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 2ji9_1_A DATA FIRST_RESID 7 DATA SEQUENCE VELTDGFHVL IDALKMNDID TMYGVVGIPI TNLARMWQDD GQRFYSFRHE DATA SEQUENCE QHAGYAASIA GYIEGKPGVC LTVSAPGFLN GVTSLAHATT NCFPMILLSG DATA SEQUENCE SSEREIVDLQ QGDYEEMDQM NVARPHCKAS FRINSIKDIP IGIARAVRTA DATA SEQUENCE VSGRPGGVYV DLPAKLFGQT ISVEEANKLL FKPIDPAPAQ IPAEDAIARA DATA SEQUENCE ADLIKNAKRP VIMLGKGAAY AQCDDEIRAL VEETGIPFLP MGMAKGLLPD DATA SEQUENCE NHPQSAAATR AFALAQCDVC VLIGARLNWL MQHGKGKTWG DELKKYVQID DATA SEQUENCE IQANEMDSNQ PIAAPVVGDI KSAVSLLRKA LKGAPKADAE WTGALKAKVD DATA SEQUENCE GNKAKLAGKM TAETPSGMMN YSNSLGVVRD FMLANPDISL VNEGANALDN DATA SEQUENCE TRMIVDMLKP RKRLDSGTWG VMGIGMGYCV AAAAVTGKPV IAVEGDSAFG DATA SEQUENCE FSGMELETIC RYNLPVTVII MNNGGIYKGN EADPQPGVIS CTRLTRGRYD DATA SEQUENCE MMMEAFGGKG YVANTPAELK AALEEAVASG KPCLINAMID PDAGVES 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 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.103 176.094 0.015 0.000 1.182 7 V CA 0.000 62.307 62.300 0.012 0.000 1.235 7 V CB 0.000 31.830 31.823 0.012 0.000 1.184 8 E N 3.690 123.899 120.200 0.015 0.000 2.383 8 E HA 0.590 4.940 4.350 0.001 0.000 0.264 8 E C -1.408 175.207 176.600 0.025 0.000 1.050 8 E CA -0.315 56.095 56.400 0.018 0.000 0.896 8 E CB 0.963 30.671 29.700 0.012 0.000 0.982 8 E HN 0.568 nan 8.360 nan 0.000 0.424 9 L N 2.325 123.568 121.223 0.033 0.000 2.370 9 L HA 0.439 4.780 4.340 0.001 0.000 0.266 9 L C 0.115 177.025 176.870 0.066 0.000 1.002 9 L CA -0.775 54.093 54.840 0.047 0.000 0.818 9 L CB 2.197 44.286 42.059 0.050 0.000 1.325 9 L HN 0.539 nan 8.230 nan 0.000 0.418 10 T N -0.424 114.181 114.554 0.085 0.000 2.940 10 T HA 0.557 4.908 4.350 0.001 0.000 0.288 10 T C -1.414 173.381 174.700 0.159 0.000 1.045 10 T CA -0.485 61.700 62.100 0.140 0.000 1.018 10 T CB 1.664 70.609 68.868 0.129 0.000 1.151 10 T HN 0.786 nan 8.240 nan 0.000 0.529 11 D N -0.433 120.106 120.400 0.233 0.000 2.553 11 D HA 0.459 5.099 4.640 0.001 0.000 0.249 11 D C 1.419 177.798 176.300 0.131 0.000 1.062 11 D CA -0.270 53.829 54.000 0.165 0.000 1.085 11 D CB 0.351 41.269 40.800 0.197 0.000 1.350 11 D HN 0.632 nan 8.370 nan 0.000 0.575 12 G N -0.406 108.412 108.800 0.032 0.000 2.440 12 G HA2 -0.262 3.698 3.960 0.001 0.000 0.218 12 G HA3 -0.262 3.698 3.960 0.001 0.000 0.218 12 G C 1.293 176.236 174.900 0.071 0.000 1.154 12 G CA 0.512 45.598 45.100 -0.024 0.000 0.767 12 G HN 0.449 nan 8.290 nan 0.000 0.552 13 F N 0.466 120.493 119.950 0.128 0.000 2.065 13 F HA -0.141 4.387 4.527 0.001 0.000 0.298 13 F C 2.738 178.539 175.800 0.002 0.000 1.112 13 F CA 1.965 59.978 58.000 0.021 0.000 1.212 13 F CB -0.397 38.454 39.000 -0.248 0.000 0.975 13 F HN 0.225 nan 8.300 nan 0.000 0.476 14 H N -1.486 117.773 119.070 0.315 0.000 2.403 14 H HA -0.068 4.488 4.556 0.001 0.000 0.298 14 H C 2.194 177.618 175.328 0.161 0.000 1.059 14 H CA 0.986 57.159 56.048 0.208 0.000 1.363 14 H CB -0.182 29.672 29.762 0.153 0.000 1.410 14 H HN 0.014 nan 8.280 nan 0.000 0.528 15 V N 0.851 120.912 119.914 0.245 0.000 2.407 15 V HA -0.222 3.898 4.120 0.001 0.000 0.248 15 V C 2.295 178.473 176.094 0.139 0.000 1.055 15 V CA 1.389 63.782 62.300 0.155 0.000 1.049 15 V CB -0.448 31.435 31.823 0.100 0.000 0.662 15 V HN 0.289 nan 8.190 nan 0.000 0.455 16 L N -0.097 121.219 121.223 0.155 0.000 2.056 16 L HA -0.090 4.251 4.340 0.001 0.000 0.207 16 L C 2.141 179.127 176.870 0.194 0.000 1.078 16 L CA 1.792 56.719 54.840 0.145 0.000 0.749 16 L CB -0.503 41.660 42.059 0.173 0.000 0.901 16 L HN 0.210 nan 8.230 nan 0.000 0.433 17 I N -0.397 120.344 120.570 0.284 0.000 2.179 17 I HA -0.284 3.886 4.170 0.001 0.000 0.242 17 I C 2.013 178.338 176.117 0.346 0.000 1.088 17 I CA 1.410 62.968 61.300 0.430 0.000 1.357 17 I CB -0.494 37.780 38.000 0.457 0.000 1.051 17 I HN 0.261 nan 8.210 nan 0.000 0.409 18 D N 0.982 121.519 120.400 0.229 0.000 2.117 18 D HA -0.137 4.504 4.640 0.001 0.000 0.197 18 D C 2.244 178.609 176.300 0.109 0.000 0.987 18 D CA 1.529 55.616 54.000 0.146 0.000 0.829 18 D CB -0.219 40.648 40.800 0.112 0.000 0.961 18 D HN 0.347 nan 8.370 nan 0.000 0.460 19 A N 0.610 123.486 122.820 0.094 0.000 1.902 19 A HA -0.113 4.208 4.320 0.001 0.000 0.217 19 A C 2.382 179.988 177.584 0.037 0.000 1.181 19 A CA 0.873 52.924 52.037 0.023 0.000 0.623 19 A CB -0.797 18.204 19.000 0.002 0.000 0.818 19 A HN 0.197 nan 8.150 nan 0.000 0.443 20 L N -0.802 120.487 121.223 0.111 0.000 2.042 20 L HA -0.227 4.113 4.340 0.001 0.000 0.210 20 L C 2.622 179.614 176.870 0.204 0.000 1.076 20 L CA 1.872 56.800 54.840 0.145 0.000 0.749 20 L CB -0.384 41.770 42.059 0.160 0.000 0.893 20 L HN 0.355 nan 8.230 nan 0.000 0.432 21 K N -0.627 119.917 120.400 0.240 0.000 2.097 21 K HA -0.182 4.138 4.320 0.001 0.000 0.205 21 K C 2.090 178.737 176.600 0.078 0.000 1.050 21 K CA 1.382 57.767 56.287 0.163 0.000 0.938 21 K CB -0.146 32.414 32.500 0.100 0.000 0.718 21 K HN 0.138 nan 8.250 nan 0.000 0.442 22 M N 1.224 120.851 119.600 0.046 0.000 2.267 22 M HA -0.142 4.338 4.480 0.001 0.000 0.263 22 M C 0.794 177.084 176.300 -0.017 0.000 1.063 22 M CA 1.473 56.773 55.300 -0.001 0.000 1.090 22 M CB 0.173 32.749 32.600 -0.040 0.000 1.392 22 M HN 0.046 nan 8.290 nan 0.000 0.422 23 N N 0.476 119.172 118.700 -0.007 0.000 2.313 23 N HA -0.019 4.722 4.740 0.001 0.000 0.207 23 N C -0.639 174.893 175.510 0.037 0.000 1.141 23 N CA 0.387 53.433 53.050 -0.006 0.000 0.830 23 N CB 0.171 38.644 38.487 -0.023 0.000 1.008 23 N HN 0.320 nan 8.380 nan 0.000 0.481 24 D N 0.476 120.908 120.400 0.054 0.000 2.981 24 D HA -0.148 4.493 4.640 0.001 0.000 0.223 24 D C -0.308 176.054 176.300 0.103 0.000 1.151 24 D CA 0.653 54.692 54.000 0.065 0.000 0.827 24 D CB -1.089 39.736 40.800 0.043 0.000 1.101 24 D HN 0.272 nan 8.370 nan 0.000 0.426 25 I N 1.546 122.210 120.570 0.158 0.000 2.371 25 I HA 0.153 4.324 4.170 0.001 0.000 0.290 25 I C 1.336 177.669 176.117 0.361 0.000 1.028 25 I CA 0.051 61.493 61.300 0.237 0.000 1.345 25 I CB 1.197 39.332 38.000 0.225 0.000 1.407 25 I HN -0.080 nan 8.210 nan 0.000 0.501 26 D N 1.913 122.501 120.400 0.314 0.000 2.527 26 D HA 0.088 4.729 4.640 0.001 0.000 0.224 26 D C -0.125 176.384 176.300 0.349 0.000 1.217 26 D CA -0.074 54.071 54.000 0.241 0.000 0.819 26 D CB 0.574 41.408 40.800 0.057 0.000 1.061 26 D HN 0.340 nan 8.370 nan 0.000 0.515 27 T N 0.493 115.296 114.554 0.414 0.000 2.952 27 T HA 0.534 4.885 4.350 0.001 0.000 0.305 27 T C -0.640 174.071 174.700 0.019 0.000 1.064 27 T CA -0.586 61.647 62.100 0.222 0.000 1.008 27 T CB 2.004 70.894 68.868 0.037 0.000 1.078 27 T HN -0.025 nan 8.240 nan 0.000 0.459 28 M N 2.500 122.014 119.600 -0.142 0.000 2.518 28 M HA 0.528 5.009 4.480 0.001 0.000 0.300 28 M C -1.710 174.174 176.300 -0.694 0.000 1.175 28 M CA -0.852 54.220 55.300 -0.379 0.000 0.890 28 M CB 2.514 34.913 32.600 -0.335 0.000 1.710 28 M HN 0.637 nan 8.290 nan 0.000 0.453 29 Y N 0.247 120.411 120.300 -0.227 0.000 2.341 29 Y HA 0.804 5.355 4.550 0.001 0.000 0.338 29 Y C 0.496 176.219 175.900 -0.295 0.000 0.965 29 Y CA -0.527 57.453 58.100 -0.199 0.000 1.108 29 Y CB 2.042 40.429 38.460 -0.122 0.000 1.180 29 Y HN 0.818 nan 8.280 nan 0.000 0.458 30 G N 0.629 109.358 108.800 -0.119 0.000 2.490 30 G HA2 0.603 4.563 3.960 0.001 0.000 0.308 30 G HA3 0.603 4.563 3.960 0.001 0.000 0.308 30 G C -2.186 172.930 174.900 0.360 0.000 1.286 30 G CA -0.765 44.411 45.100 0.127 0.000 0.825 30 G HN 0.410 nan 8.290 nan 0.000 0.479 31 V N 0.365 120.492 119.914 0.355 0.000 2.760 31 V HA 0.672 4.793 4.120 0.001 0.000 0.309 31 V C 0.607 176.858 176.094 0.262 0.000 1.077 31 V CA -0.423 62.070 62.300 0.322 0.000 0.910 31 V CB 1.200 33.148 31.823 0.207 0.000 1.008 31 V HN 1.278 nan 8.190 nan 0.000 0.424 32 V N 1.430 121.469 119.914 0.208 0.000 3.553 32 V HA 1.133 5.254 4.120 0.001 0.000 0.287 32 V C 0.512 176.656 176.094 0.084 0.000 1.111 32 V CA 0.233 62.595 62.300 0.103 0.000 0.950 32 V CB 1.049 32.876 31.823 0.007 0.000 1.243 32 V HN 2.104 nan 8.190 nan 0.000 0.443 33 G N -0.909 107.921 108.800 0.050 0.000 2.371 33 G HA2 0.022 3.983 3.960 0.001 0.000 0.663 33 G HA3 0.022 3.983 3.960 0.001 0.000 0.663 33 G C -0.878 174.066 174.900 0.074 0.000 1.311 33 G CA -0.548 44.592 45.100 0.066 0.000 0.985 33 G HN 1.083 nan 8.290 nan 0.000 0.566 34 I N 1.797 122.428 120.570 0.102 0.000 2.710 34 I HA 0.222 4.392 4.170 0.001 0.000 0.286 34 I C -1.086 175.144 176.117 0.188 0.000 1.181 34 I CA -1.099 60.272 61.300 0.118 0.000 1.430 34 I CB 1.232 39.282 38.000 0.083 0.000 1.367 34 I HN 0.353 nan 8.210 nan 0.000 0.577 35 P HA 0.159 nan 4.420 nan 0.000 0.254 35 P C 0.264 177.594 177.300 0.050 0.000 1.620 35 P CA 0.076 63.259 63.100 0.137 0.000 1.050 35 P CB -0.158 31.669 31.700 0.212 0.000 1.539 36 I N -5.677 114.895 120.570 0.003 0.000 4.081 36 I HA 0.285 4.456 4.170 0.001 0.000 0.333 36 I C 1.274 177.313 176.117 -0.131 0.000 1.413 36 I CA -0.036 61.191 61.300 -0.121 0.000 1.110 36 I CB -0.996 36.985 38.000 -0.032 0.000 1.082 36 I HN -0.383 nan 8.210 nan 0.000 0.402 37 T N 1.043 115.538 114.554 -0.099 0.000 2.708 37 T HA -0.092 4.259 4.350 0.001 0.000 0.266 37 T C 1.672 176.240 174.700 -0.221 0.000 1.037 37 T CA 1.945 63.962 62.100 -0.139 0.000 1.146 37 T CB -0.402 68.412 68.868 -0.089 0.000 0.865 37 T HN 0.442 nan 8.240 nan 0.000 0.435 38 N N 1.122 119.669 118.700 -0.255 0.000 2.453 38 N HA -0.006 4.735 4.740 0.001 0.000 0.183 38 N C 1.706 176.891 175.510 -0.542 0.000 1.041 38 N CA 0.412 53.202 53.050 -0.434 0.000 0.900 38 N CB -0.203 37.923 38.487 -0.601 0.000 0.961 38 N HN 0.234 nan 8.380 nan 0.000 0.443 39 L N 1.322 122.340 121.223 -0.342 0.000 2.044 39 L HA 0.024 4.364 4.340 0.001 0.000 0.205 39 L C 2.254 179.035 176.870 -0.150 0.000 1.075 39 L CA 1.312 56.057 54.840 -0.157 0.000 0.747 39 L CB -0.798 41.189 42.059 -0.119 0.000 0.903 39 L HN 0.042 nan 8.230 nan 0.000 0.435 40 A N -0.287 122.354 122.820 -0.298 0.000 1.908 40 A HA -0.252 4.068 4.320 0.001 0.000 0.218 40 A C 2.441 179.844 177.584 -0.303 0.000 1.181 40 A CA 2.032 53.739 52.037 -0.550 0.000 0.627 40 A CB -0.584 17.841 19.000 -0.958 0.000 0.818 40 A HN 0.504 nan 8.150 nan 0.000 0.445 41 R N -1.302 119.051 120.500 -0.245 0.000 2.066 41 R HA -0.037 4.304 4.340 0.001 0.000 0.232 41 R C 2.282 178.530 176.300 -0.086 0.000 1.131 41 R CA 1.814 57.819 56.100 -0.157 0.000 0.955 41 R CB -0.359 29.836 30.300 -0.176 0.000 0.851 41 R HN 0.556 nan 8.270 nan 0.000 0.432 42 M N -0.692 118.847 119.600 -0.101 0.000 2.296 42 M HA -0.175 4.306 4.480 0.001 0.000 0.265 42 M C 2.021 178.387 176.300 0.109 0.000 1.064 42 M CA 1.231 56.518 55.300 -0.022 0.000 1.109 42 M CB -0.241 32.296 32.600 -0.105 0.000 1.396 42 M HN 0.376 nan 8.290 nan 0.000 0.430 43 W N 1.650 122.915 121.300 -0.058 0.000 2.335 43 W HA -0.245 4.416 4.660 0.001 0.000 0.311 43 W C 1.894 178.414 176.519 0.001 0.000 1.213 43 W CA 1.707 59.053 57.345 0.003 0.000 1.274 43 W CB -0.242 29.237 29.460 0.032 0.000 1.148 43 W HN 0.307 nan 8.180 nan 0.000 0.498 44 Q N -0.112 119.725 119.800 0.061 0.000 2.079 44 Q HA -0.192 4.148 4.340 0.001 0.000 0.200 44 Q C 1.701 177.658 176.000 -0.072 0.000 0.974 44 Q CA 1.613 57.396 55.803 -0.034 0.000 0.840 44 Q CB -0.429 28.318 28.738 0.015 0.000 0.898 44 Q HN 0.164 nan 8.270 nan 0.000 0.430 45 D N 1.109 121.482 120.400 -0.045 0.000 2.104 45 D HA -0.181 4.459 4.640 0.001 0.000 0.194 45 D C 1.295 177.557 176.300 -0.063 0.000 0.994 45 D CA 1.396 55.370 54.000 -0.043 0.000 0.830 45 D CB -0.356 40.431 40.800 -0.022 0.000 0.959 45 D HN 0.225 nan 8.370 nan 0.000 0.452 46 D N -1.210 119.144 120.400 -0.076 0.000 2.310 46 D HA -0.004 4.637 4.640 0.001 0.000 0.212 46 D C 1.206 177.399 176.300 -0.179 0.000 0.965 46 D CA 1.435 55.368 54.000 -0.111 0.000 0.879 46 D CB 0.028 40.766 40.800 -0.102 0.000 0.921 46 D HN 0.295 nan 8.370 nan 0.000 0.510 47 G N -0.742 107.931 108.800 -0.212 0.000 2.154 47 G HA2 -0.188 3.773 3.960 0.001 0.000 0.186 47 G HA3 -0.188 3.773 3.960 0.001 0.000 0.186 47 G C -0.024 174.703 174.900 -0.289 0.000 1.000 47 G CA -0.193 44.787 45.100 -0.201 0.000 0.664 47 G HN 0.242 nan 8.290 nan 0.000 0.513 48 Q N 0.056 119.552 119.800 -0.506 0.000 2.204 48 Q HA 0.619 4.959 4.340 0.001 0.000 0.254 48 Q C 0.592 176.346 176.000 -0.410 0.000 0.981 48 Q CA -0.638 54.761 55.803 -0.673 0.000 0.897 48 Q CB 1.255 28.991 28.738 -1.669 0.000 1.273 48 Q HN 0.750 nan 8.270 nan 0.000 0.464 49 R N -0.059 120.354 120.500 -0.144 0.000 2.460 49 R HA 0.640 4.981 4.340 0.001 0.000 0.303 49 R C -1.303 175.098 176.300 0.169 0.000 0.968 49 R CA -0.464 55.608 56.100 -0.047 0.000 0.889 49 R CB 0.863 31.048 30.300 -0.192 0.000 1.123 49 R HN 0.456 nan 8.270 nan 0.000 0.455 50 F N 2.962 122.867 119.950 -0.076 0.000 2.507 50 F HA 0.416 4.944 4.527 0.002 0.000 0.325 50 F C -1.458 174.174 175.800 -0.280 0.000 1.116 50 F CA -0.957 57.032 58.000 -0.019 0.000 0.930 50 F CB 1.493 40.582 39.000 0.149 0.000 1.146 50 F HN 0.497 nan 8.300 nan 0.000 0.447 51 Y N 3.540 123.585 120.300 -0.425 0.000 2.342 51 Y HA 0.369 4.920 4.550 0.002 0.000 0.338 51 Y C 0.335 176.215 175.900 -0.033 0.000 0.965 51 Y CA -0.500 57.402 58.100 -0.331 0.000 1.159 51 Y CB 1.583 39.890 38.460 -0.256 0.000 1.157 51 Y HN 0.403 nan 8.280 nan 0.000 0.486 52 S N 4.321 120.280 115.700 0.431 0.000 2.475 52 S HA 0.482 4.953 4.470 0.001 0.000 0.281 52 S C -0.610 174.210 174.600 0.366 0.000 1.198 52 S CA -0.488 58.021 58.200 0.516 0.000 1.063 52 S CB 0.127 63.629 63.200 0.503 0.000 0.972 52 S HN 0.396 nan 8.310 nan 0.000 0.486 53 F N 1.839 121.947 119.950 0.263 0.000 2.535 53 F HA 0.544 5.071 4.527 0.001 0.000 0.367 53 F C 1.715 177.625 175.800 0.183 0.000 1.096 53 F CA -0.899 57.236 58.000 0.224 0.000 1.088 53 F CB 0.673 39.797 39.000 0.207 0.000 1.387 53 F HN 0.333 nan 8.300 nan 0.000 0.494 54 R N -0.392 120.331 120.500 0.372 0.000 2.290 54 R HA 0.119 4.459 4.340 0.001 0.000 0.197 54 R C -0.380 176.104 176.300 0.306 0.000 0.913 54 R CA 0.410 56.660 56.100 0.251 0.000 1.040 54 R CB -0.340 30.051 30.300 0.152 0.000 0.992 54 R HN 0.478 nan 8.270 nan 0.000 0.500 55 H N -0.222 118.996 119.070 0.247 0.000 3.085 55 H HA 0.174 4.730 4.556 0.001 0.000 0.356 55 H C -0.283 175.064 175.328 0.031 0.000 1.178 55 H CA -0.248 55.875 56.048 0.125 0.000 1.214 55 H CB 1.736 31.579 29.762 0.135 0.000 1.881 55 H HN -0.219 nan 8.280 nan 0.000 0.538 56 E N 2.057 122.291 120.200 0.058 0.000 2.268 56 E HA -0.137 4.213 4.350 0.001 0.000 0.195 56 E C 1.828 178.345 176.600 -0.137 0.000 0.995 56 E CA 0.896 57.281 56.400 -0.027 0.000 0.836 56 E CB 0.287 29.944 29.700 -0.073 0.000 0.763 56 E HN 0.590 nan 8.360 nan 0.000 0.491 57 Q N -0.071 119.673 119.800 -0.094 0.000 2.124 57 Q HA -0.207 4.133 4.340 0.001 0.000 0.202 57 Q C 1.415 176.982 176.000 -0.721 0.000 0.977 57 Q CA 1.270 56.751 55.803 -0.537 0.000 0.850 57 Q CB 0.086 28.383 28.738 -0.735 0.000 0.901 57 Q HN 0.471 nan 8.270 nan 0.000 0.429 58 H N -0.885 118.063 119.070 -0.204 0.000 2.448 58 H HA 0.111 4.668 4.556 0.001 0.000 0.292 58 H C 1.911 176.885 175.328 -0.590 0.000 1.035 58 H CA 1.007 56.966 56.048 -0.148 0.000 1.349 58 H CB -0.150 29.675 29.762 0.106 0.000 1.425 58 H HN 0.404 nan 8.280 nan 0.000 0.539 59 A N 1.000 123.304 122.820 -0.860 0.000 1.972 59 A HA -0.082 4.238 4.320 0.001 0.000 0.219 59 A C 2.762 180.005 177.584 -0.568 0.000 1.169 59 A CA 1.572 52.857 52.037 -1.254 0.000 0.635 59 A CB -1.003 17.595 19.000 -0.669 0.000 0.810 59 A HN 0.453 nan 8.150 nan 0.000 0.446 60 G N -1.915 106.648 108.800 -0.395 0.000 2.403 60 G HA2 -0.132 3.828 3.960 0.001 0.000 0.216 60 G HA3 -0.132 3.828 3.960 0.001 0.000 0.216 60 G C 1.480 176.288 174.900 -0.153 0.000 1.154 60 G CA 0.911 45.853 45.100 -0.263 0.000 0.784 60 G HN 0.619 nan 8.290 nan 0.000 0.538 61 Y N 1.112 121.356 120.300 -0.093 0.000 2.224 61 Y HA -0.041 4.509 4.550 0.001 0.000 0.289 61 Y C 3.216 179.169 175.900 0.089 0.000 1.146 61 Y CA 0.395 58.536 58.100 0.069 0.000 1.182 61 Y CB 0.020 38.488 38.460 0.014 0.000 0.983 61 Y HN 0.285 nan 8.280 nan 0.000 0.524 62 A N 0.524 123.322 122.820 -0.036 0.000 1.858 62 A HA -0.225 4.095 4.320 0.001 0.000 0.216 62 A C 2.434 179.689 177.584 -0.549 0.000 1.190 62 A CA 1.871 53.687 52.037 -0.369 0.000 0.617 62 A CB -1.321 17.253 19.000 -0.710 0.000 0.827 62 A HN 0.429 nan 8.150 nan 0.000 0.443 63 A N 0.364 122.901 122.820 -0.472 0.000 1.892 63 A HA -0.211 4.110 4.320 0.001 0.000 0.218 63 A C 2.569 180.155 177.584 0.003 0.000 1.188 63 A CA 2.994 54.960 52.037 -0.118 0.000 0.631 63 A CB -1.204 17.827 19.000 0.051 0.000 0.822 63 A HN 1.142 nan 8.150 nan 0.000 0.447 64 S N -0.570 115.182 115.700 0.087 0.000 2.356 64 S HA -0.147 4.324 4.470 0.001 0.000 0.223 64 S C 1.826 176.439 174.600 0.022 0.000 1.032 64 S CA 1.565 59.901 58.200 0.226 0.000 1.005 64 S CB -0.538 62.979 63.200 0.528 0.000 0.867 64 S HN 0.368 nan 8.310 nan 0.000 0.449 65 I N 2.289 122.753 120.570 -0.177 0.000 2.617 65 I HA 0.214 4.384 4.170 0.001 0.000 0.256 65 I C 2.545 178.501 176.117 -0.268 0.000 1.167 65 I CA 0.464 61.467 61.300 -0.495 0.000 1.469 65 I CB -0.751 36.647 38.000 -1.003 0.000 1.098 65 I HN 0.384 nan 8.210 nan 0.000 0.436 66 A N 0.043 122.767 122.820 -0.160 0.000 1.972 66 A HA -0.084 4.236 4.320 0.001 0.000 0.219 66 A C 2.401 179.989 177.584 0.007 0.000 1.169 66 A CA 1.617 53.634 52.037 -0.034 0.000 0.635 66 A CB -1.489 17.566 19.000 0.090 0.000 0.810 66 A HN 0.457 nan 8.150 nan 0.000 0.446 67 G N -1.605 107.205 108.800 0.018 0.000 2.404 67 G HA2 -0.229 3.731 3.960 0.001 0.000 0.215 67 G HA3 -0.229 3.731 3.960 0.001 0.000 0.215 67 G C 1.521 176.490 174.900 0.115 0.000 1.174 67 G CA 1.162 46.315 45.100 0.088 0.000 0.780 67 G HN 0.559 nan 8.290 nan 0.000 0.537 68 Y N 1.389 121.545 120.300 -0.238 0.000 2.081 68 Y HA -0.164 4.387 4.550 0.001 0.000 0.280 68 Y C 2.563 178.419 175.900 -0.073 0.000 1.163 68 Y CA 1.734 59.679 58.100 -0.258 0.000 1.135 68 Y CB -0.291 37.555 38.460 -1.024 0.000 0.970 68 Y HN 0.188 nan 8.280 nan 0.000 0.498 69 I N -0.065 120.378 120.570 -0.212 0.000 2.252 69 I HA -0.249 3.922 4.170 0.001 0.000 0.245 69 I C 2.187 178.168 176.117 -0.226 0.000 1.102 69 I CA 1.879 63.026 61.300 -0.255 0.000 1.385 69 I CB -0.319 37.617 38.000 -0.107 0.000 1.064 69 I HN 0.306 nan 8.210 nan 0.000 0.414 70 E N -0.019 120.104 120.200 -0.129 0.000 2.216 70 E HA 0.080 4.430 4.350 0.001 0.000 0.192 70 E C 1.391 177.912 176.600 -0.131 0.000 0.973 70 E CA 0.616 56.957 56.400 -0.098 0.000 0.851 70 E CB 0.357 30.046 29.700 -0.018 0.000 0.804 70 E HN 0.520 nan 8.360 nan 0.000 0.477 71 G N 2.594 111.331 108.800 -0.104 0.000 2.147 71 G HA2 -0.305 3.656 3.960 0.001 0.000 0.244 71 G HA3 -0.305 3.656 3.960 0.001 0.000 0.244 71 G C -0.003 174.920 174.900 0.037 0.000 1.005 71 G CA 0.936 45.972 45.100 -0.107 0.000 0.713 71 G HN 0.317 nan 8.290 nan 0.000 0.515 72 K N -1.028 119.412 120.400 0.067 0.000 2.477 72 K HA 0.744 5.065 4.320 0.001 0.000 0.255 72 K C -3.317 173.350 176.600 0.111 0.000 0.952 72 K CA -2.559 53.779 56.287 0.086 0.000 0.826 72 K CB 2.542 35.078 32.500 0.060 0.000 1.331 72 K HN -0.060 nan 8.250 nan 0.000 0.437 73 P HA 0.049 nan 4.420 nan 0.000 0.267 73 P C -0.169 177.210 177.300 0.131 0.000 1.209 73 P CA 0.048 63.222 63.100 0.123 0.000 0.763 73 P CB 0.678 32.444 31.700 0.109 0.000 0.816 74 G N 2.795 111.682 108.800 0.145 0.000 2.365 74 G HA2 0.345 4.306 3.960 0.001 0.000 0.249 74 G HA3 0.345 4.306 3.960 0.001 0.000 0.249 74 G C -0.516 174.488 174.900 0.173 0.000 1.288 74 G CA -0.212 44.999 45.100 0.186 0.000 0.887 74 G HN 0.358 nan 8.290 nan 0.000 0.524 75 V N 2.375 122.403 119.914 0.189 0.000 2.398 75 V HA 0.402 4.523 4.120 0.001 0.000 0.286 75 V C 0.093 176.265 176.094 0.130 0.000 1.026 75 V CA -0.945 61.421 62.300 0.110 0.000 0.868 75 V CB 1.205 