.398 176.300 -0.294 0.000 0.982 391 D CA 1.362 55.252 54.000 -0.184 0.000 0.828 391 D CB -0.140 40.602 40.800 -0.096 0.000 0.967 391 D HN 0.348 nan 8.370 nan 0.000 0.464 392 M N 0.371 119.719 119.600 -0.419 0.000 2.086 392 M HA -0.150 4.337 4.480 0.012 0.000 0.261 392 M C 2.269 178.203 176.300 -0.611 0.000 1.067 392 M CA 1.318 56.319 55.300 -0.498 0.000 1.116 392 M CB -0.171 32.066 32.600 -0.605 0.000 1.348 392 M HN -0.018 nan 8.290 nan 0.000 0.407 393 A N -0.286 121.997 122.820 -0.895 0.000 1.865 393 A HA -0.261 4.066 4.320 0.012 0.000 0.217 393 A C 1.975 179.314 177.584 -0.408 0.000 1.191 393 A CA 1.923 53.527 52.037 -0.723 0.000 0.623 393 A CB -0.983 17.546 19.000 -0.784 0.000 0.826 393 A HN 0.583 nan 8.150 nan 0.000 0.444 394 Q N -0.741 118.877 119.800 -0.304 0.000 2.170 394 Q HA -0.236 4.111 4.340 0.012 0.000 0.203 394 Q C 2.047 177.921 176.000 -0.210 0.000 0.976 394 Q CA 1.848 57.551 55.803 -0.166 0.000 0.858 394 Q CB -0.080 28.631 28.738 -0.045 0.000 0.907 394 Q HN 0.857 nan 8.270 nan 0.000 0.433 395 E N -0.535 119.518 120.200 -0.244 0.000 2.086 395 E HA -0.123 4.234 4.350 0.012 0.000 0.190 395 E C 1.417 177.870 176.600 -0.245 0.000 0.975 395 E CA 0.651 56.918 56.400 -0.222 0.000 0.813 395 E CB 0.318 29.898 29.700 -0.201 0.000 0.768 395 E HN 0.066 nan 8.360 nan 0.000 0.457 396 K N 0.229 120.454 120.400 -0.293 0.000 2.352 396 K HA 0.161 4.488 4.320 0.012 0.000 0.194 396 K C 0.082 176.466 176.600 -0.360 0.000 1.038 396 K CA 0.094 56.201 56.287 -0.300 0.000 1.023 396 K CB 1.152 33.477 32.500 -0.291 0.000 0.840 396 K HN 0.016 nan 8.250 nan 0.000 0.519 397 V N 2.974 122.665 119.914 -0.372 0.000 2.406 397 V HA 0.122 4.249 4.120 0.012 0.000 0.272 397 V C 0.080 175.908 176.094 -0.443 0.000 1.043 397 V CA -0.209 61.856 62.300 -0.391 0.000 0.915 397 V CB 1.166 32.817 31.823 -0.287 0.000 0.988 397 V HN 0.070 nan 8.190 nan 0.000 0.466 398 T N 6.361 120.698 114.554 -0.362 0.000 2.767 398 T HA 0.506 4.863 4.350 0.012 0.000 0.288 398 T C -0.068 174.546 174.700 -0.143 0.000 0.963 398 T CA -0.183 61.750 62.100 -0.279 0.000 1.019 398 T CB 0.270 69.048 68.868 -0.151 0.000 0.923 398 T HN 0.266 nan 8.240 nan 0.000 0.468 399 F N 2.393 122.348 119.950 0.008 0.000 2.589 399 F HA 0.189 4.721 4.527 0.010 0.000 0.352 399 F C 1.261 177.083 175.800 0.036 0.000 1.168 399 F CA -0.192 57.814 58.000 0.011 0.000 1.353 399 F CB 0.229 39.221 39.000 -0.013 0.000 1.116 399 F HN 0.408 nan 8.300 nan 0.000 0.608 400 Q N 0.900 120.861 119.800 0.268 0.000 2.292 400 Q HA 0.498 4.845 4.340 0.012 0.000 0.270 400 Q C 0.440 176.513 176.000 0.123 0.000 1.024 400 Q CA -0.236 55.667 55.803 0.167 0.000 0.768 400 Q CB 2.169 30.991 28.738 0.139 0.000 1.250 400 Q HN 0.944 nan 8.270 nan 0.000 0.447 401 G N 1.889 110.752 108.800 0.106 0.000 2.574 401 G HA2 -0.322 3.645 3.960 0.012 0.000 0.286 401 G HA3 -0.322 3.645 3.960 0.012 0.000 0.286 401 G C -0.273 174.649 174.900 0.038 0.000 1.212 401 G CA -0.536 44.612 45.100 0.081 0.000 0.979 401 G HN 0.540 nan 8.290 nan 0.000 0.557 402 L N 2.382 123.621 121.223 0.026 0.000 2.499 402 L HA 0.263 4.610 4.340 0.012 0.000 0.273 402 L C -1.766 175.027 176.870 -0.129 0.000 1.195 402 L CA -1.218 53.603 54.840 -0.031 0.000 0.882 402 L CB 0.477 42.545 42.059 0.014 0.000 1.133 402 L HN 0.247 nan 8.230 nan 0.000 0.483 403 P HA 0.040 nan 4.420 nan 0.000 0.263 403 P C -0.901 176.128 177.300 -0.452 0.000 1.195 403 P CA 0.474 63.103 63.100 -0.786 0.000 0.762 403 P CB 0.757 31.741 31.700 -1.192 0.000 0.799 404 S N 2.560 118.111 115.700 -0.248 0.000 2.627 404 S HA 0.778 5.255 4.470 0.012 0.000 0.283 404 S C -0.751 173.801 174.600 -0.080 0.000 1.127 404 S CA -0.727 57.392 58.200 -0.136 0.000 0.863 404 S CB 2.047 65.194 63.200 -0.089 0.000 1.121 404 S HN 0.295 nan 8.310 nan 0.000 0.479 405 R N 0.988 121.253 120.500 -0.392 0.000 2.574 405 R HA 0.676 5.023 4.340 0.012 0.000 0.288 405 R C -1.816 174.145 176.300 -0.566 0.000 1.004 405 R CA -0.611 55.219 56.100 -0.451 0.000 0.895 405 R CB 0.850 30.774 30.300 -0.628 0.000 1.191 405 R HN 0.627 nan 8.270 nan 0.000 0.444 406 I N 3.970 124.446 120.570 -0.158 0.000 2.385 406 I HA 0.571 4.748 4.170 0.012 0.000 0.294 406 I C -1.329 174.903 176.117 0.193 0.000 0.988 406 I CA -0.390 60.904 61.300 -0.009 0.000 1.265 406 I CB 1.318 39.425 38.000 0.178 0.000 1.388 406 I HN 0.731 nan 8.210 nan 0.000 0.480 407 C N 8.140 127.549 119.300 0.182 0.000 2.968 407 C HA 0.369 4.836 4.460 0.012 0.000 0.389 407 C C -1.537 173.704 174.990 0.419 0.000 1.068 407 C CA -0.663 58.574 59.018 0.366 0.000 1.272 407 C CB -0.471 27.527 27.740 0.431 0.000 1.711 407 C HN 0.772 nan 8.230 nan 0.000 0.501 408 W N 6.155 127.436 121.300 -0.033 0.000 2.381 408 W HA 0.543 5.208 4.660 0.008 0.000 0.321 408 W C 0.042 176.560 176.519 -0.000 0.000 1.407 408 W CA -0.098 57.248 57.345 0.003 0.000 1.274 408 W CB 0.298 29.696 29.460 -0.104 0.000 1.310 408 W HN 0.521 nan 8.180 nan 0.000 0.551 409 L N 3.662 124.942 121.223 0.095 0.000 2.381 409 L HA 0.736 5.082 4.340 0.012 0.000 0.268 409 L C 0.869 177.644 176.870 -0.159 0.000 0.997 409 L CA -0.943 53.829 54.840 -0.114 0.000 0.818 409 L CB 1.624 43.502 42.059 -0.301 0.000 1.310 409 L HN 0.498 nan 8.230 nan 0.000 0.416 410 G N -0.001 108.727 108.800 -0.121 0.000 2.531 410 G HA2 0.208 4.175 3.960 0.012 0.000 0.281 410 G HA3 0.208 4.175 3.960 0.012 0.000 0.281 410 G C -1.208 173.654 174.900 -0.064 0.000 1.382 410 G CA -0.364 44.706 45.100 -0.051 0.000 1.045 410 G HN 0.487 nan 8.290 nan 0.000 0.533 411 Y N 0.183 120.434 120.300 -0.083 0.000 2.712 411 Y HA 0.305 4.861 4.550 0.011 0.000 0.333 411 Y C 1.496 177.368 175.900 -0.046 0.000 1.225 411 Y CA 1.826 59.887 58.100 -0.065 