33.038 31.823 0.016 0.000 0.982 75 V HN 0.903 nan 8.190 nan 0.000 0.443 76 C N 6.973 126.335 119.300 0.103 0.000 2.417 76 C HA 0.837 5.298 4.460 0.001 0.000 0.324 76 C C -0.692 174.352 174.990 0.091 0.000 1.240 76 C CA -0.595 58.475 59.018 0.085 0.000 1.632 76 C CB 0.763 28.534 27.740 0.052 0.000 2.241 76 C HN 0.861 nan 8.230 nan 0.000 0.499 77 L N 6.514 127.802 121.223 0.108 0.000 2.343 77 L HA 0.764 5.105 4.340 0.001 0.000 0.278 77 L C 0.314 177.303 176.870 0.199 0.000 0.996 77 L CA 0.494 55.438 54.840 0.174 0.000 0.831 77 L CB 1.818 44.024 42.059 0.245 0.000 1.232 77 L HN 0.973 nan 8.230 nan 0.000 0.413 78 T N 1.801 116.470 114.554 0.190 0.000 2.907 78 T HA 0.738 5.089 4.350 0.001 0.000 0.290 78 T C 0.368 175.178 174.700 0.184 0.000 1.066 78 T CA -0.165 62.038 62.100 0.173 0.000 1.012 78 T CB 1.244 70.199 68.868 0.145 0.000 1.184 78 T HN 0.659 nan 8.240 nan 0.000 0.522 79 V N 0.410 120.418 119.914 0.156 0.000 3.799 79 V HA 0.584 4.704 4.120 0.001 0.000 0.273 79 V C 0.799 176.997 176.094 0.173 0.000 0.973 79 V CA -0.190 62.204 62.300 0.157 0.000 0.979 79 V CB -0.399 31.503 31.823 0.132 0.000 1.242 79 V HN 1.233 nan 8.190 nan 0.000 0.426 80 S N -0.102 115.679 115.700 0.134 0.000 2.640 80 S HA 0.607 5.077 4.470 0.001 0.000 0.262 80 S C 1.480 176.123 174.600 0.071 0.000 1.232 80 S CA -0.028 58.226 58.200 0.091 0.000 0.988 80 S CB 0.242 63.469 63.200 0.046 0.000 1.034 80 S HN 2.121 nan 8.310 nan 0.000 0.569 81 A N 2.207 125.050 122.820 0.038 0.000 2.268 81 A HA -0.281 4.039 4.320 0.001 0.000 0.292 81 A C 0.078 177.719 177.584 0.095 0.000 4.069 81 A CA 2.650 54.727 52.037 0.067 0.000 1.021 81 A CB -3.003 15.975 19.000 -0.036 0.000 0.480 81 A HN 0.788 nan 8.150 nan 0.000 0.425 82 P HA -0.058 nan 4.420 nan 0.000 0.217 82 P C 1.672 178.948 177.300 -0.041 0.000 1.150 82 P CA 2.107 65.191 63.100 -0.027 0.000 0.832 82 P CB -0.677 30.989 31.700 -0.057 0.000 0.787 83 G N -0.421 108.374 108.800 -0.008 0.000 2.394 83 G HA2 -0.257 3.703 3.960 0.001 0.000 0.215 83 G HA3 -0.257 3.703 3.960 0.001 0.000 0.215 83 G C 1.404 176.312 174.900 0.012 0.000 1.165 83 G CA 0.342 45.434 45.100 -0.014 0.000 0.784 83 G HN 0.204 nan 8.290 nan 0.000 0.535 84 F N 1.324 121.249 119.950 -0.042 0.000 2.095 84 F HA -0.029 4.498 4.527 0.001 0.000 0.298 84 F C 2.340 178.074 175.800 -0.109 0.000 1.104 84 F CA 1.269 59.235 58.000 -0.057 0.000 1.232 84 F CB -0.414 38.552 39.000 -0.057 0.000 0.987 84 F HN 0.050 nan 8.300 nan 0.000 0.475 85 L N 0.439 121.441 121.223 -0.369 0.000 2.013 85 L HA -0.319 4.021 4.340 0.001 0.000 0.212 85 L C 2.373 179.006 176.870 -0.394 0.000 1.073 85 L CA 1.676 56.244 54.840 -0.454 0.000 0.753 85 L CB -0.848 41.116 42.059 -0.159 0.000 0.890 85 L HN 0.254 nan 8.230 nan 0.000 0.432 86 N N 0.189 118.738 118.700 -0.253 0.000 2.069 86 N HA -0.156 4.585 4.740 0.001 0.000 0.191 86 N C 1.752 177.106 175.510 -0.261 0.000 1.031 86 N CA 1.664 54.606 53.050 -0.180 0.000 0.852 86 N CB -0.761 37.634 38.487 -0.154 0.000 1.018 86 N HN 0.380 nan 8.380 nan 0.000 0.423 87 G N 0.604 109.236 108.800 -0.279 0.000 2.418 87 G HA2 -0.181 3.779 3.960 0.001 0.000 0.217 87 G HA3 -0.181 3.779 3.960 0.001 0.000 0.217 87 G C 1.634 176.326 174.900 -0.346 0.000 1.158 87 G CA 0.591 45.527 45.100 -0.273 0.000 0.771 87 G HN 0.267 nan 8.290 nan 0.000 0.545 88 V N 1.820 121.402 119.914 -0.554 0.000 2.759 88 V HA -0.146 3.974 4.120 0.001 0.000 0.256 88 V C 3.296 179.136 176.094 -0.424 0.000 1.080 88 V CA 2.718 64.682 62.300 -0.560 0.000 1.101 88 V CB -0.600 30.645 31.823 -0.963 0.000 0.698 88 V HN 0.661 nan 8.190 nan 0.000 0.477 89 T N -2.875 111.440 114.554 -0.398 0.000 2.833 89 T HA -0.159 4.192 4.350 0.001 0.000 0.269 89 T C 1.875 176.477 174.700 -0.163 0.000 1.054 89 T CA 1.892 63.823 62.100 -0.282 0.000 1.135 89 T CB -0.454 68.267 68.868 -0.245 0.000 0.869 89 T HN 0.503 nan 8.240 nan 0.000 0.466 90 S N 1.340 116.870 115.700 -0.283 0.000 2.395 90 S HA 0.163 4.633 4.470 0.001 0.000 0.225 90 S C 1.794 176.411 174.600 0.029 0.000 1.027 90 S CA 0.507 58.559 58.200 -0.247 0.000 0.965 90 S CB -0.530 62.352 63.200 -0.530 0.000 0.812 90 S HN 0.293 nan 8.310 nan 0.000 0.482 91 L N 2.403 123.606 121.223 -0.034 0.000 2.013 91 L HA -0.116 4.225 4.340 0.001 0.000 0.212 91 L C 2.498 179.396 176.870 0.045 0.000 1.073 91 L CA 1.841 56.699 54.840 0.029 0.000 0.753 91 L CB -1.102 40.969 42.059 0.021 0.000 0.890 91 L HN 0.284 nan 8.230 nan 0.000 0.432 92 A N -1.153 121.701 122.820 0.057 0.000 1.884 92 A HA -0.387 3.933 4.320 0.001 0.000 0.219 92 A C 2.283 179.805 177.584 -0.103 0.000 1.197 92 A CA 2.261 54.362 52.037 0.107 0.000 0.637 92 A CB -1.237 17.944 19.000 0.301 0.000 0.827 92 A HN 0.758 nan 8.150 nan 0.000 0.450 93 H N -0.167 118.879 119.070 -0.039 0.000 2.319 93 H HA -0.013 4.544 4.556 0.001 0.000 0.299 93 H C 2.144 177.337 175.328 -0.226 0.000 1.092 93 H CA 2.337 58.317 56.048 -0.114 0.000 1.302 93 H CB -0.388 29.547 29.762 0.289 0.000 1.373 93 H HN 0.400 nan 8.280 nan 0.000 0.497 94 A N -0.344 122.403 122.820 -0.123 0.000 1.892 94 A HA -0.232 4.088 4.320 0.001 0.000 0.218 94 A C 2.539 179.939 177.584 -0.307 0.000 1.188 94 A CA 2.413 54.354 52.037 -0.159 0.000 0.631 94 A CB -1.248 17.804 19.000 0.087 0.000 0.822 94 A HN 0.616 nan 8.150 nan 0.000 0.447 95 T N -0.139 114.275 114.554 -0.233 0.000 2.746 95 T HA -0.115 4.236 4.350 0.001 0.000 0.267 95 T C 1.980 176.462 174.700 -0.363 0.000 1.039 95 T CA 1.932 63.897 62.100 -0.226 0.000 1.142 95 T CB -0.635 68.155 68.868 -0.130 0.000 0.866 95 T HN 0.597 nan 8.240 nan 0.000 0.444 96 T N 2.299 116.525 114.554 -0.546 0.000 2.833 96 T HA -0.056 4.295 4.350 0.001 0.000 0.269 96 T C 1.746 176.070 174.700 -0.626 0.000 1.054 96 T CA 0.825 62.528 62.100 -0.662 0.000 1.135 96 T CB -0.171 67.984 68.868 -1.189 0.000 0.869 96 T HN 0.363 nan 8.240 nan 0.000 0.466 97 N N -0.099 118.110 118.700 -0.818 0.000 2.353 97 N HA 0.073 4.814 4.740 0.001 0.000 0.185 97 N C 0.084 175.070 175.510 -0.874 0.000 1.098 97 N CA 0.251 52.685 53.050 -1.026 0.000 0.872 97 N CB 0.059 37.433 38.487 -1.855 0.000 0.970 97 N HN 0.314 nan 8.380 nan 0.000 0.467 98 C N 0.842 119.802 119.300 -0.566 0.000 4.614 98 C HA -0.160 4.300 4.460 0.001 0.000 0.300 98 C C 0.022 174.936 174.990 -0.125 0.000 1.301 98 C CA -0.515 58.325 59.018 -0.296 0.000 2.073 98 C CB -3.280 24.320 27.740 -0.233 0.000 1.219 98 C HN 0.276 nan 8.230 nan 0.000 0.772 99 F N 2.129 121.957 119.950 -0.203 0.000 2.415 99 F HA 0.452 4.980 4.527 0.001 0.000 0.348 99 F C -1.480 174.281 175.800 -0.066 0.000 1.119 99 F CA -2.544 55.380 58.000 -0.128 0.000 1.069 99 F CB 1.587 40.551 39.000 -0.060 0.000 1.124 99 F HN -0.001 nan 8.300 nan 0.000 0.472 100 P HA 0.108 nan 4.420 nan 0.000 0.271 100 P C -0.857 176.535 177.300 0.153 0.000 1.226 100 P CA -0.053 63.131 63.100 0.140 0.000 0.765 100 P CB 1.532 33.332 31.700 0.167 0.000 0.835 101 M N 4.128 123.808 119.600 0.134 0.000 2.413 101 M HA 0.450 4.930 4.480 0.001 0.000 0.287 101 M C -2.022 174.355 176.300 0.128 0.000 1.186 101 M CA -0.833 54.548 55.300 0.135 0.000 0.927 101 M CB 2.059 34.745 32.600 0.143 0.000 1.715 101 M HN 0.118 nan 8.290 nan 0.000 0.478 102 I N 4.577 125.222 120.570 0.126 0.000 2.389 102 I HA 0.371 4.542 4.170 0.001 0.000 0.288 102 I C -1.249 174.953 176.117 0.141 0.000 0.999 102 I CA -0.887 60.491 61.300 0.130 0.000 1.129 102 I CB 1.979 40.041 38.000 0.103 0.000 1.288 102 I HN 0.548 nan 8.210 nan 0.000 0.444 103 L N 8.296 129.636 121.223 0.195 0.000 2.265 103 L HA 0.502 4.843 4.340 0.001 0.000 0.289 103 L C -1.072 175.961 176.870 0.271 0.000 1.033 103 L CA -0.031 54.956 54.840 0.246 0.000 0.814 103 L CB 0.695 42.938 42.059 0.307 0.000 1.203 103 L HN 0.453 nan 8.230 nan 0.000 0.423 104 L N 5.107 126.443 121.223 0.189 0.000 2.265 104 L HA 0.529 4.870 4.340 0.001 0.000 0.289 104 L C -0.152 176.860 176.870 0.235 0.000 1.033 104 L CA -0.169 54.755 54.840 0.140 0.000 0.814 104 L CB 1.208 43.319 42.059 0.087 0.000 1.203 104 L HN 0.664 nan 8.230 nan 0.000 0.423 105 S N 1.384 117.257 115.700 0.287 0.000 2.521 105 S HA 0.555 5.025 4.470 0.001 0.000 0.295 105 S C 0.240 174.986 174.600 0.243 0.000 1.098 105 S CA -0.689 57.716 58.200 0.341 0.000 0.999 105 S CB 1.975 65.509 63.200 0.556 0.000 1.034 105 S HN 0.733 nan 8.310 nan 0.000 0.483 106 G N 1.836 110.786 108.800 0.249 0.000 2.491 106 G HA2 0.458 4.419 3.960 0.001 0.000 0.242 106 G HA3 0.458 4.419 3.960 0.001 0.000 0.242 106 G C 0.027 175.027 174.900 0.167 0.000 1.266 106 G CA -0.158 45.094 45.100 0.254 0.000 0.844 106 G HN 0.811 nan 8.290 nan 0.000 0.571 107 S N 0.247 116.017 115.700 0.116 0.000 2.697 107 S HA 0.788 5.259 4.470 0.001 0.000 0.289 107 S C 0.235 174.878 174.600 0.071 0.000 1.149 107 S CA -0.563 57.674 58.200 0.061 0.000 0.850 107 S CB 1.773 64.975 63.200 0.003 0.000 1.151 107 S HN 0.597 nan 8.310 nan 0.000 0.491 108 S N 0.266 115.999 115.700 0.055 0.000 2.397 108 S HA 0.451 4.922 4.470 0.001 0.000 0.261 108 S C -0.182 174.442 174.600 0.040 0.000 1.187 108 S CA -0.505 57.741 58.200 0.077 0.000 1.023 108 S CB -0.261 62.992 63.200 0.088 0.000 1.103 108 S HN 0.856 nan 8.310 nan 0.000 0.474 109 E N 0.269 120.494 120.200 0.041 0.000 2.200 109 E HA 0.302 4.653 4.350 0.001 0.000 0.283 109 E C 0.698 177.302 176.600 0.008 0.000 1.015 109 E CA -0.321 56.092 56.400 0.021 0.000 0.819 109 E CB 0.869 30.586 29.700 0.029 0.000 1.081 109 E HN 0.418 nan 8.360 nan 0.000 0.397 110 R N 3.547 124.044 120.500 -0.005 0.000 2.083 110 R HA -0.179 4.161 4.340 0.001 0.000 0.237 110 R C 1.147 177.445 176.300 -0.004 0.000 1.137 110 R CA 2.284 58.378 56.100 -0.010 0.000 0.951 110 R CB -0.044 30.245 30.300 -0.018 0.000 0.851 110 R HN 0.724 nan 8.270 nan 0.000 0.434 111 E N -0.293 119.906 120.200 -0.002 0.000 2.130 111 E HA -0.207 4.144 4.350 0.001 0.000 0.196 111 E C 1.945 178.548 176.600 0.004 0.000 0.998 111 E CA 1.729 58.130 56.400 0.001 0.000 0.806 111 E CB -0.153 29.548 29.700 0.002 0.000 0.738 111 E HN 0.474 nan 8.360 nan 0.000 0.459 112 I N 0.079 120.655 120.570 0.009 0.000 2.494 112 I HA -0.147 4.024 4.170 0.001 0.000 0.250 112 I C 2.276 178.399 176.117 0.010 0.000 1.112 112 I CA 0.342 61.650 61.300 0.013 0.000 1.438 112 I CB -0.045 37.969 38.000 0.023 0.000 1.111 112 I HN -0.055 nan 8.210 nan 0.000 0.431 113 V N 1.095 121.013 119.914 0.007 0.000 2.407 113 V HA -0.274 3.847 4.120 0.001 0.000 0.248 113 V C 1.874 177.967 176.094 -0.002 0.000 1.055 113 V CA 1.945 64.245 62.300 0.001 0.000 1.049 113 V CB -0.674 31.146 31.823 -0.005 0.000 0.662 113 V HN 0.372 nan 8.190 nan 0.000 0.455 114 D N -0.239 120.159 120.400 -0.002 0.000 2.269 114 D HA -0.025 4.616 4.640 0.001 0.000 0.208 114 D C 1.747 178.047 176.300 -0.001 0.000 0.963 114 D CA 0.921 54.919 54.000 -0.003 0.000 0.864 114 D CB 0.008 40.806 40.800 -0.003 0.000 0.936 114 D HN 0.355 nan 8.370 nan 0.000 0.505 115 L N -0.166 121.058 121.223 0.001 0.000 2.607 115 L HA 0.129 4.470 4.340 0.001 0.000 0.228 115 L C -0.016 176.856 176.870 0.003 0.000 1.123 115 L CA 0.064 54.906 54.840 0.002 0.000 0.890 115 L CB -0.017 42.044 42.059 0.004 0.000 1.103 115 L HN -0.106 nan 8.230 nan 0.000 0.468 116 Q N 0.210 120.012 119.800 0.003 0.000 2.451 116 Q HA -0.289 4.052 4.340 0.001 0.000 0.305 116 Q C 0.742 176.745 176.000 0.006 0.000 1.345 116 Q CA 0.394 56.199 55.803 0.003 0.000 0.854 116 Q CB -1.339 27.400 28.738 0.002 0.000 1.162 116 Q HN 0.590 nan 8.270 nan 0.000 0.440 117 Q N -0.583 119.223 119.800 0.009 0.000 2.424 117 Q HA 0.133 4.474 4.340 0.001 0.000 0.204 117 Q C 1.088 177.098 176.000 0.016 0.000 0.933 117 Q CA 0.630 56.440 55.803 0.012 0.000 0.929 117 Q CB 0.720 29.466 28.738 0.014 0.000 1.037 117 Q HN 0.662 nan 8.270 nan 0.000 0.511 118 G N 2.249 111.059 108.800 0.017 0.000 2.427 118 G HA2 -0.158 3.802 3.960 0.001 0.000 0.193 118 G HA3 -0.158 3.802 3.960 0.001 0.000 0.193 118 G C -0.685 174.236 174.900 0.036 0.000 1.086 118 G CA -0.236 44.877 45.100 0.021 0.000 0.818 118 G HN 0.204 nan 8.290 nan 0.000 0.490 119 D N -0.748 119.674 120.400 0.037 0.000 2.361 119 D HA 0.313 4.954 4.640 0.001 0.000 0.239 119 D C 0.799 177.155 176.300 0.093 0.000 1.200 119 D CA -0.275 53.766 54.000 0.068 0.000 0.915 119 D CB 0.292 41.126 40.800 0.057 0.000 1.170 119 D HN 0.273 nan 8.370 nan 0.000 0.444 120 Y N 1.891 122.201 120.300 0.017 0.000 2.721 120 Y HA -0.026 4.525 4.550 0.002 0.000 0.329 120 Y C 0.510 176.424 175.900 0.024 0.000 1.211 120 Y CA 0.381 58.494 58.100 0.021 0.000 1.512 120 Y CB -0.281 38.194 38.460 0.024 0.000 1.249 120 Y HN 0.509 nan 8.280 nan 0.000 0.549 121 E N 3.274 123.158 120.200 -0.526 0.000 2.246 121 E HA -0.361 3.989 4.350 0.001 0.000 0.173 121 E C -0.486 176.021 176.600 -0.155 0.000 1.532 121 E CA 0.840 56.998 56.400 -0.403 0.000 0.672 121 E CB -0.782 28.570 29.700 -0.579 0.000 1.078 121 E HN 0.722 nan 8.360 nan 0.000 0.338 122 E N 1.533 121.679 120.200 -0.089 0.000 2.259 122 E HA 0.442 4.793 4.350 0.001 0.000 0.281 122 E C -0.215 176.364 176.600 -0.036 0.000 1.037 122 E CA -0.056 56.320 56.400 -0.040 0.000 0.854 122 E CB 0.757 30.446 29.700 -0.018 0.000 1.051 122 E HN 0.342 nan 8.360 nan 0.000 0.409 123 M N 4.018 123.595 119.600 -0.038 0.000 2.484 123 M HA 0.092 4.573 4.480 0.001 0.000 0.292 123 M C -2.014 174.246 176.300 -0.067 0.000 1.123 123 M CA -0.702 54.574 55.300 -0.040 0.000 0.910 123 M CB 1.875 34.457 32.600 -0.029 0.000 1.782 123 M HN 0.376 nan 8.290 nan 0.000 0.512 124 D N 3.467 123.836 120.400 -0.052 0.000 2.470 124 D HA 0.165 4.805 4.640 0.001 0.000 0.226 124 D C 0.542 176.773 176.300 -0.116 0.000 1.196 124 D CA 0.425 54.388 54.000 -0.061 0.000 0.979 124 D CB 0.731 41.515 40.800 -0.027 0.000 1.059 124 D HN 0.667 nan 8.370 nan 0.000 0.515 125 Q N 2.254 121.897 119.800 -0.261 0.000 2.172 125 Q HA -0.112 4.229 4.340 0.001 0.000 0.200 125 Q C 1.974 177.734 176.000 -0.400 0.000 0.964 125 Q CA 0.787 56.164 55.803 -0.710 0.000 0.855 125 Q CB 0.236 28.234 28.738 -1.235 0.000 0.918 125 Q HN 0.547 nan 8.270 nan 0.000 0.444 126 M N 0.909 120.506 119.600 -0.005 0.000 2.080 126 M HA -0.228 4.252 4.480 0.001 0.000 0.260 126 M C 1.785 178.131 176.300 0.077 0.000 1.068 126 M CA 1.811 57.216 55.300 0.176 0.000 1.109 126 M CB -0.054 32.610 32.600 0.107 0.000 1.342 126 M HN 0.157 nan 8.290 nan 0.000 0.405 127 N N -0.411 118.301 118.700 0.020 0.000 2.171 127 N HA -0.111 4.629 4.740 0.001 0.000 0.184 127 N C 1.327 176.855 175.510 0.029 0.000 1.021 127 N CA 1.450 54.509 53.050 0.015 0.000 0.854 127 N CB -0.210 38.279 38.487 0.004 0.000 0.994 127 N HN 0.217 nan 8.380 nan 0.000 0.426 128 V N 0.572 120.516 119.914 0.050 0.000 2.490 128 V HA -0.118 4.003 4.120 0.001 0.000 0.250 128 V C 2.193 178.408 176.094 0.202 0.000 1.061 128 V CA 1.701 64.080 62.300 0.131 0.000 1.064 128 V CB -1.000 30.951 31.823 0.214 0.000 0.670 128 V HN 0.504 nan 8.190 nan 0.000 0.461 129 A N -0.480 122.464 122.820 0.207 0.000 2.119 129 A HA -0.103 4.217 4.320 0.001 0.000 0.217 129 A C 2.311 179.944 177.584 0.083 0.000 1.153 129 A CA 0.811 52.978 52.037 0.217 0.000 0.692 129 A CB -0.401 18.666 19.000 0.113 0.000 0.799 129 A HN 0.492 nan 8.150 nan 0.000 0.458 130 R N -0.125 120.376 120.500 0.001 0.000 2.091 130 R HA -0.118 4.222 4.340 0.001 0.000 0.238 130 R C -0.791 175.428 176.300 -0.135 0.000 1.136 130 R CA 1.728 57.795 56.100 -0.055 0.000 0.959 130 R CB -1.368 28.900 30.300 -0.052 0.000 0.856 130 R HN 0.426 nan 8.270 nan 0.000 0.437 131 P HA -0.074 nan 4.420 nan 0.000 0.230 131 P C 0.195 177.281 177.300 -0.357 0.000 1.158 131 P CA 1.184 64.062 63.100 -0.369 0.000 0.769 131 P CB 0.124 31.515 31.700 -0.516 0.000 0.807 132 H N -2.022 117.059 119.070 0.018 0.000 2.594 132 H HA 0.261 4.818 4.556 0.001 0.000 0.279 132 H C 0.772 176.097 175.328 -0.005 0.000 1.042 132 H CA -0.158 55.899 56.048 0.016 0.000 1.177 132 H CB -0.139 29.629 29.762 0.011 0.000 1.524 132 H HN 0.254 nan 8.280 nan 0.000 0.537 133 C N -1.269 118.067 119.300 0.059 0.000 3.236 133 C HA 0.448 4.909 4.460 0.001 0.000 0.312 133 C C 1.573 176.554 174.990 -0.015 0.000 1.374 133 C CA -1.032 58.008 59.018 0.037 0.000 1.455 133 C CB 2.747 30.535 27.740 0.079 0.000 1.834 133 C HN 0.073 nan 8.230 nan 0.000 0.460 134 K N 0.704 121.094 120.400 -0.018 0.000 2.062 134 K HA 0.304 4.624 4.320 0.001 0.000 0.205 134 K C 0.765 177.317 176.600 -0.081 0.000 1.051 134 K CA 1.849 58.116 56.287 -0.035 0.000 0.941 134 K CB -0.030 32.466 32.500 -0.006 0.000 0.719 134 K HN 0.887 nan 8.250 nan 0.000 0.440 135 A N 0.425 123.160 122.820 -0.141 0.000 2.515 135 A HA 0.454 4.774 4.320 0.001 0.000 0.298 135 A C -1.270 176.037 177.584 -0.461 0.000 1.059 135 A CA -0.584 51.219 52.037 -0.389 0.000 0.698 135 A CB 2.068 20.717 19.000 -0.585 0.000 1.289 135 A HN -0.040 nan 8.150 nan 0.000 0.404 136 S N 1.363 116.745 115.700 -0.531 0.000 2.733 136 S HA 0.750 5.221 4.470 0.001 0.000 0.307 136 S C -1.098 173.294 174.600 -0.346 0.000 1.127 136 S CA -0.372 57.681 58.200 -0.244 0.000 1.097 136 S CB -0.330 62.881 63.200 0.019 0.000 1.003 136 S HN 0.441 nan 8.310 nan 0.000 0.477 137 F N 2.655 122.605 119.950 -0.001 0.000 2.557 137 F HA 0.679 5.207 4.527 0.001 0.000 0.336 137 F C 0.670 176.390 175.800 -0.133 0.000 1.058 137 F CA -1.237 56.730 58.000 -0.055 0.000 0.988 137 F CB 1.389 40.351 39.000 -0.063 0.000 1.275 137 F HN 0.350 nan 8.300 nan 0.000 0.488 138 R N 1.408 121.981 120.500 0.122 0.000 2.533 138 R HA 0.535 4.876 4.340 0.001 0.000 0.288 138 R C -1.904 174.374 176.300 -0.036 0.000 1.039 138 R CA -0.551 55.537 56.100 -0.020 0.000 0.909 138 R CB 1.396 31.681 30.300 -0.026 0.000 1.195 138 R HN 0.707 nan 8.270 nan 0.000 0.438 139 I N 4.794 125.308 120.570 -0.093 0.000 2.291 139 I HA 0.149 4.320 4.170 0.001 0.000 0.292 139 I C 0.452 176.489 176.117 -0.134 0.000 1.064 139 I CA -0.302 60.932 61.300 -0.110 0.000 1.269 139 I CB 1.380 39.303 38.000 -0.128 0.000 1.418 139 I HN 0.688 nan 8.210 nan 0.000 0.485 140 N N 2.376 121.014 118.700 -0.103 0.000 2.395 140 N HA -0.028 4.713 4.740 0.001 0.000 0.175 140 N C 0.418 175.858 175.510 -0.115 0.000 1.029 140 N CA 0.337 53.323 53.050 -0.106 0.000 0.897 140 N CB 0.329 38.774 38.487 -0.069 0.000 0.991 140 N HN 0.515 nan 8.380 nan 0.000 0.441 141 S N -0.823 114.817 115.700 -0.100 0.000 2.542 141 S HA 0.355 4.826 4.470 0.001 0.000 0.293 141 S C 0.802 175.351 174.600 -0.086 0.000 1.089 141 S CA -0.822 57.326 58.200 -0.086 0.000 0.961 141 S CB 0.967 64.133 63.200 -0.057 0.000 1.062 141 S HN 0.195 nan 8.310 nan 0.000 0.483 142 I N 3.913 124.437 120.570 -0.076 0.000 2.208 142 I HA -0.194 3.976 4.170 0.001 0.000 0.245 142 I C 2.244 178.345 176.117 -0.028 0.000 1.097 142 I CA 2.035 63.300 61.300 -0.058 0.000 1.363 142 I CB -0.159 37.818 38.000 -0.038 0.000 1.051 142 I HN 0.886 nan 8.210 nan 0.000 0.413 143 K N -0.445 119.943 120.400 -0.020 0.000 2.362 143 K HA -0.138 4.182 4.320 0.001 0.000 0.200 143 K C 0.995 177.596 176.600 0.001 0.000 1.046 143 K CA 1.569 57.854 56.287 -0.002 0.000 0.952 143 K CB -0.240 32.258 32.500 -0.004 0.000 0.753 143 K HN 0.333 nan 8.250 nan 0.000 0.466 144 D N 0.705 121.093 120.400 -0.019 0.000 2.349 144 D HA 0.130 4.771 4.640 0.001 0.000 0.214 144 D C 1.624 177.907 176.300 -0.028 0.000 1.063 144 D CA 0.111 54.099 54.000 -0.021 0.000 0.847 144 D CB 0.155 40.930 40.800 -0.043 0.000 0.933 144 D HN 0.240 nan 8.370 nan 0.000 0.513 145 I N 1.756 122.309 120.570 -0.028 0.000 2.118 145 I HA -0.224 3.946 4.170 0.001 0.000 0.241 145 I C -0.579 175.524 176.117 -0.023 0.000 1.070 145 I CA 1.468 62.748 61.300 -0.034 0.000 1.327 145 I CB -1.267 36.721 38.000 -0.020 0.000 1.034 145 I HN -0.002 nan 8.210 nan 0.000 0.405 146 P HA -0.148 nan 4.420 nan 0.000 0.216 146 P C 1.878 179.187 177.300 0.015 0.000 1.153 146 P CA 1.316 64.408 63.100 -0.014 0.000 0.848 146 P CB 0.019 31.771 