0.000 1.499 411 Y CB 0.657 39.095 38.460 -0.037 0.000 1.288 411 Y HN 1.153 nan 8.280 nan 0.000 0.575 412 G N 3.872 112.309 108.800 -0.606 0.000 3.206 412 G HA2 -0.373 3.594 3.960 0.012 0.000 0.217 412 G HA3 -0.373 3.594 3.960 0.012 0.000 0.217 412 G C 1.212 176.034 174.900 -0.130 0.000 1.350 412 G CA 0.548 45.460 45.100 -0.312 0.000 0.836 412 G HN 0.637 nan 8.290 nan 0.000 0.548 413 E N 0.861 121.020 120.200 -0.069 0.000 2.118 413 E HA -0.100 4.257 4.350 0.012 0.000 0.195 413 E C 2.638 179.190 176.600 -0.080 0.000 0.992 413 E CA 1.178 57.591 56.400 0.020 0.000 0.804 413 E CB -0.157 29.391 29.700 -0.253 0.000 0.741 413 E HN 0.624 nan 8.360 nan 0.000 0.458 414 R N 1.067 121.369 120.500 -0.330 0.000 2.073 414 R HA -0.126 4.221 4.340 0.012 0.000 0.234 414 R C 2.456 178.626 176.300 -0.218 0.000 1.134 414 R CA 1.376 57.141 56.100 -0.559 0.000 0.952 414 R CB -0.304 29.561 30.300 -0.726 0.000 0.850 414 R HN 0.048 nan 8.270 nan 0.000 0.433 415 K N 1.558 121.849 120.400 -0.182 0.000 2.032 415 K HA -0.225 4.102 4.320 0.012 0.000 0.209 415 K C 2.138 178.708 176.600 -0.049 0.000 1.048 415 K CA 1.708 57.933 56.287 -0.104 0.000 0.927 415 K CB -0.031 32.381 32.500 -0.146 0.000 0.712 415 K HN -0.022 nan 8.250 nan 0.000 0.441 416 K N 0.208 120.593 120.400 -0.026 0.000 2.009 416 K HA -0.217 4.110 4.320 0.012 0.000 0.210 416 K C 2.234 178.824 176.600 -0.016 0.000 1.049 416 K CA 1.953 58.231 56.287 -0.014 0.000 0.929 416 K CB -0.195 32.318 32.500 0.022 0.000 0.714 416 K HN 0.109 nan 8.250 nan 0.000 0.440 417 M N 0.498 120.136 119.600 0.064 0.000 2.159 417 M HA -0.039 4.448 4.480 0.012 0.000 0.263 417 M C 1.806 178.089 176.300 -0.029 0.000 1.063 417 M CA 2.060 57.382 55.300 0.037 0.000 1.110 417 M CB -0.710 31.980 32.600 0.150 0.000 1.374 417 M HN 0.266 nan 8.290 nan 0.000 0.411 418 G N -0.220 108.603 108.800 0.039 0.000 2.402 418 G HA2 -0.126 3.841 3.960 0.012 0.000 0.216 418 G HA3 -0.126 3.841 3.960 0.012 0.000 0.216 418 G C 1.513 176.395 174.900 -0.031 0.000 1.162 418 G CA 0.916 46.037 45.100 0.034 0.000 0.777 418 G HN 0.496 nan 8.290 nan 0.000 0.539 419 L N 0.473 121.675 121.223 -0.035 0.000 2.156 419 L HA 0.050 4.397 4.340 0.012 0.000 0.208 419 L C 3.353 180.183 176.870 -0.068 0.000 1.095 419 L CA 0.775 55.587 54.840 -0.047 0.000 0.770 419 L CB -0.295 41.737 42.059 -0.043 0.000 0.914 419 L HN 0.307 nan 8.230 nan 0.000 0.439 420 A N 0.478 123.248 122.820 -0.084 0.000 1.873 420 A HA -0.161 4.166 4.320 0.012 0.000 0.215 420 A C 2.202 179.716 177.584 -0.117 0.000 1.186 420 A CA 1.305 53.282 52.037 -0.101 0.000 0.616 420 A CB -0.577 18.351 19.000 -0.120 0.000 0.823 420 A HN 0.304 nan 8.150 nan 0.000 0.442 421 I N -0.182 120.298 120.570 -0.150 0.000 2.163 421 I HA -0.290 3.887 4.170 0.012 0.000 0.243 421 I C 2.415 178.450 176.117 -0.137 0.000 1.085 421 I CA 1.835 63.024 61.300 -0.185 0.000 1.347 421 I CB -0.464 37.377 38.000 -0.265 0.000 1.044 421 I HN 0.404 nan 8.210 nan 0.000 0.408 422 N N 0.642 119.277 118.700 -0.108 0.000 2.223 422 N HA -0.226 4.521 4.740 0.012 0.000 0.185 422 N C 1.843 177.304 175.510 -0.082 0.000 1.016 422 N CA 1.161 54.158 53.050 -0.089 0.000 0.863 422 N CB -0.025 38.424 38.487 -0.063 0.000 0.983 422 N HN 0.173 nan 8.380 nan 0.000 0.429 423 E N 0.482 120.636 120.200 -0.077 0.000 2.051 423 E HA -0.113 4.244 4.350 0.012 0.000 0.192 423 E C 1.935 178.493 176.600 -0.069 0.000 0.991 423 E CA 0.759 57.119 56.400 -0.066 0.000 0.799 423 E CB -0.287 29.375 29.700 -0.063 0.000 0.748 423 E HN 0.445 nan 8.360 nan 0.000 0.449 424 L N 0.150 121.324 121.223 -0.081 0.000 2.201 424 L HA -0.137 4.210 4.340 0.012 0.000 0.212 424 L C 2.448 179.267 176.870 -0.085 0.000 1.105 424 L CA 0.435 55.228 54.840 -0.078 0.000 0.775 424 L CB -0.225 41.783 42.059 -0.085 0.000 0.913 424 L HN 0.005 nan 8.230 nan 0.000 0.440 425 V N -0.219 119.633 119.914 -0.104 0.000 2.453 425 V HA -0.214 3.913 4.120 0.012 0.000 0.247 425 V C 2.613 178.643 176.094 -0.107 0.000 1.048 425 V CA 1.565 63.788 62.300 -0.127 0.000 1.049 425 V CB -0.560 31.166 31.823 -0.162 0.000 0.672 425 V HN 0.458 nan 8.190 nan 0.000 0.457 426 R N 1.060 121.511 120.500 -0.082 0.000 2.075 426 R HA -0.171 4.176 4.340 0.012 0.000 0.232 426 R C 2.382 178.655 176.300 -0.045 0.000 1.126 426 R CA 2.143 58.208 56.100 -0.059 0.000 0.963 426 R CB -0.510 29.763 30.300 -0.046 0.000 0.858 426 R HN 0.639 nan 8.270 nan 0.000 0.435 427 T N -3.696 110.831 114.554 -0.045 0.000 3.055 427 T HA 0.172 4.529 4.350 0.012 0.000 0.265 427 T C 1.409 176.090 174.700 -0.031 0.000 1.111 427 T CA 0.814 62.894 62.100 -0.033 0.000 1.118 427 T CB 0.354 69.203 68.868 -0.032 0.000 0.909 427 T HN 0.511 nan 8.240 nan 0.000 0.501 428 G N 0.985 109.759 108.800 -0.043 0.000 2.195 428 G HA2 -0.244 3.723 3.960 0.012 0.000 0.224 428 G HA3 -0.244 3.723 3.960 0.012 0.000 0.224 428 G C 0.711 175.590 174.900 -0.035 0.000 0.990 428 G CA 0.311 45.388 45.100 -0.039 0.000 0.639 428 G HN 0.534 nan 8.290 nan 0.000 0.514 429 E N -0.306 119.873 120.200 -0.036 0.000 2.153 429 E HA 0.018 4.375 4.350 0.012 0.000 0.194 429 E C 0.998 177.578 176.600 -0.034 0.000 0.988 429 E CA 0.578 56.961 56.400 -0.028 0.000 0.811 429 E CB 0.054 29.736 29.700 -0.029 0.000 0.746 429 E HN 0.524 nan 8.360 nan 0.000 0.466 430 L N 1.457 122.647 121.223 -0.056 0.000 2.275 430 L HA 0.159 4.506 4.340 0.012 0.000 0.288 430 L C 1.020 177.843 176.870 -0.078 0.000 1.046 430 L CA -0.245 54.554 54.840 -0.069 0.000 0.805 430 L CB 1.191 43.192 42.059 -0.097 0.000 1.193 430 L HN -0.114 nan 8.230 nan 0.000 0.426 431 K N 2.516 122.878 120.400 -0.062 0.000 2.515 431 K HA 0.165 4.492 4.320 0.012 0.000 0.196 431 K C 0.318 176.864 176.600 -0.090 0.000 