31.700 0.086 0.000 0.787 147 I N -0.335 120.329 120.570 0.158 0.000 2.179 147 I HA -0.127 4.043 4.170 0.001 0.000 0.242 147 I C 2.402 178.500 176.117 -0.031 0.000 1.088 147 I CA 2.062 63.462 61.300 0.166 0.000 1.357 147 I CB -1.891 36.166 38.000 0.096 0.000 1.051 147 I HN 0.020 nan 8.210 nan 0.000 0.409 148 G N 1.360 110.101 108.800 -0.098 0.000 2.469 148 G HA2 -0.234 3.727 3.960 0.001 0.000 0.219 148 G HA3 -0.234 3.727 3.960 0.001 0.000 0.219 148 G C 1.582 176.373 174.900 -0.181 0.000 1.150 148 G CA 0.442 45.422 45.100 -0.200 0.000 0.763 148 G HN 0.227 nan 8.290 nan 0.000 0.561 149 I N 1.632 122.133 120.570 -0.115 0.000 2.353 149 I HA -0.005 4.165 4.170 0.001 0.000 0.248 149 I C 3.214 179.271 176.117 -0.100 0.000 1.119 149 I CA 0.913 62.159 61.300 -0.090 0.000 1.417 149 I CB -1.257 36.698 38.000 -0.075 0.000 1.078 149 I HN 0.254 nan 8.210 nan 0.000 0.421 150 A N 1.215 123.953 122.820 -0.137 0.000 1.883 150 A HA -0.210 4.111 4.320 0.001 0.000 0.217 150 A C 2.469 180.029 177.584 -0.039 0.000 1.186 150 A CA 1.373 53.349 52.037 -0.102 0.000 0.624 150 A CB -0.550 18.428 19.000 -0.037 0.000 0.822 150 A HN 0.299 nan 8.150 nan 0.000 0.444 151 R N -0.660 119.781 120.500 -0.099 0.000 2.081 151 R HA -0.102 4.238 4.340 0.001 0.000 0.235 151 R C 2.499 178.784 176.300 -0.025 0.000 1.131 151 R CA 1.233 57.243 56.100 -0.150 0.000 0.960 151 R CB -0.579 29.413 30.300 -0.513 0.000 0.856 151 R HN 0.537 nan 8.270 nan 0.000 0.436 152 A N 0.781 123.589 122.820 -0.021 0.000 1.877 152 A HA -0.117 4.203 4.320 0.001 0.000 0.216 152 A C 2.382 180.037 177.584 0.117 0.000 1.186 152 A CA 1.511 53.632 52.037 0.141 0.000 0.620 152 A CB -0.501 18.558 19.000 0.099 0.000 0.822 152 A HN 0.120 nan 8.150 nan 0.000 0.443 153 V N -0.217 119.733 119.914 0.060 0.000 2.453 153 V HA -0.193 3.928 4.120 0.001 0.000 0.247 153 V C 2.605 178.744 176.094 0.074 0.000 1.048 153 V CA 1.945 64.282 62.300 0.062 0.000 1.049 153 V CB -0.798 31.042 31.823 0.029 0.000 0.672 153 V HN 0.485 nan 8.190 nan 0.000 0.457 154 R N -0.087 120.455 120.500 0.071 0.000 2.066 154 R HA -0.109 4.232 4.340 0.001 0.000 0.232 154 R C 2.452 178.811 176.300 0.099 0.000 1.131 154 R CA 1.893 58.040 56.100 0.080 0.000 0.955 154 R CB -0.730 29.614 30.300 0.074 0.000 0.851 154 R HN 0.492 nan 8.270 nan 0.000 0.432 155 T N 1.115 115.748 114.554 0.132 0.000 2.746 155 T HA -0.148 4.202 4.350 0.001 0.000 0.267 155 T C 1.962 176.728 174.700 0.110 0.000 1.039 155 T CA 1.446 63.633 62.100 0.145 0.000 1.142 155 T CB -0.262 68.748 68.868 0.236 0.000 0.866 155 T HN 0.361 nan 8.240 nan 0.000 0.444 156 A N 1.362 124.252 122.820 0.117 0.000 1.877 156 A HA -0.057 4.263 4.320 0.001 0.000 0.216 156 A C 2.610 180.250 177.584 0.094 0.000 1.186 156 A CA 2.019 54.117 52.037 0.101 0.000 0.620 156 A CB -0.835 18.232 19.000 0.112 0.000 0.822 156 A HN 0.526 nan 8.150 nan 0.000 0.443 157 V N -2.071 117.905 119.914 0.103 0.000 3.471 157 V HA 0.160 4.280 4.120 0.001 0.000 0.258 157 V C 1.126 177.285 176.094 0.108 0.000 1.192 157 V CA 0.753 63.127 62.300 0.123 0.000 1.116 157 V CB -0.993 30.904 31.823 0.125 0.000 0.792 157 V HN 0.597 nan 8.190 nan 0.000 0.459 158 S N 0.151 115.902 115.700 0.085 0.000 2.669 158 S HA 0.707 5.178 4.470 0.001 0.000 0.270 158 S C 0.994 175.629 174.600 0.058 0.000 1.225 158 S CA 0.315 58.558 58.200 0.072 0.000 0.991 158 S CB 0.808 64.048 63.200 0.066 0.000 0.987 158 S HN 1.848 nan 8.310 nan 0.000 0.552 159 G N 1.472 110.301 108.800 0.049 0.000 2.594 159 G HA2 -0.346 3.614 3.960 0.001 0.000 0.297 159 G HA3 -0.346 3.614 3.960 0.001 0.000 0.297 159 G C -0.055 174.861 174.900 0.027 0.000 1.273 159 G CA 0.441 45.561 45.100 0.034 0.000 0.974 159 G HN 1.122 nan 8.290 nan 0.000 0.552 160 R N 1.736 122.239 120.500 0.005 0.000 2.404 160 R HA 0.365 4.705 4.340 0.001 0.000 0.315 160 R C -2.087 174.196 176.300 -0.029 0.000 1.032 160 R CA -0.861 55.227 56.100 -0.021 0.000 0.992 160 R CB 0.240 30.517 30.300 -0.039 0.000 0.959 160 R HN 0.284 nan 8.270 nan 0.000 0.428 161 P HA 0.234 nan 4.420 nan 0.000 0.270 161 P C -0.478 176.785 177.300 -0.062 0.000 1.223 161 P CA -0.142 62.929 63.100 -0.048 0.000 0.785 161 P CB 1.214 32.832 31.700 -0.137 0.000 0.923 162 G N -0.523 108.269 108.800 -0.013 0.000 2.340 162 G HA2 0.508 4.468 3.960 0.001 0.000 0.299 162 G HA3 0.508 4.468 3.960 0.001 0.000 0.299 162 G C -0.999 173.920 174.900 0.031 0.000 1.291 162 G CA -0.257 44.831 45.100 -0.021 0.000 0.841 162 G HN 0.590 nan 8.290 nan 0.000 0.500 163 G N -1.284 107.531 108.800 0.024 0.000 2.415 163 G HA2 0.596 4.557 3.960 0.001 0.000 0.269 163 G HA3 0.596 4.557 3.960 0.001 0.000 0.269 163 G C -0.639 174.311 174.900 0.083 0.000 1.209 163 G CA -0.120 45.021 45.100 0.068 0.000 0.835 163 G HN 1.110 nan 8.290 nan 0.000 0.534 164 V N 1.959 121.946 119.914 0.123 0.000 2.656 164 V HA 0.344 4.465 4.120 0.001 0.000 0.307 164 V C -1.144 175.080 176.094 0.217 0.000 1.051 164 V CA -0.961 61.423 62.300 0.140 0.000 0.893 164 V CB 1.746 33.675 31.823 0.177 0.000 0.999 164 V HN 0.715 nan 8.190 nan 0.000 0.426 165 Y N 4.246 124.593 120.300 0.079 0.000 2.330 165 Y HA 0.718 5.268 4.550 0.001 0.000 0.336 165 Y C -0.543 175.443 175.900 0.142 0.000 1.036 165 Y CA -0.987 57.189 58.100 0.127 0.000 1.125 165 Y CB 1.722 40.278 38.460 0.160 0.000 1.194 165 Y HN 0.381 nan 8.280 nan 0.000 0.469 166 V N 6.453 126.079 119.914 -0.479 0.000 2.378 166 V HA 0.202 4.322 4.120 0.001 0.000 0.288 166 V C -0.826 174.777 176.094 -0.819 0.000 1.016 166 V CA -0.986 61.038 62.300 -0.460 0.000 0.840 166 V CB 1.447 33.199 31.823 -0.119 0.000 0.994 166 V HN 0.777 nan 8.190 nan 0.000 0.431 167 D N 4.288 124.238 120.400 -0.750 0.000 2.249 167 D HA 0.469 5.110 4.640 0.001 0.000 0.246 167 D C -0.416 175.754 176.300 -0.217 0.000 1.114 167 D CA -0.162 53.561 54.000 -0.462 0.000 0.854 167 D CB 0.953 41.609 40.800 -0.240 0.000 1.132 167 D HN 0.478 nan 8.370 nan 0.000 0.461 168 L N 6.475 127.623 121.223 -0.126 0.000 2.435 168 L HA 0.369 4.710 4.340 0.001 0.000 0.253 168 L C -2.088 174.671 176.870 -0.186 0.000 1.087 168 L CA -1.997 52.737 54.840 -0.176 0.000 0.950 168 L CB 0.977 43.024 42.059 -0.021 0.000 1.304 168 L HN 0.283 nan 8.230 nan 0.000 0.453 169 P HA -0.081 nan 4.420 nan 0.000 0.263 169 P C 0.824 178.010 177.300 -0.191 0.000 1.175 169 P CA 0.240 63.255 63.100 -0.141 0.000 0.761 169 P CB 1.158 32.777 31.700 -0.136 0.000 0.794 170 A N 5.178 127.992 122.820 -0.010 0.000 1.927 170 A HA -0.255 4.066 4.320 0.001 0.000 0.220 170 A C 1.901 179.481 177.584 -0.006 0.000 1.185 170 A CA 1.715 53.814 52.037 0.103 0.000 0.639 170 A CB -0.962 18.114 19.000 0.127 0.000 0.820 170 A HN 0.465 nan 8.150 nan 0.000 0.451 171 K N -0.811 119.542 120.400 -0.078 0.000 2.442 171 K HA -0.030 4.291 4.320 0.001 0.000 0.198 171 K C 1.696 178.180 176.600 -0.193 0.000 1.042 171 K CA 0.757 56.988 56.287 -0.094 0.000 0.958 171 K CB -0.419 32.042 32.500 -0.066 0.000 0.766 171 K HN 0.497 nan 8.250 nan 0.000 0.474 172 L N 0.262 121.262 121.223 -0.371 0.000 2.083 172 L HA -0.095 4.246 4.340 0.001 0.000 0.209 172 L C 1.784 178.351 176.870 -0.505 0.000 1.083 172 L CA 1.605 56.154 54.840 -0.485 0.000 0.752 172 L CB -0.471 41.163 42.059 -0.708 0.000 0.899 172 L HN 0.006 nan 8.230 nan 0.000 0.433 173 F N -0.674 119.049 119.950 -0.379 0.000 2.325 173 F HA 0.055 4.582 4.527 0.001 0.000 0.299 173 F C 2.253 177.686 175.800 -0.612 0.000 1.090 173 F CA 0.749 58.277 58.000 -0.786 0.000 1.392 173 F CB -0.632 37.518 39.000 -1.418 0.000 1.053 173 F HN 0.203 nan 8.300 nan 0.000 0.521 174 G N -0.572 108.143 108.800 -0.142 0.000 3.088 174 G HA2 0.086 4.047 3.960 0.001 0.000 0.217 174 G HA3 0.086 4.047 3.960 0.001 0.000 0.217 174 G C 0.332 175.227 174.900 -0.009 0.000 1.159 174 G CA -0.294 44.800 45.100 -0.009 0.000 0.760 174 G HN 0.214 nan 8.290 nan 0.000 0.550 175 Q N 0.813 120.581 119.800 -0.054 0.000 2.394 175 Q HA 0.435 4.775 4.340 0.001 0.000 0.248 175 Q C -0.049 175.952 176.000 0.001 0.000 0.992 175 Q CA 0.139 55.922 55.803 -0.033 0.000 0.888 175 Q CB 0.927 29.628 28.738 -0.062 0.000 1.257 175 Q HN 0.269 nan 8.270 nan 0.000 0.462 176 T N -1.131 113.432 114.554 0.015 0.000 2.907 176 T HA 0.825 5.176 4.350 0.001 0.000 0.292 176 T C -0.544 174.174 174.700 0.029 0.000 1.043 176 T CA -0.765 61.358 62.100 0.037 0.000 1.003 176 T CB 1.306 70.201 68.868 0.045 0.000 1.084 176 T HN 0.572 nan 8.240 nan 0.000 0.483 177 I N 1.139 121.734 120.570 0.040 0.000 3.004 177 I HA 0.459 4.630 4.170 0.001 0.000 0.305 177 I C -0.212 175.928 176.117 0.039 0.000 1.312 177 I CA -0.814 60.505 61.300 0.033 0.000 0.992 177 I CB 2.479 40.497 38.000 0.030 0.000 1.282 177 I HN 1.047 nan 8.210 nan 0.000 0.449 178 S N 3.504 119.222 115.700 0.030 0.000 2.572 178 S HA 0.153 4.623 4.470 0.001 0.000 0.279 178 S C 0.957 175.576 174.600 0.033 0.000 1.341 178 S CA -0.697 57.520 58.200 0.029 0.000 1.043 178 S CB 1.507 64.720 63.200 0.022 0.000 0.887 178 S HN 0.436 nan 8.310 nan 0.000 0.516 179 V N 1.896 121.828 119.914 0.030 0.000 2.407 179 V HA -0.158 3.963 4.120 0.001 0.000 0.248 179 V C 2.719 178.829 176.094 0.027 0.000 1.055 179 V CA 2.262 64.580 62.300 0.029 0.000 1.049 179 V CB -1.166 30.669 31.823 0.019 0.000 0.662 179 V HN 1.061 nan 8.190 nan 0.000 0.455 180 E N 0.152 120.365 120.200 0.022 0.000 2.072 180 E HA -0.281 4.069 4.350 0.001 0.000 0.191 180 E C 2.188 178.802 176.600 0.023 0.000 0.985 180 E CA 1.413 57.825 56.400 0.020 0.000 0.801 180 E CB 0.007 29.716 29.700 0.015 0.000 0.750 180 E HN 0.616 nan 8.360 nan 0.000 0.452 181 E N 0.583 120.797 120.200 0.023 0.000 2.077 181 E HA -0.141 4.210 4.350 0.001 0.000 0.193 181 E C 1.743 178.363 176.600 0.033 0.000 0.989 181 E CA 1.589 58.003 56.400 0.024 0.000 0.800 181 E CB -0.349 29.363 29.700 0.021 0.000 0.746 181 E HN 0.325 nan 8.360 nan 0.000 0.452 182 A N 0.612 123.455 122.820 0.039 0.000 1.933 182 A HA -0.166 4.155 4.320 0.001 0.000 0.218 182 A C 1.942 179.559 177.584 0.055 0.000 1.175 182 A CA 1.636 53.703 52.037 0.050 0.000 0.628 182 A CB -0.632 18.402 19.000 0.056 0.000 0.814 182 A HN 0.266 nan 8.150 nan 0.000 0.444 183 N N -0.073 118.654 118.700 0.046 0.000 2.396 183 N HA -0.068 4.672 4.740 0.001 0.000 0.180 183 N C 1.478 177.020 175.510 0.053 0.000 1.028 183 N CA 1.069 54.147 53.050 0.047 0.000 0.893 183 N CB -0.207 38.300 38.487 0.035 0.000 0.967 183 N HN 0.569 nan 8.380 nan 0.000 0.440 184 K N 0.375 120.803 120.400 0.046 0.000 2.167 184 K HA 0.098 4.419 4.320 0.001 0.000 0.203 184 K C 1.921 178.558 176.600 0.062 0.000 1.052 184 K CA 0.490 56.803 56.287 0.043 0.000 0.956 184 K CB 0.078 32.593 32.500 0.025 0.000 0.735 184 K HN 0.112 nan 8.250 nan 0.000 0.451 185 L N 1.018 122.286 121.223 0.075 0.000 2.095 185 L HA -0.035 4.305 4.340 0.001 0.000 0.204 185 L C 0.844 177.846 176.870 0.220 0.000 1.080 185 L CA 0.268 55.175 54.840 0.113 0.000 0.759 185 L CB -0.283 41.829 42.059 0.088 0.000 0.914 185 L HN 0.092 nan 8.230 nan 0.000 0.439 186 L N 1.250 122.570 121.223 0.161 0.000 2.540 186 L HA 0.001 4.342 4.340 0.001 0.000 0.276 186 L C -0.487 176.525 176.870 0.237 0.000 1.212 186 L CA 0.419 55.346 54.840 0.146 0.000 0.893 186 L CB -0.167 41.937 42.059 0.075 0.000 1.138 186 L HN 0.047 nan 8.230 nan 0.000 0.491 187 F N 1.124 121.082 119.950 0.015 0.000 2.654 187 F HA 0.526 5.053 4.527 0.001 0.000 0.308 187 F C -0.914 174.895 175.800 0.016 0.000 1.108 187 F CA -1.350 56.658 58.000 0.012 0.000 0.957 187 F CB 1.400 40.403 39.000 0.005 0.000 1.309 187 F HN 0.189 nan 8.300 nan 0.000 0.446 188 K N 3.497 123.901 120.400 0.006 0.000 2.263 188 K HA 0.506 4.826 4.320 0.001 0.000 0.272 188 K C -2.647 174.000 176.600 0.078 0.000 1.033 188 K CA -1.778 54.466 56.287 -0.071 0.000 0.884 188 K CB 1.028 33.528 32.500 -0.000 0.000 1.107 188 K HN 0.437 nan 8.250 nan 0.000 0.460 189 P HA -0.075 nan 4.420 nan 0.000 0.263 189 P C -0.538 176.827 177.300 0.108 0.000 1.175 189 P CA 0.033 63.224 63.100 0.152 0.000 0.761 189 P CB 0.318 32.061 31.700 0.071 0.000 0.794 190 I N 3.057 123.698 120.570 0.117 0.000 2.352 190 I HA 0.045 4.216 4.170 0.001 0.000 0.290 190 I C 0.739 176.891 176.117 0.059 0.000 1.036 190 I CA 0.180 61.524 61.300 0.074 0.000 1.336 190 I CB -0.119 37.920 38.000 0.064 0.000 1.407 190 I HN 0.551 nan 8.210 nan 0.000 0.497 191 D N 7.597 128.024 120.400 0.045 0.000 2.812 191 D HA -0.129 4.512 4.640 0.001 0.000 0.237 191 D C -1.510 174.816 176.300 0.044 0.000 1.162 191 D CA 0.164 54.186 54.000 0.038 0.000 0.740 191 D CB 0.027 40.846 40.800 0.033 0.000 1.000 191 D HN 0.404 nan 8.370 nan 0.000 0.416 192 P HA 0.027 nan 4.420 nan 0.000 0.220 192 P C 0.251 177.585 177.300 0.056 0.000 1.152 192 P CA 0.961 64.092 63.100 0.053 0.000 0.812 192 P CB 0.377 32.106 31.700 0.049 0.000 0.792 193 A N 1.782 124.633 122.820 0.052 0.000 2.786 193 A HA 0.510 4.831 4.320 0.001 0.000 0.346 193 A C -2.225 175.386 177.584 0.045 0.000 1.265 193 A CA -1.413 50.659 52.037 0.059 0.000 0.858 193 A CB -0.165 18.878 19.000 0.072 0.000 1.118 193 A HN 0.085 nan 8.150 nan 0.000 0.482 194 P HA 0.392 nan 4.420 nan 0.000 0.274 194 P C 0.104 177.422 177.300 0.031 0.000 1.231 194 P CA -0.087 63.032 63.100 0.033 0.000 0.790 194 P CB 1.076 32.795 31.700 0.032 0.000 0.951 195 A N 2.699 125.533 122.820 0.023 0.000 2.462 195 A HA 0.224 4.545 4.320 0.001 0.000 0.243 195 A C 0.168 177.764 177.584 0.021 0.000 1.076 195 A CA -0.037 52.012 52.037 0.020 0.000 0.773 195 A CB -0.147 18.860 19.000 0.013 0.000 1.010 195 A HN 0.489 nan 8.150 nan 0.000 0.493 196 Q N 1.758 121.571 119.800 0.021 0.000 2.320 196 Q HA 0.430 4.771 4.340 0.001 0.000 0.268 196 Q C -1.144 174.865 176.000 0.016 0.000 1.023 196 Q CA 0.022 55.836 55.803 0.020 0.000 0.744 196 Q CB 1.721 30.472 28.738 0.023 0.000 1.246 196 Q HN 0.713 nan 8.270 nan 0.000 0.462 197 I N 4.612 125.190 120.570 0.013 0.000 2.359 197 I HA 0.344 4.514 4.170 0.001 0.000 0.294 197 I C -1.796 174.327 176.117 0.010 0.000 0.987 197 I CA -1.896 59.411 61.300 0.011 0.000 1.225 197 I CB 1.333 39.339 38.000 0.009 0.000 1.366 197 I HN 0.256 nan 8.210 nan 0.000 0.466 198 P HA 0.283 nan 4.420 nan 0.000 0.276 198 P C -0.497 176.808 177.300 0.008 0.000 1.244 198 P CA -0.450 62.656 63.100 0.009 0.000 0.801 198 P CB 0.840 32.545 31.700 0.010 0.000 1.006 199 A N 1.930 124.754 122.820 0.007 0.000 2.448 199 A HA 0.041 4.361 4.320 0.001 0.000 0.239 199 A C 1.474 179.062 177.584 0.006 0.000 1.080 199 A CA -0.108 51.932 52.037 0.006 0.000 0.779 199 A CB -0.107 18.896 19.000 0.005 0.000 1.026 199 A HN 0.599 nan 8.150 nan 0.000 0.499 200 E N 0.791 120.994 120.200 0.005 0.000 2.153 200 E HA -0.193 4.158 4.350 0.001 0.000 0.194 200 E C 1.317 177.920 176.600 0.005 0.000 0.988 200 E CA 1.562 57.965 56.400 0.005 0.000 0.811 200 E CB -0.207 29.495 29.700 0.004 0.000 0.746 200 E HN 0.879 nan 8.360 nan 0.000 0.466 201 D N 0.578 120.981 120.400 0.004 0.000 2.224 201 D HA -0.049 4.591 4.640 0.001 0.000 0.205 201 D C 1.790 178.093 176.300 0.005 0.000 0.965 201 D CA 1.116 55.118 54.000 0.004 0.000 0.852 201 D CB -0.294 40.507 40.800 0.003 0.000 0.947 201 D HN 0.058 nan 8.370 nan 0.000 0.494 202 A N 1.202 124.026 122.820 0.006 0.000 1.902 202 A HA -0.087 4.234 4.320 0.001 0.000 0.217 202 A C 2.374 179.963 177.584 0.009 0.000 1.181 202 A CA 1.130 53.171 52.037 0.007 0.000 0.623 202 A CB -0.529 18.476 19.000 0.007 0.000 0.818 202 A HN 0.232 nan 8.150 nan 0.000 0.443 203 I N -0.328 120.247 120.570 0.008 0.000 2.353 203 I HA -0.160 4.011 4.170 0.001 0.000 0.248 203 I C 2.919 179.041 176.117 0.008 0.000 1.119 203 I CA 1.313 62.619 61.300 0.009 0.000 1.417 203 I CB -1.504 36.501 38.000 0.008 0.000 1.078 203 I HN 0.363 nan 8.210 nan 0.000 0.421 204 A N 0.852 123.676 122.820 0.007 0.000 1.902 204 A HA -0.235 4.085 4.320 0.001 0.000 0.217 204 A C 2.525 180.112 177.584 0.005 0.000 1.181 204 A CA 1.644 53.684 52.037 0.005 0.000 0.623 204 A CB -0.677 18.325 19.000 0.004 0.000 0.818 204 A HN 0.321 nan 8.150 nan 0.000 0.443 205 R N -0.496 120.007 120.500 0.005 0.000 2.081 205 R HA -0.113 4.228 4.340 0.001 0.000 0.235 205 R C 2.286 178.590 176.300 0.007 0.000 1.131 205 R CA 1.441 57.544 56.100 0.005 0.000 0.960 205 R CB -0.354 29.950 30.300 0.005 0.000 0.856 205 R HN 0.465 nan 8.270 nan 0.000 0.436 206 A N 0.564 123.390 122.820 0.011 0.000 1.872 206 A HA -0.030 4.290 4.320 0.001 0.000 0.214 206 A C 2.345 179.936 177.584 0.012 0.000 1.187 206 A CA 1.411 53.457 52.037 0.015 0.000 0.614 206 A CB -0.767 18.245 19.000 0.019 0.000 0.826 206 A HN 0.504 nan 8.150 nan 0.000 0.442 207 A N 0.256 123.082 122.820 0.010 0.000 1.917 207 A HA -0.274 4.047 4.320 0.001 0.000 0.219 207 A C 1.823 179.410 177.584 0.006 0.000 1.182 207 A CA 2.413 54.456 52.037 0.009 0.000 0.633 207 A CB -0.861 18.145 19.000 0.008 0.000 0.819 207 A HN 0.593 nan 8.150 nan 0.000 0.448 208 D N -0.337 120.065 120.400 0.003 0.000 2.104 208 D HA -0.148 4.493 4.640 0.001 0.000 0.194 208 D C 1.837 178.133 176.300 -0.007 0.000 0.994 208 D CA 1.472 55.471 54.000 -0.002 0.000 0.830 208 D CB -0.211 40.587 40.800 -0.003 0.000 0.959 208 D HN 0.424 nan 8.370 nan 0.000 0.452 209 L N -0.017 121.202 121.223 -0.006 0.000 2.046 209 L HA -0.118 4.223 4.340 0.001 0.000 0.208 209 L C 2.582 179.442 176.870 -0.016 0.000 1.077 209 L CA 0.767 55.598 54.840 -0.015 0.000 0.747 209 L CB -0.371 41.681 42.059 -0.011 0.000 0.896 209 L HN 0.208 nan 8.230 nan 0.000 0.432 210 I N -0.314 120.254 120.570 -0.003 0.000 2.202 210 I HA -0.282 3.888 4.170 0.001 0.000 0.242 210 I C 2.472 178.589 176.117 0.000 0.000 1.091 210 I CA 1.303 62.605 61.300 0.004 0.000 1.368 210 I CB -0.258 37.753 38.000 0.019 0.000 1.058 210 I HN 0.173 nan 8.210 nan 0.000 0.410 211 K N 0.537 120.937 120.400 0.001 0.000 2.209 211 K HA -0.103 4.218 4.320 0.001 0.000 0.204 211 K C 1.256 177.852 176.600 -0.008 0.000 1.048 211 K CA 0.981 57.268 56.287 0.001 0.000 0.940 211 K CB -0.124 32.378 32.500 0.002 0.000 0.729 211 K HN 0.392 nan 8.250 nan 0.000 0.451 212 N N 0.128 118.817 118.700 -0.018 0.000 2.236 212 N HA 0.064 4.805 4.740 0.001 0.000 0.196 212 N C -0.296 175.185 175.510 -0.048 0.000 1.114 212 N CA -0.017 53.016 53.050 -0.028 0.000 0.859 212 N CB 0.784 39.254 38.487 -0.027 0.000 0.982 212 N HN 0.035 nan 8.380 nan 0.000 0.493 213 A N 1.233 124.020 122.820 -0.055 0.000 2.477 213 A HA 0.147 4.468 4.320 0.001 0.000 0.246 213 A C 1.216 178.729 177.584 -0.119 0.000 1.078 213 A CA 0.032 52.011 52.037 -0.096 0.000 0.770 213 A CB 0.692 19.639 19.000 -0.089 0.000 1.011 213 A HN -0.018 nan 8.150 nan 0.000 0.494 214 K N 1.461 121.751 120.400 -0.183 0.000 2.202 214 K HA 0.060 4.381 4.320 0.001 0.000 0.201 214 K C 0.250 176.615 176.600 -0.392 0.000 1.051 214 K CA 0.966 57.130 56.287 -0.205 0.000 0.977 214 K CB 0.247 32.634 32.500 -0.189 0.000 0.792 214 K HN 0.732 nan 8.250 nan 0.000 0.469 215 R N 1.193 121.299 120.500 -0.657 0.000 2.655 215 R HA 0.212 4.552 4.340 0.001 0.000 0.261 215 R C -2.670 173.064 176.300 -0.943 0.000 1.624 215 R CA -1.167 54.006 56.100 -1.545 0.000 1.655 215 R CB 1.505 30.683 30.300 -1.870 0.000 1.356 215 R HN 0.032 nan 8.270 nan 0.000 0.684 216 P HA 0.217 nan 4.420 nan 0.000 0.281 216 P C -0.527 176.936 177.300 0.271 0.000 1.249 216 P CA -0.349 62.746 63.100 -0.009 0.000 0.810 216 P CB 2.068 33.790 31.700 0.037 0.000 1.008 217 V N 3.709 123.756 119.914 0.222 0.000 2.925 217 V HA 0.435 4.555 4.120 0.001 0.000 0.311 217 V C -0.509 175.710 176.094 0.209 0.000 1.104 217 V CA -1.050 61.410 62.300 0.267 0.000 0.954 217 V CB 2.140 34.129 31.823 0.277 0.000 1.022 217 V HN 0.343 nan 8.190 nan 0.000 0.427 218 I N 6.230 126.931 120.570 0.218 0.000 2.330 218 I HA 0.415 4.586 4.170 0.001 0.000 0.289 218 I C -0.330 175.914 176.117 0.212 0.000 1.001 218 I CA -0.402 61.016 61.300 0.197 0.000 1.193 218 I CB 1.606 39.712 38.000 