1.038 431 K CA 0.331 56.587 56.287 -0.053 0.000 0.967 431 K CB 0.107 32.595 32.500 -0.021 0.000 0.780 431 K HN 0.687 nan 8.250 nan 0.000 0.483 432 A N 0.635 123.354 122.820 -0.169 0.000 2.544 432 A HA 0.408 4.735 4.320 0.012 0.000 0.291 432 A C -2.985 174.346 177.584 -0.421 0.000 1.055 432 A CA -1.401 50.428 52.037 -0.347 0.000 0.651 432 A CB 0.721 19.577 19.000 -0.239 0.000 1.296 432 A HN -0.206 nan 8.150 nan 0.000 0.431 433 P HA 0.330 nan 4.420 nan 0.000 0.268 433 P C -0.439 176.729 177.300 -0.220 0.000 1.208 433 P CA 0.077 62.897 63.100 -0.467 0.000 0.777 433 P CB 0.628 31.964 31.700 -0.606 0.000 0.875 434 V N 0.987 120.829 119.914 -0.120 0.000 2.735 434 V HA 0.642 4.769 4.120 0.012 0.000 0.310 434 V C -0.407 175.694 176.094 0.011 0.000 1.061 434 V CA -1.130 61.153 62.300 -0.028 0.000 0.913 434 V CB 1.933 33.740 31.823 -0.027 0.000 1.005 434 V HN 0.375 nan 8.190 nan 0.000 0.428 435 V N 3.605 123.557 119.914 0.063 0.000 2.498 435 V HA 0.651 4.778 4.120 0.012 0.000 0.279 435 V C -0.048 176.044 176.094 -0.002 0.000 1.048 435 V CA -0.378 61.943 62.300 0.035 0.000 0.967 435 V CB 0.822 32.706 31.823 0.102 0.000 0.988 435 V HN 0.800 nan 8.190 nan 0.000 0.473 436 I N 5.055 125.570 120.570 -0.091 0.000 2.362 436 I HA 0.810 4.987 4.170 0.012 0.000 0.289 436 I C 0.765 176.727 176.117 -0.257 0.000 0.994 436 I CA 0.029 61.234 61.300 -0.159 0.000 1.158 436 I CB 1.353 39.284 38.000 -0.114 0.000 1.315 436 I HN 0.967 nan 8.210 nan 0.000 0.451 437 G N 5.557 114.170 108.800 -0.312 0.000 3.003 437 G HA2 0.853 4.820 3.960 0.012 0.000 0.243 437 G HA3 0.853 4.820 3.960 0.012 0.000 0.243 437 G C -1.191 173.565 174.900 -0.240 0.000 1.176 437 G CA -0.615 44.330 45.100 -0.258 0.000 0.812 437 G HN 0.695 nan 8.290 nan 0.000 0.584 438 R N -1.297 119.128 120.500 -0.125 0.000 2.979 438 R HA 0.410 4.757 4.340 0.012 0.000 0.286 438 R C -2.000 174.300 176.300 -0.000 0.000 0.972 438 R CA -0.772 55.279 56.100 -0.083 0.000 0.828 438 R CB 0.429 30.694 30.300 -0.058 0.000 1.368 438 R HN 0.536 nan 8.270 nan 0.000 0.511 439 D N -0.755 119.645 120.400 0.001 0.000 2.411 439 D HA 0.213 4.860 4.640 0.012 0.000 0.251 439 D C 0.369 176.742 176.300 0.122 0.000 1.201 439 D CA -0.367 53.675 54.000 0.069 0.000 0.996 439 D CB 0.681 41.500 40.800 0.032 0.000 1.101 439 D HN 0.613 nan 8.370 nan 0.000 0.504 440 H N -0.044 118.977 119.070 -0.082 0.000 2.548 440 H HA 0.101 4.667 4.556 0.016 0.000 0.268 440 H C 0.348 175.594 175.328 -0.137 0.000 0.975 440 H CA -0.248 55.738 56.048 -0.103 0.000 1.195 440 H CB 0.538 30.246 29.762 -0.090 0.000 1.397 440 H HN 0.130 nan 8.280 nan 0.000 0.572 441 L N 2.151 123.374 121.223 -0.000 0.000 2.315 441 L HA 0.189 4.536 4.340 0.012 0.000 0.283 441 L C -0.860 175.950 176.870 -0.099 0.000 1.089 441 L CA -0.094 54.729 54.840 -0.027 0.000 0.833 441 L CB 0.484 42.597 42.059 0.090 0.000 1.170 441 L HN 0.081 nan 8.230 nan 0.000 0.442 442 D N 1.681 121.903 120.400 -0.297 0.000 2.692 442 D HA 0.115 4.762 4.640 0.012 0.000 0.290 442 D C 0.686 176.428 176.300 -0.930 0.000 1.281 442 D CA -0.051 53.676 54.000 -0.456 0.000 0.804 442 D CB 1.120 41.766 40.800 -0.257 0.000 1.331 442 D HN 0.612 nan 8.370 nan 0.000 0.432 443 C N -0.008 118.775 119.300 -0.862 0.000 2.411 443 C HA 0.343 4.810 4.460 0.012 0.000 0.279 443 C C 1.627 176.405 174.990 -0.353 0.000 1.288 443 C CA 0.949 59.499 59.018 -0.780 0.000 1.764 443 C CB -1.248 26.335 27.740 -0.261 0.000 1.974 443 C HN 0.569 nan 8.230 nan 0.000 0.498 444 G N -0.198 108.463 108.800 -0.231 0.000 4.424 444 G HA2 0.388 4.355 3.960 0.012 0.000 0.287 444 G HA3 0.388 4.355 3.960 0.012 0.000 0.287 444 G C 0.709 175.584 174.900 -0.041 0.000 1.023 444 G CA 0.743 45.784 45.100 -0.097 0.000 0.790 444 G HN 0.708 nan 8.290 nan 0.000 0.468 445 S N -1.266 114.379 115.700 -0.092 0.000 2.603 445 S HA 0.509 4.986 4.470 0.012 0.000 0.232 445 S C 0.084 174.692 174.600 0.013 0.000 1.016 445 S CA -0.153 58.026 58.200 -0.034 0.000 0.976 445 S CB 1.068 64.211 63.200 -0.095 0.000 0.921 445 S HN 0.631 nan 8.310 nan 0.000 0.516 446 V N 0.399 120.310 119.914 -0.004 0.000 3.049 446 V HA 0.874 5.001 4.120 0.012 0.000 0.309 446 V C -1.759 174.369 176.094 0.057 0.000 1.148 446 V CA -0.469 61.864 62.300 0.054 0.000 0.990 446 V CB 1.895 33.726 31.823 0.013 0.000 1.039 446 V HN 0.513 nan 8.190 nan 0.000 0.430 447 A N 3.328 126.212 122.820 0.108 0.000 2.332 447 A HA 0.864 5.191 4.320 0.012 0.000 0.300 447 A C -0.428 177.224 177.584 0.113 0.000 1.153 447 A CA 0.044 52.144 52.037 0.106 0.000 0.764 447 A CB 1.617 20.703 19.000 0.145 0.000 1.174 447 A HN 1.512 nan 8.150 nan 0.000 0.467 448 S N 3.967 119.721 115.700 0.090 0.000 2.417 448 S HA 0.454 4.931 4.470 0.012 0.000 0.189 448 S C -2.488 172.172 174.600 0.100 0.000 1.005 448 S CA -0.654 57.615 58.200 0.114 0.000 1.116 448 S CB 0.809 64.071 63.200 0.104 0.000 1.343 448 S HN 0.297 nan 8.310 nan 0.000 0.406 449 P HA -0.080 nan 4.420 nan 0.000 0.217 449 P C 0.663 178.019 177.300 0.094 0.000 1.148 449 P CA 1.191 64.339 63.100 0.081 0.000 0.834 449 P CB 0.084 31.828 31.700 0.074 0.000 0.783 450 N N -1.968 116.827 118.700 0.158 0.000 2.268 450 N HA 0.104 4.851 4.740 0.012 0.000 0.204 450 N C 1.081 176.670 175.510 0.132 0.000 1.124 450 N CA 0.191 53.346 53.050 0.175 0.000 0.838 450 N CB 0.303 38.919 38.487 0.216 0.000 0.994 450 N HN 0.159 nan 8.380 nan 0.000 0.489 451 R N -0.264 120.285 120.500 0.081 0.000 3.724 451 R HA 0.145 4.492 4.340 0.012 0.000 0.097 451 R C 0.374 176.638 176.300 -0.060 0.000 0.873 451 R CA -0.107 56.003 56.100 0.017 0.000 0.669 451 R CB 0.008 30.347 30.300 0.064 0.000 0.724 451 R HN -0.194 nan 8.270 nan 0.000 0.357 452 E N 0.442 120.630 120.200 -0.022 0.000 2.160 452 E HA -0.107 4.250 4.350 0.012 0.000 0.195 452 E C 0.697 177.314 176.600 0.029 0.000 0.991 452 E CA 2.017 58.426 56.400 0.016 0.000 0.810 452 E CB 0.081 29.791 29.700 0.016 0.000 0.742 452 E HN 0.527 nan 8.360 nan 0.000 0.466 453 T N -2.078 112.484 114.554 0.014 0.000 3.266 453 T HA 0.190 4.547 4.350 0.012 0.000 0.278 453 T C 0.092 174.800 174.700 0.014 0.000 1.010 453 T CA -0.516 61.585 62.100 0.002 0.000 0.909 453 T CB -0.002 68.861 68.868 -0.009 0.000 1.122 453 T HN -0.021 nan 8.240 nan 0.000 0.536 454 E N 1.756 121.963 120.200 0.012 0.000 2.324 454 E HA 0.411 4.768 4.350 0.012 0.000 0.271 454 E C 0.508 177.116 176.600 0.015 0.000 1.028 454 E CA 0.181 56.589 56.400 0.014 0.000 0.890 454 E CB 0.137 29.848 29.700 0.017 0.000 1.004 454 E HN 0.582 nan 8.360 nan 0.000 0.431 455 A N 5.232 128.058 122.820 0.010 0.000 2.667 455 A HA -0.173 4.154 4.320 0.012 0.000 0.298 455 A C 0.151 177.771 177.584 0.060 0.000 1.483 455 A CA 0.521 52.569 52.037 0.019 0.000 0.738 455 A CB -1.337 17.672 19.000 0.016 0.000 1.067 455 A HN 0.568 nan 8.150 nan 0.000 0.451 456 M N 0.289 119.924 119.600 0.058 0.000 2.245 456 M HA 0.081 4.568 4.480 0.012 0.000 0.344 456 M C 1.696 178.029 176.300 0.055 0.000 1.170 456 M CA 0.797 56.165 55.300 0.114 0.000 1.135 456 M CB 0.411 33.039 32.600 0.047 0.000 1.574 456 M HN 0.680 nan 8.290 nan 0.000 0.452 457 K N 1.414 121.815 120.400 0.002 0.000 2.281 457 K HA -0.182 4.145 4.320 0.012 0.000 0.203 457 K C 0.633 177.153 176.600 -0.133 0.000 1.046 457 K CA 1.933 58.122 56.287 -0.162 0.000 0.938 457 K CB -0.150 32.068 32.500 -0.470 0.000 0.737 457 K HN 0.649 nan 8.250 nan 0.000 0.458 458 D N -0.614 119.724 120.400 -0.103 0.000 2.349 458 D HA 0.082 4.729 4.640 0.012 0.000 0.214 458 D C 1.034 177.316 176.300 -0.031 0.000 1.063 458 D CA 0.468 54.428 54.000 -0.067 0.000 0.847 458 D CB 0.227 40.993 40.800 -0.057 0.000 0.933 458 D HN 0.392 nan 8.370 nan 0.000 0.513 459 G N 0.897 109.684 108.800 -0.021 0.000 2.147 459 G HA2 -0.315 3.652 3.960 0.012 0.000 0.244 459 G HA3 -0.315 3.652 3.960 0.012 0.000 0.244 459 G C 0.762 175.665 174.900 0.004 0.000 1.005 459 G CA 0.625 45.719 45.100 -0.010 0.000 0.713 459 G HN 0.687 nan 8.290 nan 0.000 0.515 460 S N -0.383 115.325 115.700 0.014 0.000 2.743 460 S HA 0.238 4.715 4.470 0.012 0.000 0.230 460 S C 1.439 176.064 174.600 0.042 0.000 0.950 460 S CA 0.795 59.020 58.200 0.042 0.000 0.976 460 S CB 0.234 63.476 63.200 0.069 0.000 0.779 460 S HN 0.277 nan 8.310 nan 0.000 0.487 461 D N 3.589 124.002 120.400 0.022 0.000 2.204 461 D HA -0.191 4.456 4.640 0.012 0.000 0.189 461 D C 1.894 178.219 176.300 0.042 0.000 1.006 461 D CA 2.139 56.153 54.000 0.023 0.000 0.855 461 D CB -0.613 40.193 40.800 0.011 0.000 0.946 461 D HN 0.670 nan 8.370 nan 0.000 0.448 462 A N 0.199 123.042 122.820 0.039 0.000 2.238 462 A HA 0.159 4.486 4.320 0.012 0.000 0.208 462 A C 0.673 178.298 177.584 0.069 0.000 1.177 462 A CA -0.092 51.972 52.037 0.045 0.000 0.804 462 A CB 0.043 19.053 19.000 0.017 0.000 0.823 462 A HN 0.078 nan 8.150 nan 0.000 0.482 463 V N 0.474 120.448 119.914 0.099 0.000 2.485 463 V HA 0.287 4.414 4.120 0.012 0.000 0.287 463 V C 1.519 177.721 176.094 0.180 0.000 1.022 463 V CA 0.870 63.252 62.300 0.135 0.000 1.067 463 V CB 0.944 32.892 31.823 0.209 0.000 0.967 463 V HN 0.410 nan 8.190 nan 0.000 0.479 464 G N 2.255 111.134 108.800 0.131 0.000 3.159 464 G HA2 0.011 3.978 3.960 0.012 0.000 0.232 464 G HA3 0.011 3.978 3.960 0.012 0.000 0.232 464 G C 0.781 175.766 174.900 0.142 0.000 1.116 464 G CA -0.096 45.101 45.100 0.162 0.000 0.767 464 G HN 0.697 nan 8.290 nan 0.000 0.547 465 D N 1.298 121.712 120.400 0.024 0.000 2.123 465 D HA -0.152 4.495 4.640 0.012 0.000 0.196 465 D C 1.854 178.097 176.300 -0.095 0.000 0.992 465 D CA 0.892 54.814 54.000 -0.130 0.000 0.833 465 D CB -0.168 40.418 40.800 -0.356 0.000 0.954 465 D HN 0.567 nan 8.370 nan 0.000 0.455 466 W N 1.856 123.176 121.300 0.033 0.000 2.363 466 W HA -0.042 4.625 4.660 0.011 0.000 0.296 466 W C 2.737 179.291 176.519 0.059 0.000 1.212 466 W CA 0.899 58.262 57.345 0.030 0.000 1.260 466 W CB -0.714 28.750 29.460 0.007 0.000 1.131 466 W HN -0.059 nan 8.180 nan 0.000 0.530 467 A N 0.270 123.282 122.820 0.320 0.000 1.902 467 A HA -0.154 4.173 4.320 0.012 0.000 0.217 467 A C 2.064 179.859 177.584 0.353 0.000 1.181 467 A CA 2.214 54.423 52.037 0.287 0.000 0.623 467 A CB -1.102 18.061 19.000 0.272 0.000 0.818 467 A HN 0.114 nan 8.150 nan 0.000 0.443 468 V N 0.159 120.254 119.914 0.302 0.000 2.261 468 V HA -0.259 3.868 4.120 0.012 0.000 0.246 468 V C 2.571 178.687 176.094 0.037 0.000 1.047 468 V CA 1.968 64.319 62.300 0.086 0.000 1.015 468 V CB -0.815 30.950 31.823 -0.096 0.000 0.642 468 V HN 0.579 nan 8.190 nan 0.000 0.446 469 L N 0.477 121.719 121.223 0.032 0.000 2.079 469 L HA -0.231 4.116 4.340 0.012 0.000 0.210 469 L C 2.582 179.493 176.870 0.068 0.000 1.081 469 L CA 1.937 56.789 54.840 0.019 0.000 0.752 469 L CB -0.887 41.169 42.059 -0.006 0.000 0.896 469 L HN 0.503 nan 8.230 nan 0.000 0.433 470 N N 0.692 119.463 118.700 0.117 0.000 2.036 470 N HA -0.237 4.510 4.740 0.012 0.000 0.195 470 N C 1.852 177.405 175.510 0.070 0.000 1.037 470 N CA 1.963 55.072 53.050 0.098 0.000 0.855 470 N CB 0.052 38.597 38.487 0.096 0.000 1.033 470 N HN 0.325 nan 8.380 nan 0.000 0.423 471 A N 1.064 123.943 122.820 0.097 0.000 1.908 471 A HA -0.104 4.223 4.320 0.012 0.000 0.218 471 A C 2.260 179.871 177.584 0.046 0.000 1.181 471 A CA 0.949 53.038 52.037 0.086 0.000 0.627 471 A CB -0.615 18.488 19.000 0.172 0.000 0.818 471 A HN 0.311 nan 8.150 nan 0.000 0.445 472 L N -0.246 120.990 121.223 0.022 0.000 2.027 472 