0.176 0.000 1.345 218 I HN 0.368 nan 8.210 nan 0.000 0.461 219 M N 7.732 127.445 119.600 0.188 0.000 2.063 219 M HA 0.409 4.889 4.480 0.001 0.000 0.348 219 M C -0.614 175.770 176.300 0.140 0.000 1.180 219 M CA -0.315 55.089 55.300 0.173 0.000 1.059 219 M CB 0.875 33.590 32.600 0.192 0.000 1.544 219 M HN 0.392 nan 8.290 nan 0.000 0.447 220 L N 2.960 124.270 121.223 0.145 0.000 2.275 220 L HA 0.671 5.012 4.340 0.001 0.000 0.288 220 L C 0.840 177.767 176.870 0.095 0.000 1.046 220 L CA -0.546 54.360 54.840 0.110 0.000 0.805 220 L CB 1.343 43.468 42.059 0.110 0.000 1.193 220 L HN 0.751 nan 8.230 nan 0.000 0.426 221 G N 1.565 110.413 108.800 0.080 0.000 2.601 221 G HA2 0.329 4.289 3.960 0.001 0.000 0.317 221 G HA3 0.329 4.289 3.960 0.001 0.000 0.317 221 G C 0.519 175.484 174.900 0.108 0.000 1.246 221 G CA -0.549 44.594 45.100 0.071 0.000 1.012 221 G HN 0.788 nan 8.290 nan 0.000 0.494 222 K N -1.299 119.175 120.400 0.124 0.000 2.365 222 K HA 0.105 4.426 4.320 0.001 0.000 0.199 222 K C 1.934 178.724 176.600 0.316 0.000 1.045 222 K CA 1.063 57.490 56.287 0.234 0.000 0.962 222 K CB -0.002 32.617 32.500 0.199 0.000 0.759 222 K HN 0.436 nan 8.250 nan 0.000 0.469 223 G N 1.400 110.319 108.800 0.198 0.000 2.408 223 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 223 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 223 G C 1.668 176.687 174.900 0.200 0.000 1.150 223 G CA 0.682 45.898 45.100 0.194 0.000 0.776 223 G HN 0.431 nan 8.290 nan 0.000 0.542 224 A N 1.158 124.061 122.820 0.139 0.000 1.898 224 A HA 0.319 4.639 4.320 0.001 0.000 0.216 224 A C 2.801 180.435 177.584 0.084 0.000 1.181 224 A CA 2.113 54.206 52.037 0.093 0.000 0.620 224 A CB -0.726 18.311 19.000 0.062 0.000 0.819 224 A HN 0.705 nan 8.150 nan 0.000 0.442 225 A N -1.447 121.448 122.820 0.125 0.000 1.902 225 A HA -0.123 4.198 4.320 0.001 0.000 0.217 225 A C 2.135 179.720 177.584 0.002 0.000 1.181 225 A CA 1.616 53.706 52.037 0.088 0.000 0.623 225 A CB -0.878 18.238 19.000 0.194 0.000 0.818 225 A HN 0.743 nan 8.150 nan 0.000 0.443 226 Y N 0.824 121.098 120.300 -0.042 0.000 2.256 226 Y HA -0.127 4.423 4.550 0.001 0.000 0.288 226 Y C 2.474 178.307 175.900 -0.112 0.000 1.155 226 Y CA 1.107 59.107 58.100 -0.167 0.000 1.203 226 Y CB -0.362 38.115 38.460 0.028 0.000 0.980 226 Y HN 0.307 nan 8.280 nan 0.000 0.530 227 A N -0.040 122.755 122.820 -0.040 0.000 2.070 227 A HA -0.170 4.151 4.320 0.001 0.000 0.220 227 A C 1.041 178.522 177.584 -0.171 0.000 1.159 227 A CA 1.153 53.135 52.037 -0.093 0.000 0.656 227 A CB -0.553 18.456 19.000 0.015 0.000 0.800 227 A HN 0.644 nan 8.150 nan 0.000 0.453 228 Q N -2.051 117.643 119.800 -0.176 0.000 2.453 228 Q HA -0.201 4.140 4.340 0.001 0.000 0.330 228 Q C -0.155 175.782 176.000 -0.105 0.000 1.417 228 Q CA 0.493 56.200 55.803 -0.159 0.000 0.902 228 Q CB -2.527 26.086 28.738 -0.207 0.000 1.154 228 Q HN 1.153 nan 8.270 nan 0.000 0.395 229 C N -2.480 116.774 119.300 -0.077 0.000 3.359 229 C HA 0.293 4.753 4.460 0.001 0.000 0.194 229 C C 1.051 176.006 174.990 -0.058 0.000 1.659 229 C CA -0.844 58.139 59.018 -0.059 0.000 1.338 229 C CB 0.211 27.924 27.740 -0.045 0.000 2.109 229 C HN 0.374 nan 8.230 nan 0.000 0.518 230 D N 1.531 121.893 120.400 -0.063 0.000 2.144 230 D HA -0.122 4.518 4.640 0.001 0.000 0.200 230 D C 1.254 177.511 176.300 -0.071 0.000 0.978 230 D CA 1.616 55.576 54.000 -0.067 0.000 0.833 230 D CB 0.109 40.873 40.800 -0.061 0.000 0.961 230 D HN 0.538 nan 8.370 nan 0.000 0.470 231 D N 0.790 121.156 120.400 -0.056 0.000 2.144 231 D HA -0.091 4.550 4.640 0.001 0.000 0.200 231 D C 2.010 178.279 176.300 -0.051 0.000 0.978 231 D CA 0.628 54.599 54.000 -0.049 0.000 0.833 231 D CB -0.079 40.700 40.800 -0.035 0.000 0.961 231 D HN 0.223 nan 8.370 nan 0.000 0.470 232 E N 0.306 120.478 120.200 -0.048 0.000 2.047 232 E HA -0.092 4.259 4.350 0.001 0.000 0.191 232 E C 2.421 178.987 176.600 -0.056 0.000 0.987 232 E CA 0.444 56.819 56.400 -0.042 0.000 0.799 232 E CB -0.100 29.580 29.700 -0.033 0.000 0.752 232 E HN 0.360 nan 8.360 nan 0.000 0.449 233 I N 0.660 121.187 120.570 -0.071 0.000 2.286 233 I HA -0.255 3.915 4.170 0.001 0.000 0.248 233 I C 2.783 178.809 176.117 -0.152 0.000 1.115 233 I CA 0.963 62.205 61.300 -0.097 0.000 1.392 233 I CB -0.207 37.733 38.000 -0.100 0.000 1.065 233 I HN -0.003 nan 8.210 nan 0.000 0.418 234 R N 1.267 121.670 120.500 -0.161 0.000 2.092 234 R HA -0.134 4.207 4.340 0.001 0.000 0.231 234 R C 2.342 178.565 176.300 -0.128 0.000 1.119 234 R CA 1.468 57.446 56.100 -0.203 0.000 0.970 234 R CB -0.229 29.976 30.300 -0.158 0.000 0.864 234 R HN 0.327 nan 8.270 nan 0.000 0.440 235 A N 0.979 123.755 122.820 -0.075 0.000 1.930 235 A HA -0.135 4.185 4.320 0.001 0.000 0.217 235 A C 2.012 179.576 177.584 -0.033 0.000 1.175 235 A CA 1.159 53.173 52.037 -0.038 0.000 0.627 235 A CB -0.531 18.453 19.000 -0.026 0.000 0.815 235 A HN 0.403 nan 8.150 nan 0.000 0.443 236 L N -0.139 121.057 121.223 -0.046 0.000 2.017 236 L HA -0.102 4.239 4.340 0.001 0.000 0.208 236 L C 2.366 179.219 176.870 -0.028 0.000 1.073 236 L CA 1.915 56.737 54.840 -0.030 0.000 0.745 236 L CB -0.486 41.554 42.059 -0.032 0.000 0.894 236 L HN 0.141 nan 8.230 nan 0.000 0.432 237 V N -0.235 119.633 119.914 -0.077 0.000 2.343 237 V HA -0.275 3.846 4.120 0.001 0.000 0.247 237 V C 2.498 178.595 176.094 0.004 0.000 1.051 237 V CA 2.133 64.390 62.300 -0.073 0.000 1.036 237 V CB -0.619 31.039 31.823 -0.275 0.000 0.654 237 V HN 0.510 nan 8.190 nan 0.000 0.451 238 E N -0.268 119.932 120.200 0.000 0.000 2.072 238 E HA -0.196 4.155 4.350 0.001 0.000 0.190 238 E C 2.263 178.897 176.600 0.056 0.000 0.982 238 E CA 1.160 57.601 56.400 0.068 0.000 0.803 238 E CB -0.106 29.640 29.700 0.077 0.000 0.755 238 E HN 0.658 nan 8.360 nan 0.000 0.453 239 E N -0.026 120.193 120.200 0.032 0.000 2.110 239 E HA -0.159 4.191 4.350 0.001 0.000 0.193 239 E C 2.195 178.819 176.600 0.040 0.000 0.988 239 E CA 1.782 58.201 56.400 0.031 0.000 0.804 239 E CB -0.008 29.703 29.700 0.018 0.000 0.745 239 E HN 0.317 nan 8.360 nan 0.000 0.458 240 T N -3.363 111.218 114.554 0.044 0.000 3.043 240 T HA 0.132 4.482 4.350 0.001 0.000 0.263 240 T C 1.675 176.422 174.700 0.079 0.000 1.094 240 T CA 0.518 62.652 62.100 0.056 0.000 1.127 240 T CB 0.246 69.147 68.868 0.055 0.000 0.905 240 T HN 0.284 nan 8.240 nan 0.000 0.490 241 G N 1.600 110.455 108.800 0.091 0.000 2.153 241 G HA2 -0.226 3.735 3.960 0.001 0.000 0.252 241 G HA3 -0.226 3.735 3.960 0.001 0.000 0.252 241 G C 0.041 175.031 174.900 0.149 0.000 0.994 241 G CA 0.192 45.362 45.100 0.115 0.000 0.698 241 G HN 0.688 nan 8.290 nan 0.000 0.521 242 I N 2.585 123.248 120.570 0.156 0.000 2.441 242 I HA 0.240 4.410 4.170 0.001 0.000 0.287 242 I C -1.371 174.887 176.117 0.234 0.000 1.049 242 I CA -2.177 59.244 61.300 0.201 0.000 1.381 242 I CB 0.958 39.064 38.000 0.177 0.000 1.409 242 I HN -0.075 nan 8.210 nan 0.000 0.523 243 P HA 0.084 nan 4.420 nan 0.000 0.269 243 P C -0.990 176.454 177.300 0.241 0.000 1.209 243 P CA 0.169 63.371 63.100 0.170 0.000 0.776 243 P CB 0.372 32.070 31.700 -0.003 0.000 0.876 244 F N 0.601 120.579 119.950 0.045 0.000 2.603 244 F HA 0.764 5.291 4.527 0.001 0.000 0.317 244 F C -1.671 174.145 175.800 0.027 0.000 1.066 244 F CA -1.488 56.535 58.000 0.039 0.000 0.941 244 F CB 1.384 40.389 39.000 0.008 0.000 1.291 244 F HN 0.012 nan 8.300 nan 0.000 0.472 245 L N 3.502 124.790 121.223 0.109 0.000 2.406 245 L HA 0.528 4.868 4.340 0.001 0.000 0.272 245 L C -2.674 174.277 176.870 0.135 0.000 0.980 245 L CA -1.983 52.858 54.840 0.001 0.000 0.831 245 L CB 2.558 44.622 42.059 0.009 0.000 1.253 245 L HN 0.439 nan 8.230 nan 0.000 0.406 246 P HA 0.271 nan 4.420 nan 0.000 0.290 246 P C -0.722 176.617 177.300 0.065 0.000 1.276 246 P CA -0.626 62.559 63.100 0.143 0.000 0.808 246 P CB 1.297 33.097 31.700 0.167 0.000 0.966 247 M N 1.857 121.493 119.600 0.059 0.000 2.157 247 M HA 0.133 4.614 4.480 0.001 0.000 0.304 247 M C 2.147 178.461 176.300 0.023 0.000 1.171 247 M CA 0.260 55.570 55.300 0.015 0.000 1.157 247 M CB -0.594 32.007 32.600 0.002 0.000 1.403 247 M HN 0.578 nan 8.290 nan 0.000 0.473 248 G N 1.154 109.951 108.800 -0.004 0.000 2.624 248 G HA2 -0.251 3.709 3.960 0.001 0.000 0.221 248 G HA3 -0.251 3.709 3.960 0.001 0.000 0.221 248 G C 1.214 176.139 174.900 0.041 0.000 1.169 248 G CA 1.145 46.252 45.100 0.011 0.000 0.771 248 G HN 0.646 nan 8.290 nan 0.000 0.598 249 M N 0.616 120.244 119.600 0.048 0.000 2.428 249 M HA 0.338 4.818 4.480 0.001 0.000 0.239 249 M C 2.420 178.802 176.300 0.136 0.000 1.121 249 M CA 0.372 55.717 55.300 0.076 0.000 1.019 249 M CB 0.712 33.318 32.600 0.009 0.000 1.485 249 M HN 0.301 nan 8.290 nan 0.000 0.484 250 A N 0.324 123.214 122.820 0.117 0.000 2.208 250 A HA 0.066 4.387 4.320 0.001 0.000 0.209 250 A C 0.721 178.376 177.584 0.120 0.000 1.161 250 A CA 0.192 52.305 52.037 0.126 0.000 0.782 250 A CB -0.205 18.864 19.000 0.114 0.000 0.816 250 A HN 0.294 nan 8.150 nan 0.000 0.477 251 K N -0.330 120.135 120.400 0.108 0.000 2.491 251 K HA 0.257 4.577 4.320 0.001 0.000 0.279 251 K C 1.226 177.887 176.600 0.102 0.000 1.026 251 K CA 0.817 57.167 56.287 0.105 0.000 1.070 251 K CB 0.006 32.555 32.500 0.081 0.000 0.887 251 K HN 0.584 nan 8.250 nan 0.000 0.481 252 G N 2.043 110.905 108.800 0.104 0.000 2.241 252 G HA2 -0.279 3.682 3.960 0.001 0.000 0.244 252 G HA3 -0.279 3.682 3.960 0.001 0.000 0.244 252 G C 0.607 175.540 174.900 0.056 0.000 0.998 252 G CA 0.239 45.387 45.100 0.081 0.000 0.621 252 G HN 0.532 nan 8.290 nan 0.000 0.519 253 L N 0.067 121.322 121.223 0.052 0.000 1.989 253 L HA 0.322 4.662 4.340 0.001 0.000 0.211 253 L C 1.207 178.046 176.870 -0.052 0.000 1.071 253 L CA 1.899 56.741 54.840 0.003 0.000 0.749 253 L CB -0.643 41.420 42.059 0.008 0.000 0.890 253 L HN 0.320 nan 8.230 nan 0.000 0.431 254 L N -0.004 121.172 121.223 -0.080 