L HA -0.123 4.224 4.340 0.012 0.000 0.206 472 L C 2.657 179.537 176.870 0.017 0.000 1.074 472 L CA 1.670 56.511 54.840 0.002 0.000 0.745 472 L CB -0.875 41.168 42.059 -0.027 0.000 0.898 472 L HN 0.258 nan 8.230 nan 0.000 0.433 473 V N -0.382 119.548 119.914 0.027 0.000 2.358 473 V HA -0.232 3.895 4.120 0.012 0.000 0.246 473 V C 2.199 178.314 176.094 0.035 0.000 1.047 473 V CA 1.597 63.916 62.300 0.033 0.000 1.035 473 V CB -0.864 30.988 31.823 0.047 0.000 0.658 473 V HN 0.443 nan 8.190 nan 0.000 0.452 474 N N 0.236 118.957 118.700 0.035 0.000 2.309 474 N HA -0.114 4.633 4.740 0.012 0.000 0.182 474 N C 1.898 177.430 175.510 0.038 0.000 1.018 474 N CA 1.733 54.801 53.050 0.031 0.000 0.876 474 N CB -0.512 37.985 38.487 0.017 0.000 0.972 474 N HN 0.475 nan 8.380 nan 0.000 0.434 475 T N 0.714 115.294 114.554 0.043 0.000 2.777 475 T HA -0.005 4.352 4.350 0.012 0.000 0.266 475 T C 1.953 176.684 174.700 0.053 0.000 1.040 475 T CA 1.286 63.419 62.100 0.055 0.000 1.141 475 T CB -0.218 68.680 68.868 0.051 0.000 0.868 475 T HN 0.325 nan 8.240 nan 0.000 0.444 476 A N 1.254 124.098 122.820 0.040 0.000 1.930 476 A HA 0.259 4.586 4.320 0.012 0.000 0.217 476 A C 2.582 180.186 177.584 0.034 0.000 1.175 476 A CA 1.613 53.671 52.037 0.035 0.000 0.627 476 A CB -0.923 18.091 19.000 0.023 0.000 0.815 476 A HN 0.486 nan 8.150 nan 0.000 0.443 477 A N -1.565 121.275 122.820 0.034 0.000 1.972 477 A HA 0.330 4.657 4.320 0.012 0.000 0.219 477 A C 1.812 179.416 177.584 0.034 0.000 1.169 477 A CA 1.759 53.814 52.037 0.031 0.000 0.635 477 A CB -0.779 18.239 19.000 0.031 0.000 0.810 477 A HN 1.926 nan 8.150 nan 0.000 0.446 478 G N -2.487 106.339 108.800 0.044 0.000 2.186 478 G HA2 0.295 4.262 3.960 0.012 0.000 0.130 478 G HA3 0.295 4.262 3.960 0.012 0.000 0.130 478 G C 0.224 175.157 174.900 0.054 0.000 1.031 478 G CA 0.119 45.251 45.100 0.054 0.000 0.697 478 G HN 1.365 nan 8.290 nan 0.000 0.494 479 A N -0.057 122.791 122.820 0.047 0.000 2.366 479 A HA 0.778 5.105 4.320 0.012 0.000 0.250 479 A C 1.689 179.318 177.584 0.074 0.000 1.099 479 A CA 1.064 53.118 52.037 0.029 0.000 0.794 479 A CB 0.415 19.414 19.000 -0.001 0.000 1.056 479 A HN 0.933 nan 8.150 nan 0.000 0.499 480 S N -1.026 114.712 115.700 0.063 0.000 2.395 480 S HA 0.074 4.551 4.470 0.012 0.000 0.225 480 S C -0.116 174.732 174.600 0.414 0.000 1.027 480 S CA 1.495 59.823 58.200 0.213 0.000 0.965 480 S CB -0.245 63.088 63.200 0.221 0.000 0.812 480 S HN 0.896 nan 8.310 nan 0.000 0.482 481 W N -0.136 121.221 121.300 0.094 0.000 3.405 481 W HA 0.713 5.379 4.660 0.009 0.000 0.329 481 W C -2.011 174.541 176.519 0.055 0.000 1.142 481 W CA -1.039 56.360 57.345 0.089 0.000 1.235 481 W CB 0.425 29.962 29.460 0.128 0.000 1.341 481 W HN -0.321 nan 8.180 nan 0.000 0.481 482 V N 4.222 124.290 119.914 0.256 0.000 2.581 482 V HA 0.792 4.919 4.120 0.012 0.000 0.303 482 V C -0.028 176.164 176.094 0.164 0.000 1.041 482 V CA -0.525 61.858 62.300 0.138 0.000 0.907 482 V CB 1.674 33.555 31.823 0.097 0.000 0.994 482 V HN 0.709 nan 8.190 nan 0.000 0.442 483 S N 3.535 119.303 115.700 0.113 0.000 2.569 483 S HA 0.812 5.289 4.470 0.012 0.000 0.280 483 S C -1.223 173.484 174.600 0.179 0.000 1.111 483 S CA -0.638 57.665 58.200 0.171 0.000 0.887 483 S CB 2.125 65.438 63.200 0.189 0.000 1.095 483 S HN 0.601 nan 8.310 nan 0.000 0.476 484 F N 2.050 122.091 119.950 0.153 0.000 2.553 484 F HA 0.533 5.069 4.527 0.015 0.000 0.335 484 F C -0.440 175.514 175.800 0.257 0.000 1.148 484 F CA -0.230 57.834 58.000 0.106 0.000 0.963 484 F CB 1.175 40.206 39.000 0.051 0.000 1.217 484 F HN 0.851 nan 8.300 nan 0.000 0.441 485 H N 3.600 122.349 119.070 -0.535 0.000 2.676 485 H HA 0.367 4.929 4.556 0.009 0.000 0.352 485 H C -1.148 173.739 175.328 -0.736 0.000 1.193 485 H CA -1.131 54.640 56.048 -0.462 0.000 1.243 485 H CB 2.304 31.880 29.762 -0.310 0.000 1.751 485 H HN 0.572 nan 8.280 nan 0.000 0.567 486 H N -0.581 118.331 119.070 -0.264 0.000 2.589 486 H HA 0.279 4.844 4.556 0.016 0.000 0.351 486 H C 0.430 175.779 175.328 0.036 0.000 1.074 486 H CA 0.220 56.165 56.048 -0.172 0.000 1.203 486 H CB 1.516 31.252 29.762 -0.044 0.000 1.558 486 H HN 1.028 nan 8.280 nan 0.000 0.522 487 G N 3.170 111.694 108.800 -0.460 0.000 2.159 487 G HA2 -0.254 3.713 3.960 0.012 0.000 0.256 487 G HA3 -0.254 3.713 3.960 0.012 0.000 0.256 487 G C 0.632 175.661 174.900 0.216 0.000 0.977 487 G CA 0.150 45.063 45.100 -0.311 0.000 0.652 487 G HN 0.984 nan 8.290 nan 0.000 0.531 488 G N -1.097 107.982 108.800 0.465 0.000 2.491 488 G HA2 0.496 4.463 3.960 0.012 0.000 0.238 488 G HA3 0.496 4.463 3.960 0.012 0.000 0.238 488 G C 1.623 176.551 174.900 0.046 0.000 1.277 488 G CA 1.550 46.780 45.100 0.216 0.000 0.851 488 G HN 1.820 nan 8.290 nan 0.000 0.573 489 G N 0.196 108.989 108.800 -0.012 0.000 3.163 489 G HA2 -0.333 3.634 3.960 0.012 0.000 0.227 489 G HA3 -0.333 3.634 3.960 0.012 0.000 0.227 489 G C 1.417 176.332 174.900 0.024 0.000 1.300 489 G CA 1.629 46.705 45.100 -0.039 0.000 0.867 489 G HN 1.987 nan 8.290 nan 0.000 0.533 490 V N -1.136 118.850 119.914 0.120 0.000 3.621 490 V HA 0.641 4.768 4.120 0.012 0.000 0.285 490 V C 1.390 177.629 176.094 0.242 0.000 1.346 490 V CA 0.740 63.140 62.300 0.166 0.000 1.104 490 V CB -0.347 31.560 31.823 0.140 0.000 0.913 490 V HN 2.500 nan 8.190 nan 0.000 0.432 491 G N 0.425 109.396 108.800 0.284 0.000 2.663 491 G HA2 -0.088 3.879 3.960 0.012 0.000 0.686 491 G HA3 -0.088 3.879 3.960 0.012 0.000 0.686 491 G C -0.568 174.218 174.900 -0.190 0.000 1.288 491 G CA -0.516 44.707 45.100 0.205 0.000 0.836 491 G HN 0.242 nan 8.290 nan 0.000 0.584 492 M N 1.031 120.109 119.600 -0.870 0.000 2.255 492 M HA 0.272 4.759 4.480 0.012 0.000 0.356 492 M C 1.913 178.123 176.300 -0.150 0.000 1.338 492 M CA 1.972 56.809 55.300 -0.771 0.000 0.962 492 M CB -0.747 31.159 32.600 -1.156 0.000 1.877 492 M HN 2.588 nan 8.290 nan 0.000 0.463 493 G N 3.054 111.939 108.800 0.142 0.000 2.245 493 G HA2 -0.322 3.645 3.960 0.012 0.000 0.264 493 G HA3 -0.322 3.645 3.960 0.012 0.000 0.264 493 G C 0.523 175.326 174.900 -0.162 0.000 0.985 493 G CA 0.528 45.666 45.100 0.063 0.000 0.625 493 G HN 0.733 nan 8.290 nan 0.000 0.536 494 Y N 1.498 121.832 120.300 0.057 0.000 2.449 494 Y HA 0.474 5.033 4.550 0.015 0.000 0.254 494 Y C 1.462 177.419 175.900 0.095 0.000 1.140 494 Y CA 0.713 58.857 58.100 0.073 0.000 1.272 494 Y CB 0.790 39.294 38.460 0.073 0.000 1.114 494 Y HN 0.683 nan 8.280 nan 0.000 0.525 495 S N -0.646 115.179 115.700 0.209 0.000 2.547 495 S HA 0.707 5.184 4.470 0.012 0.000 0.270 495 S C -1.500 173.237 174.600 0.230 0.000 1.150 495 S CA -0.921 57.414 58.200 0.225 0.000 0.850 495 S CB 1.368 64.721 63.200 0.255 0.000 1.118 495 S HN 0.041 nan 8.310 nan 0.000 0.461 496 L N 2.574 123.903 121.223 0.178 0.000 2.408 496 L HA 0.778 5.125 4.340 0.012 0.000 0.268 496 L C -0.957 175.868 176.870 -0.075 0.000 0.986 496 L CA -0.660 54.148 54.840 -0.055 0.000 0.820 496 L CB 2.119 44.235 42.059 0.095 0.000 1.303 496 L HN 1.131 nan 8.230 nan 0.000 0.411 497 H N 1.067 119.907 119.070 -0.384 0.000 3.037 497 H HA 0.860 5.423 4.556 0.010 0.000 0.336 497 H C -1.411 173.708 175.328 -0.348 0.000 1.323 497 H CA -0.904 55.003 56.048 -0.235 0.000 1.159 497 H CB 1.528 31.256 29.762 -0.057 0.000 1.882 497 H HN 0.649 nan 8.280 nan 0.000 0.535 498 A N 0.848 123.593 122.820 -0.125 0.000 2.374 498 A HA 0.845 5.172 4.320 0.012 0.000 0.317 498 A C -0.029 177.119 177.584 -0.727 0.000 1.094 498 A CA -0.392 51.490 52.037 -0.259 0.000 0.765 498 A CB 1.358 20.369 19.000 0.018 0.000 1.268 498 A HN 1.163 nan 8.150 nan 0.000 0.438 499 G N -0.292 107.942 108.800 -0.943 0.000 2.511 499 G HA2 0.722 4.689 3.960 0.012 0.000 0.318 499 G HA3 0.722 4.689 3.960 0.012 0.000 0.318 499 G C -0.796 173.925 174.900 -0.298 0.000 1.210 499 G CA -0.367 44.182 45.100 -0.918 0.000 0.969 499 G HN 1.608 nan 8.290 nan 0.000 0.484 500 M N 0.674 120.150 119.600 -0.207 0.000 2.284 500 M HA 0.684 5.171 4.480 0.012 0.000 0.281 500 M C -1.980 174.164 176.300 -0.260 0.000 1.083 500 M CA -0.671 54.526 55.300 -0.171 0.000 0.965 500 M CB 1.935 34.472 32.600 -0.105 0.000 1.717 500 M HN 0.398 nan 8.290 nan 0.000 0.479 501 V N 3.246 122.890 119.914 -0.450 0.000 2.656 501 V HA 1.041 5.168 4.120 0.012 0.000 0.307 501 V C -0.483 175.298 176.094 -0.522 0.000 1.051 501 V CA -0.287 61.595 62.300 -0.696 0.000 0.893 501 V CB 1.615 32.459 31.823 -1.632 0.000 0.999 501 V HN 1.166 nan 8.190 nan 0.000 0.426 502 A N 3.601 126.216 122.820 -0.342 0.000 2.414 502 A HA 0.891 5.218 4.320 0.012 0.000 0.306 502 A C -1.098 176.417 177.584 -0.115 0.000 1.054 502 A CA -0.596 51.344 52.037 -0.162 0.000 0.724 502 A CB 1.956 20.915 19.000 -0.068 0.000 1.267 502 A HN 0.678 nan 8.150 nan 0.000 0.418 503 V N 1.565 121.468 119.914 -0.019 0.000 2.394 503 V HA 0.588 4.715 4.120 0.012 0.000 0.282 503 V C 0.631 176.733 176.094 0.013 0.000 1.031 503 V CA -0.155 62.164 62.300 0.030 0.000 0.881 503 V CB 1.291 33.197 31.823 0.138 0.000 0.982 503 V HN 1.166 nan 8.190 nan 0.000 0.451 504 A N 3.442 126.249 122.820 -0.021 0.000 2.621 504 A HA 0.522 4.849 4.320 0.012 0.000 0.329 504 A C 0.536 178.068 177.584 -0.086 0.000 1.458 504 A CA -0.487 51.520 52.037 -0.049 0.000 1.052 504 A CB -0.159 18.798 19.000 -0.072 0.000 1.142 504 A HN 0.914 nan 8.150 nan 0.000 0.523 505 D N 1.446 121.805 120.400 -0.069 0.000 2.368 505 D HA 0.267 4.914 4.640 0.012 0.000 0.218 505 D C 1.089 177.311 176.300 -0.129 0.000 1.112 505 D CA 0.501 54.419 54.000 -0.136 0.000 0.834 505 D CB -0.078 40.700 40.800 -0.037 0.000 0.953 505 D HN 0.968 nan 8.370 nan 0.000 0.505 506 G N 0.426 109.170 108.800 -0.093 0.000 2.225 506 G HA2 -0.319 3.648 3.960 0.012 0.000 0.254 506 G HA3 -0.319 3.648 3.960 0.012 0.000 0.254 506 G C 0.537 175.416 174.900 -0.035 0.000 0.988 506 G CA 0.525 45.581 45.100 -0.073 0.000 0.625 506 G HN 0.869 nan 8.290 nan 0.000 0.527 507 S N -0.157 115.534 115.700 -0.014 0.000 2.624 507 S HA 0.546 5.023 4.470 0.012 0.000 0.263 507 S C 1.061 175.664 174.600 0.004 0.000 1.287 507 S CA 0.559 58.763 58.200 0.008 0.000 0.990 507 S CB 1.495 64.714 63.200 0.032 0.000 0.950 507 S HN 0.391 nan 8.310 nan 0.000 0.561 508 E N 0.008 120.214 120.200 0.010 0.000 2.158 508 E HA -0.011 4.346 4.350 0.012 0.000 0.191 508 E C 1.780 178.388 176.600 0.013 0.000 0.982 508 E CA 0.304 56.708 56.400 0.007 0.000 0.823 508 E CB -0.223 29.481 29.700 0.008 0.000 0.766 508 E HN 0.585 nan 8.360 nan 0.000 0.468 509 L N 0.868 122.105 121.223 0.023 0.000 2.079 509 L HA -0.209 4.138 4.340 0.012 0.000 0.210 509 L C 2.360 179.247 176.870 0.028 0.000 1.081 509 L CA 1.388 56.246 54.840 0.030 0.000 0.752 509 L CB -0.326 41.760 42.059 0.044 0.000 0.896 509 L HN 0.134 nan 8.230 nan 0.000 0.433 510 A N -0.586 122.249 122.820 0.025 0.000 1.898 510 A HA -0.217 4.110 4.320 0.012 0.000 0.216 510 A C 1.826 179.414 177.584 0.007 0.000 1.181 510 A CA 1.618 53.666 52.037 0.019 0.000 0.620 510 A CB -0.491 18.516 19.000 0.012 0.000 0.819 510 A HN 0.433 nan 8.150 nan 0.000 0.442 511 D N -0.275 120.125 120.400 -0.000 0.000 2.116 511 D HA -0.163 4.484 4.640 0.012 0.000 0.193 511 D C 1.924 178.223 176.300 -0.002 0.000 0.998 511 D CA 1.369 55.365 54.000 -0.007 0.000 0.836 511 D CB -0.225 40.569 40.800 -0.010 0.000 0.951 511 D HN 0.430 nan 8.370 nan 0.000 0.449 512 E N 0.794 120.996 120.200 0.004 0.000 2.047 512 E HA -0.106 4.251 4.350 0.012 0.000 0.191 512 E C 2.213 178.818 176.600 0.009 0.000 0.987 512 E CA 0.677 57.080 56.400 0.006 0.000 0.799 512 E CB 0.058 29.763 29.700 0.009 0.000 0.752 512 E HN 0.251 nan 8.360 nan 0.000 0.449 513 R N 0.070 120.580 120.500 0.016 0.000 2.073 513 R HA -0.061 4.286 4.340 0.012 0.000 0.234 513 R C 2.727 179.036 176.300 0.015 0.000 1.134 513 R CA 1.114 57.227 56.100 0.021 0.000 0.952 513 R CB -0.390 29.930 30.300 0.033 0.000 0.850 513 R HN 0.169 nan 8.270 nan 0.000 0.433 514 L N 0.212 121.442 121.223 0.011 0.000 2.012 514 L HA -0.214 4.133 4.340 0.012 0.000 0.210 514 L C 2.697 179.567 176.870 -0.001 0.000 1.073 514 L CA 1.412 56.257 54.840 0.008 0.000 0.748 514 L CB -0.629 41.432 42.059 0.003 0.000 0.891 514 L HN 0.290 nan 8.230 nan 0.000 0.431 515 A N -0.322 122.493 122.820 -0.008 0.000 1.940 515 A HA -0.234 4.093 4.320 0.012 0.000 0.219 515 A C 2.312 179.886 177.584 -0.016 0.000 1.176 515 A CA 1.707 53.733 52.037 -0.019 0.000 0.631 515 A CB -0.393 18.598 19.000 -0.015 0.000 0.814 515 A HN 0.234 nan 8.150 nan 0.000 0.446 516 R N -1.121 119.379 120.500 -0.001 0.000 2.057 516 R HA -0.003 4.344 4.340 0.012 0.000 0.229 516 R C 2.096 178.403 176.300 0.011 0.000 1.136 516 R CA 1.444 57.549 56.100 0.008 0.000 0.952 516 R CB -1.084 29.224 30.300 0.015 0.000 0.848 516 R HN 0.319 nan 8.270 nan 0.000 0.430 517 V N 0.307 120.229 119.914 0.013 0.000 2.719 517 V HA -0.006 4.121 4.120 0.012 0.000 0.252 517 V C 1.533 177.634 176.094 0.013 0.000 1.065 517 V CA 1.189 63.499 62.300 0.017 0.000 1.086 517 V CB -0.109 31.725 31.823 0.017 0.000 0.700 517 V HN 0.261 nan 8.190 nan 0.000 0.467 518 L N -0.393 120.831 121.223 0.001 0.000 2.610 518 L HA 0.005 4.352 4.340 0.012 0.000 0.232 518 L C 2.056 178.864 176.870 -0.103 0.000 1.149 518 L CA 0.950 55.779 54.840 -0.018 0.000 0.872 518 L CB -0.373 41.683 42.059 -0.005 0.000 0.992 518 L HN 0.336 nan 8.230 nan 0.000 0.447 519 T N -1.762 112.747 114.554 -0.076 0.000 3.045 519 T HA -0.060 4.297 4.350 0.012 0.000 0.239 519 T C 2.068 176.810 174.700 0.070 0.000 1.008 519 T CA 1.089 63.128 62.100 -0.100 0.000 1.143 519 T CB 0.212 69.052 68.868 -0.046 0.000 0.894 519 T HN 0.436 nan 8.240 nan 0.000 0.451 520 S N 1.901 117.642 115.700 0.067 0.000 2.368 520 S HA -0.150 4.327 4.470 0.012 0.000 0.224 520 S C 1.788 176.442 174.600 0.090 0.000 1.029 520 S CA 1.435 59.691 58.200 0.093 0.000 0.988 520 S CB -0.653 62.585 63.200 0.064 0.000 0.838 520 S HN 0.338 nan 8.310 nan 0.000 0.462 521 D N 3.103 123.537 120.400 0.056 0.000 2.103 521 D HA -0.060 4.587 4.640 0.012 0.000 0.190 521 D C -0.405 175.926 176.300 0.051 0.000 0.997 521 D CA 1.839 55.864 54.000 0.041 0.000 0.833 521 D CB -0.889 39.926 40.800 0.025 0.000 0.961 521 D HN 0.406 nan 8.370 nan 0.000 0.447 522 P HA 0.020 nan 4.420 nan 0.000 0.225 522 P C 1.590 179.015 177.300 0.209 0.000 1.156 522 P CA 1.402 64.561 63.100 0.099 0.000 0.787 522 P CB -0.180 31.562 31.700 0.071 0.000 0.802 523 G N 0.443 109.417 108.800 0.290 0.000 2.422 523 G HA2 -0.251 3.716 3.960 0.012 0.000 0.218 523 G HA3 -0.251 3.716 3.960 0.012 0.000 0.218 523 G C 1.610 176.571 174.900 0.101 0.000 1.146 523 G CA 0.568 45.814 45.100 0.243 0.000 0.769 523 G HN 0.141 nan 8.290 nan 0.000 0.547 524 M N 1.145 120.811 119.600 0.109 0.000 2.159 524 M HA -0.053 4.434 4.480 0.012 0.000 0.263 524 M C 2.681 179.013 176.300 0.053 0.000 1.063 524 M CA 1.696 57.065 55.300 0.115 0.000 1.110 524 M CB -0.766 31.911 32.600 0.128 0.000 1.374 524 M HN 0.294 nan 8.290 nan 0.000 0.411 525 G N 0.682 109.494 108.800 0.020 0.000 2.422 525 G HA2 -0.194 3.773 3.960 0.012 0.000 0.218 525 G HA3 -0.194 3.773 3.960 0.012 0.000 0.218 525 G C 1.366 176.273 174.900 0.010 0.000 1.146 525 G CA 0.513 45.605 45.100 -0.014 0.000 0.769 525 G HN 0.380 nan 8.290 nan 0.000 0.547 526 I N 2.080 122.636 120.570 -0.025 0.000 2.202 526 I HA -0.106 4.071 4.170 0.012 0.000 0.242 526 I C 2.905 178.999 176.117 -0.038 0.000 1.091 526 I CA 0.926 62.191 61.300 -0.058 0.000 1.368 526 I CB -1.199 36.704 38.000 -0.161 0.000 1.058 526 I HN 0.385 nan 8.210 nan 0.000 0.410 527 I N -1.442 119.110 120.570 -0.031 0.000 2.614 527 I HA -0.169 4.008 4.170 0.012 0.000 0.258 527 I C 2.648 178.657 176.117 -0.179 0.000 1.189 527 I CA 1.213 62.509 61.300 -0.006 0.000 1.462 527 I CB -0.519 37.555 38.000 0.123 0.000 1.092 527 I HN 0.118 nan 8.210 nan 0.000 0.442 528 R N 0.943 121.200 120.500 -0.405 0.000 2.093 528 R HA -0.112 4.235 4.340 0.012 0.000 0.224 528 R C 2.048 177.948 176.300 -0.666 0.000 1.101 528 R CA 1.605 57.042 56.100 -1.104 0.000 0.979 528 R CB -0.389 29.265 30.300 -1.076 0.000 0.877 528 R HN 0.476 nan 8.270 nan 0.000 0.441 529 H N -0.315 118.571 119.070 -0.306 0.000 2.436 529 H HA 0.148 4.710 4.556 0.011 0.000 0.294 529 H C 1.800 177.154 175.328 0.043 0.000 1.048 529 H CA 1.334 57.337 56.048 -0.074 0.000 1.353 529 H CB 0.066 29.772 29.762 -0.094 0.000 1.414 529 H HN 0.321 nan 8.280 nan 0.000 0.536 530 A N 0.446 123.307 122.820 0.069 0.000 1.930 530 A HA -0.193 4.134 4.320 0.012 0.000 0.217 530 A C 2.147 179.743 177.584 0.020 0.000 1.175 530 A CA 1.716 53.784 52.037 0.052 0.000 0.627 530 A CB -0.371 18.642 19.000 0.021 0.000 0.815 530 A HN 0.503 nan 8.150 nan 0.000 0.443 531 D N 0.230 120.618 120.400 -0.021 0.000 2.178 531 D HA -0.076 4.571 4.640 0.012 0.000 0.201 531 D C 1.939 178.240 176.300 0.003 0.000 0.980 531 D CA 1.269 55.288 54.000 0.031 0.000 0.842 531 D CB -0.047 40.831 40.800 0.131 0.000 0.948 531 D HN 0.341 nan 8.370 nan 0.000 0.472 532 A N -0.207 122.582 122.820 -0.052 0.000 2.119 532 A HA 0.235 4.562 4.320 0.012 0.000 0.217 532 A C 1.831 179.342 177.584 -0.122 0.000 1.153 532 A CA 1.623 53.626 52.037 -0.057 0.000 0.692 532 A CB -0.237 18.752 19.000 -0.019 0.000 0.799 532 A HN 0.472 nan 8.150 nan 0.000 0.458 533 G N -3.088 105.663 108.800 -0.082 0.000 2.168 533 G HA2 -0.217 3.750 3.960 0.012 0.000 0.197 533 G HA3 -0.217 3.750 3.960 0.012 0.000 0.197 533 G C -0.134 174.660 174.900 -0.178 0.000 0.997 533 G CA -0.081 44.938 45.100 -0.135 0.000 0.658 533 G HN 0.340 nan 8.290 nan 0.000 0.513 534 Y N 1.884 122.184 120.300 0.000 0.000 2.587 534 Y HA 0.362 4.920 4.550 0.012 0.000 0.344 534 Y C 1.767 177.672 175.900 0.007 0.000 1.061 534 Y CA 0.600 58.711 58.100 0.018 0.000 1.370 534 Y CB 0.524 39.023 38.460 0.065 0.000 1.163 534 Y HN 0.362 nan 8.280 nan 0.000 0.527 535 E N 1.524 121.781 120.200 0.094 0.000 2.086 535 E HA -0.328 4.029 4.350 0.012 0.000 0.200 535 E C 2.074 178.712 176.600 0.062 0.000 1.012 535 E CA 1.622 58.055 56.400 0.055 0.000 0.812 535 E CB 0.018 29.736 29.700 0.030 0.000 0.743 535 E HN 0.451 nan 8.360 nan 0.000 0.453 536 R N 0.860 121.409 120.500 0.081 0.000 2.081 536 R HA -0.074 4.273 4.340 0.012 0.000 0.235 536 R C 1.945 178.266 176.300 0.034 0.000 1.131 536 R CA 1.720 57.847 56.100 0.046 0.000 0.960 536 R CB -0.793 29.528 30.300 0.035 0.000 0.856 536 R HN 0.187 nan 8.270 nan 0.000 0.436 537 A N -0.314 122.545 122.820 0.066 0.000 1.933 537 A HA -0.091 4.236 4.320 0.012 0.000 0.218 537 A C 2.324 179.919 177.584 0.017 0.000 1.175 537 A CA 1.764 53.825 52.037 0.041 0.000 0.628 537 A CB -0.650 18.419 19.000 0.114 0.000 0.814 537 A HN 0.184 nan 8.150 nan 0.000 0.444 538 V N -0.132 119.802 119.914 0.033 0.000 2.427 538 V HA -0.242 3.885 4.120 0.012 0.000 0.248 538 V C 2.404 178.496 176.094 -0.003 0.000 1.051 538 V CA 2.144 64.451 62.300 0.012 0.000 1.048 538 V CB -0.768 31.065 31.823 0.015 0.000 0.666 538 V HN 0.614 nan 8.190 nan 0.000 0.456 539 E N -0.031 120.170 120.200 0.002 0.000 2.051 539 E HA -0.183 4.174 4.350 0.012 0.000 0.192 539 E C 2.287 178.877 176.600 -0.017 0.000 0.991 539 E CA 1.603 58.001 56.400 -0.003 0.000 0.799 539 E CB -0.171 29.532 29.700 0.005 0.000 0.748 539 E HN 0.436 nan 8.360 nan 0.000 0.449 540 V N 1.278 121.176 119.914 -0.028 0.000 2.407 540 V HA -0.289 3.838 4.120 0.012 0.000 0.248 540 V C 2.300 178.333 176.094 -0.101 0.000 1.055 540 V CA 1.775 64.042 62.300 -0.055 0.000 1.049 540 V CB -0.709 31.073 31.823 -0.068 0.000 0.662 540 V HN 0.321 nan 8.190 nan 0.000 0.455 541 A N -0.243 122.518 122.820 -0.098 0.000 1.877 541 A HA -0.266 4.061 4.320 0.012 0.000 0.216 541 A C 2.383 179.924 177.584 -0.071 0.000 1.186 541 A CA 2.189 54.158 52.037 -0.114 0.000 0.620 541 A CB -0.490 18.467 19.000 -0.072 0.000 0.822 541 A HN 0.489 nan 8.150 nan 0.000 0.443 542 K N -0.128 120.249 120.400 -0.039 0.000 2.026 542 K HA -0.187 4.140 4.320 0.012 0.000 0.208 542 K C 1.907 178.500 176.600 -0.013 0.000 1.048 542 K CA 1.742 58.017 56.287 -0.019 0.000 0.929 542 K CB -0.264 32.231 32.500 -0.009 0.000 0.713 542 K HN 0.627 nan 8.250 nan 0.000 0.439 543 E N 0.189 120.381 120.200 -0.013 0.000 2.085 543 E HA -0.231 4.126 4.350 0.012 0.000 0.194 543 E C 1.874 178.483 176.600 0.014 0.000 0.994 543 E CA 1.384 57.786 56.400 0.004 0.000 0.801 543 E CB 0.031 29.736 29.700 0.009 0.000 0.743 543 E HN 0.290 nan 8.360 nan 0.000 0.453 544 Q N -0.110 119.685 119.800 -0.009 0.000 2.319 544 Q HA -0.005 4.342 4.340 0.012 0.000 0.202 544 Q C -0.744 175.268 176.000 0.019 0.000 0.896 544 Q CA 0.092 55.911 55.803 0.027 0.000 0.942 544 Q CB 0.715 29.461 28.738 0.013 0.000 1.083 544 Q HN 0.113 nan 8.270 nan 0.000 0.510 545 D N -0.236 120.160 120.400 -0.008 0.000 2.800 545 D HA -0.215 4.432 4.640 0.012 0.000 0.232 545 D C -0.772 175.522 176.300 -0.011 0.000 1.137 545 D CA 0.636 54.637 54.000 0.001 0.000 0.718 545 D CB -1.351 39.465 40.800 0.027 0.000 1.084 545 D HN 0.381 nan 8.370 nan 0.000 0.432 546 I N 1.467 121.996 120.570 -0.068 0.000 2.471 546 I HA -0.001 4.176 4.170 0.012 0.000 0.286 546 I C 1.274 177.372 176.117 -0.031 0.000 1.079 546 I CA -0.468 60.784 61.300 -0.081 0.000 1.398 546 I CB 0.614 38.486 38.000 -0.214 0.000 1.403 546 I HN -0.103 nan 8.210 nan 0.000 0.530 547 I N 7.843 128.414 120.570 0.001 0.000 2.587 547 I HA 0.016 4.193 4.170 0.012 0.000 0.284 547 I C 0.215 176.346 176.117 0.023 0.000 1.134 547 I CA 0.231 61.539 61.300 0.014 0.000 1.410 547 I CB 0.358 38.373 38.000 0.024 0.000 1.392 547 I HN 0.183 nan 8.210 nan 0.000 0.545 548 V N 9.934 129.861 119.914 0.022 0.000 2.289 548 V HA 0.174 4.301 4.120 0.012 0.000 0.272 548 V C -1.370 174.743 176.094 0.032 0.000 1.026 548 V CA -1.105 61.216 62.300 0.036 0.000 0.807 548 V CB 1.194 33.035 31.823 0.030 0.000 1.044 548 V HN 0.556 nan 8.190 nan 0.000 0.443 549 P HA -0.219 nan 4.420 nan 0.000 0.219 549 P C 1.812 179.124 177.300 0.019 0.000 1.153 549 P CA 1.575 64.689 63.100 0.023 0.000 0.865 549 P CB 0.078 31.791 31.700 0.021 0.000 0.788 550 M N -1.658 117.958 119.600 0.025 0.000 2.476 550 M HA -0.035 4.452 4.480 0.012 0.000 0.262 550 M C 0.807 177.116 176.300 0.015 0.000 1.079 550 M CA 1.100 56.412 55.300 0.020 0.000 1.104 550 M CB -1.168 31.448 32.600 0.026 0.000 1.409 550 M HN 0.160 nan 8.290 nan 0.000 0.467 551 Q N 0.915 120.725 119.800 0.016 0.000 2.327 551 Q HA 0.214 4.561 4.340 0.012 0.000 0.254 551 Q C -0.245 175.760 176.000 0.009 0.000 0.952 551 Q CA 0.206 56.016 55.803 0.012 0.000 0.884 551 Q CB 1.168 29.913 28.738 0.011 0.000 1.224 551 Q HN 0.159 nan 8.270 nan 0.000 0.422 552 K N 0.000 120.404 120.400 0.006 0.000 2.780 552 K HA 0.000 4.327 4.320 0.012 0.000 0.191 552 K CA 0.000 56.290 56.287 0.005 0.000 0.838 552 K CB 0.000 32.502 32.500 0.004 0.000 1.064 552 K HN 0.000 nan 8.250 nan 0.000 0.543