0.000 2.334 254 L HA 0.442 4.783 4.340 0.001 0.000 0.275 254 L C -2.092 174.824 176.870 0.078 0.000 1.036 254 L CA -1.826 52.944 54.840 -0.116 0.000 0.807 254 L CB 0.363 42.133 42.059 -0.482 0.000 1.231 254 L HN -0.063 nan 8.230 nan 0.000 0.438 255 P HA -0.012 nan 4.420 nan 0.000 0.264 255 P C -0.200 177.230 177.300 0.217 0.000 1.183 255 P CA 0.149 63.340 63.100 0.150 0.000 0.763 255 P CB 0.521 32.311 31.700 0.149 0.000 0.807 256 D N 1.703 122.195 120.400 0.153 0.000 2.310 256 D HA -0.113 4.527 4.640 0.001 0.000 0.212 256 D C 1.065 177.430 176.300 0.108 0.000 0.965 256 D CA 1.159 55.239 54.000 0.134 0.000 0.879 256 D CB -0.402 40.446 40.800 0.081 0.000 0.921 256 D HN 0.473 nan 8.370 nan 0.000 0.510 257 N N -0.249 118.517 118.700 0.109 0.000 2.313 257 N HA -0.121 4.620 4.740 0.001 0.000 0.207 257 N C 0.290 175.863 175.510 0.105 0.000 1.141 257 N CA -0.163 52.932 53.050 0.074 0.000 0.830 257 N CB -0.713 37.798 38.487 0.040 0.000 1.008 257 N HN 0.171 nan 8.380 nan 0.000 0.481 258 H N 2.110 121.247 119.070 0.111 0.000 2.928 258 H HA 0.053 4.610 4.556 0.001 0.000 0.338 258 H C -1.301 174.089 175.328 0.103 0.000 1.047 258 H CA -0.849 55.292 56.048 0.155 0.000 1.435 258 H CB 1.422 31.386 29.762 0.336 0.000 1.428 258 H HN 0.049 nan 8.280 nan 0.000 0.590 259 P HA -0.124 nan 4.420 nan 0.000 0.222 259 P C 0.580 177.917 177.300 0.063 0.000 1.147 259 P CA 1.196 64.255 63.100 -0.068 0.000 0.790 259 P CB 0.247 31.862 31.700 -0.141 0.000 0.780 260 Q N -0.706 119.297 119.800 0.337 0.000 2.360 260 Q HA 0.099 4.440 4.340 0.001 0.000 0.202 260 Q C 0.756 176.773 176.000 0.029 0.000 0.915 260 Q CA -0.106 55.889 55.803 0.319 0.000 0.943 260 Q CB 0.081 29.145 28.738 0.543 0.000 1.064 260 Q HN 0.075 nan 8.270 nan 0.000 0.511 261 S N 0.175 115.749 115.700 -0.211 0.000 2.516 261 S HA 0.276 4.746 4.470 0.001 0.000 0.282 261 S C 0.520 174.861 174.600 -0.431 0.000 1.286 261 S CA -0.164 57.544 58.200 -0.821 0.000 1.066 261 S CB 0.883 63.755 63.200 -0.548 0.000 0.884 261 S HN 0.359 nan 8.310 nan 0.000 0.491 262 A N 4.536 127.093 122.820 -0.438 0.000 2.500 262 A HA 0.590 4.911 4.320 0.001 0.000 0.267 262 A C 1.820 179.281 177.584 -0.206 0.000 1.290 262 A CA 0.422 52.306 52.037 -0.254 0.000 0.928 262 A CB -0.546 18.335 19.000 -0.199 0.000 1.066 262 A HN 1.051 nan 8.150 nan 0.000 0.516 263 A N 0.260 122.937 122.820 -0.239 0.000 1.948 263 A HA 0.066 4.387 4.320 0.001 0.000 0.220 263 A C 2.214 179.732 177.584 -0.110 0.000 1.177 263 A CA 1.878 53.821 52.037 -0.156 0.000 0.636 263 A CB -0.598 18.318 19.000 -0.141 0.000 0.815 263 A HN 1.166 nan 8.150 nan 0.000 0.449 264 A N -2.178 120.577 122.820 -0.110 0.000 2.235 264 A HA 0.220 4.541 4.320 0.001 0.000 0.208 264 A C 1.566 179.100 177.584 -0.082 0.000 1.172 264 A CA 1.626 53.612 52.037 -0.085 0.000 0.786 264 A CB -0.401 18.550 19.000 -0.081 0.000 0.804 264 A HN 0.412 nan 8.150 nan 0.000 0.479 265 T N -1.478 113.025 114.554 -0.086 0.000 3.571 265 T HA 0.188 4.539 4.350 0.001 0.000 0.292 265 T C 1.199 175.886 174.700 -0.022 0.000 0.994 265 T CA -0.215 61.852 62.100 -0.055 0.000 0.996 265 T CB -0.521 68.300 68.868 -0.077 0.000 1.185 265 T HN 0.516 nan 8.240 nan 0.000 0.482 266 R N 0.716 121.182 120.500 -0.056 0.000 2.094 266 R HA -0.075 4.265 4.340 0.001 0.000 0.239 266 R C 2.378 178.624 176.300 -0.091 0.000 1.137 266 R CA 2.042 58.094 56.100 -0.081 0.000 0.943 266 R CB -0.538 29.704 30.300 -0.097 0.000 0.850 266 R HN 0.448 nan 8.270 nan 0.000 0.433 267 A N 0.592 123.372 122.820 -0.066 0.000 1.873 267 A HA -0.247 4.074 4.320 0.001 0.000 0.218 267 A C 2.070 179.636 177.584 -0.029 0.000 1.193 267 A CA 1.718 53.712 52.037 -0.072 0.000 0.629 267 A CB -0.975 18.012 19.000 -0.023 0.000 0.826 267 A HN 0.571 nan 8.150 nan 0.000 0.447 268 F N 0.625 120.521 119.950 -0.089 0.000 2.146 268 F HA 0.015 4.543 4.527 0.001 0.000 0.298 268 F C 2.533 178.336 175.800 0.005 0.000 1.096 268 F CA 1.135 59.109 58.000 -0.044 0.000 1.275 268 F CB -0.401 38.566 39.000 -0.054 0.000 1.008 268 F HN 0.252 nan 8.300 nan 0.000 0.480 269 A N 0.602 123.448 122.820 0.043 0.000 1.877 269 A HA -0.120 4.200 4.320 0.001 0.000 0.216 269 A C 2.293 179.889 177.584 0.019 0.000 1.186 269 A CA 1.742 53.816 52.037 0.061 0.000 0.620 269 A CB -1.166 17.852 19.000 0.030 0.000 0.822 269 A HN 0.466 nan 8.150 nan 0.000 0.443 270 L N -0.887 120.239 121.223 -0.162 0.000 2.083 270 L HA -0.182 4.158 4.340 0.001 0.000 0.209 270 L C 3.039 179.733 176.870 -0.293 0.000 1.083 270 L CA 1.097 55.705 54.840 -0.386 0.000 0.752 270 L CB -0.528 41.030 42.059 -0.836 0.000 0.899 270 L HN 0.454 nan 8.230 nan 0.000 0.433 271 A N -1.062 121.607 122.820 -0.252 0.000 2.014 271 A HA -0.134 4.187 4.320 0.001 0.000 0.218 271 A C 2.129 179.621 177.584 -0.155 0.000 1.163 271 A CA 1.050 52.986 52.037 -0.168 0.000 0.652 271 A CB -0.094 18.811 19.000 -0.158 0.000 0.808 271 A HN 0.395 nan 8.150 nan 0.000 0.449 272 Q N -0.700 118.963 119.800 -0.228 0.000 2.352 272 Q HA 0.092 4.432 4.340 0.001 0.000 0.212 272 Q C 1.138 176.995 176.000 -0.239 0.000 0.888 272 Q CA 0.549 56.205 55.803 -0.246 0.000 0.934 272 Q CB -0.665 27.815 28.738 -0.430 0.000 1.093 272 Q HN 0.820 nan 8.270 nan 0.000 0.523 273 C N 1.850 121.062 119.300 -0.146 0.000 2.727 273 C HA 0.206 4.667 4.460 0.001 0.000 0.401 273 C C 1.468 176.315 174.990 -0.238 0.000 1.294 273 C CA -0.159 58.702 59.018 -0.261 0.000 2.134 273 C CB 0.565 28.299 27.740 -0.009 0.000 2.724 273 C HN 0.482 nan 8.230 nan 0.000 0.677 274 D N 0.753 120.976 120.400 -0.295 0.000 2.525 274 D HA 0.076 4.716 4.640 0.001 0.000 0.248 274 D C 0.258 176.442 176.300 -0.194 0.000 1.000 274 D CA 0.327 54.194 54.000 -0.222 0.000 0.923 274 D CB -0.317 40.347 40.800 -0.227 0.000 1.101 274 D HN 0.473 nan 8.370 nan 0.000 0.493 275 V N 0.947 120.758 119.914 -0.172 0.000 2.417 275 V HA 0.357 4.478 4.120 0.001 0.000 0.291 275 V C -0.520 175.538 176.094 -0.059 0.000 1.024 275 V CA -1.128 61.095 62.300 -0.127 0.000 0.861 275 V CB 1.850 33.624 31.823 -0.083 0.000 0.985 275 V HN 0.424 nan 8.190 nan 0.000 0.436 276 C N 6.145 125.406 119.300 -0.064 0.000 2.319 276 C HA 0.711 5.172 4.460 0.001 0.000 0.323 276 C C -0.139 174.956 174.990 0.175 0.000 1.277 276 C CA -0.310 58.771 59.018 0.104 0.000 1.517 276 C CB 0.538 28.396 27.740 0.198 0.000 2.206 276 C HN 0.694 nan 8.230 nan 0.000 0.486 277 V N 8.479 128.493 119.914 0.167 0.000 2.288 277 V HA 0.270 4.390 4.120 0.001 0.000 0.266 277 V C 0.151 176.334 176.094 0.149 0.000 1.048 277 V CA -0.108 62.276 62.300 0.140 0.000 0.842 277 V CB 0.602 32.487 31.823 0.103 0.000 1.064 277 V HN 0.746 nan 8.190 nan 0.000 0.472 278 L N 6.325 127.636 121.223 0.146 0.000 2.325 278 L HA 0.451 4.792 4.340 0.001 0.000 0.284 278 L C -0.170 176.743 176.870 0.072 0.000 1.089 278 L CA 0.172 55.077 54.840 0.109 0.000 0.836 278 L CB 0.432 42.530 42.059 0.065 0.000 1.184 278 L HN 0.479 nan 8.230 nan 0.000 0.444 279 I N 3.570 124.182 120.570 0.070 0.000 2.371 279 I HA 0.271 4.441 4.170 0.001 0.000 0.282 279 I C 1.005 177.154 176.117 0.052 0.000 1.031 279 I CA -0.369 60.963 61.300 0.052 0.000 1.180 279 I CB 1.285 39.312 38.000 0.044 0.000 1.336 279 I HN 0.861 nan 8.210 nan 0.000 0.467 280 G N 4.819 113.646 108.800 0.045 0.000 2.273 280 G HA2 -0.117 3.844 3.960 0.001 0.000 0.280 280 G HA3 -0.117 3.844 3.960 0.001 0.000 0.280 280 G C 0.024 174.948 174.900 0.040 0.000 1.047 280 G CA 0.267 45.397 45.100 0.049 0.000 0.869 280 G HN 0.926 nan 8.290 nan 0.000 0.502 281 A N -0.376 122.457 122.820 0.023 0.000 2.398 281 A HA 0.859 5.180 4.320 0.001 0.000 0.301 281 A C 0.169 177.738 177.584 -0.025 0.000 1.041 281 A CA -0.678 51.363 52.037 0.006 0.000 0.711 281 A CB 1.200 20.219 19.000 0.032 0.000 1.240 281 A HN 0.442 nan 8.150 nan 0.000 0.420 282 R N 1.537 122.006 120.500 -0.051 0.000 2.459 282 R HA 0.343 4.683 4.340 0.001 0.000 0.281 282 R C -0.371 175.872 176.300 -0.094 0.000 1.050 282 R CA -0.803 55.253 56.100 -0.073 0.000 1.055 282 R CB 0.802 31.063 30.300 -0.066 0.000 1.045 282 R HN 0.531 nan 8.270 nan 0.000 0.495 283 L N 4.907 126.051 121.223 -0.132 0.000 2.672 283 L HA 0.020 4.360 4.340 0.001 0.000 0.238 283 L C 0.249 177.052 176.870 -0.112 0.000 1.392 283 L CA 0.356 55.099 54.840 -0.161 0.000 1.238 283 L CB -2.256 39.614 42.059 -0.315 0.000 1.548 283 L HN 0.676 nan 8.230 nan 0.000 0.423 284 N N -0.494 118.122 118.700 -0.140 0.000 2.562 284 N HA 0.040 4.781 4.740 0.001 0.000 0.299 284 N C 1.340 176.541 175.510 -0.514 0.000 1.344 284 N CA -0.423 52.532 53.050 -0.159 0.000 0.914 284 N CB -0.294 38.195 38.487 0.003 0.000 1.101 284 N HN 0.304 nan 8.380 nan 0.000 0.527 285 W N -0.650 120.356 121.300 -0.490 0.000 2.374 285 W HA 0.037 4.697 4.660 0.001 0.000 0.288 285 W C 1.077 177.488 176.519 -0.180 0.000 1.218 285 W CA 0.289 57.381 57.345 -0.422 0.000 1.245 285 W CB -1.195 28.215 29.460 -0.083 0.000 1.126 285 W HN 0.259 nan 8.180 nan 0.000 0.545 286 L N 0.899 121.415 121.223 -1.180 0.000 2.353 286 L HA -0.096 4.245 4.340 0.001 0.000 0.220 286 L C 2.284 178.917 176.870 -0.395 0.000 1.133 286 L CA 1.074 55.320 54.840 -0.990 0.000 0.798 286 L CB -0.383 41.121 42.059 -0.926 0.000 0.922 286 L HN -0.069 nan 8.230 nan 0.000 0.445 287 M N -1.094 118.365 119.600 -0.235 0.000 2.496 287 M HA 0.130 4.611 4.480 0.001 0.000 0.330 287 M C -0.049 176.382 176.300 0.218 0.000 1.133 287 M CA -0.006 55.328 55.300 0.057 0.000 0.964 287 M CB 0.909 33.605 32.600 0.159 0.000 1.401 287 M HN -0.002 nan 8.290 nan 0.000 0.520 288 Q N -0.040 119.782 119.800 0.038 0.000 2.461 288 Q HA -0.215 4.125 4.340 0.001 0.000 0.273 288 Q C -0.074 176.048 176.000 0.203 0.000 1.163 288 Q CA 0.916 56.809 55.803 0.151 0.000 0.929 288 Q CB -2.541 26.356 28.738 0.265 0.000 1.334 288 Q HN 0.595 nan 8.270 nan 0.000 0.499 289 H N -3.811 115.335 119.070 0.127 0.000 3.047 289 H HA -0.240 4.317 4.556 0.001 0.000 0.263 289 H C 1.259 176.505 175.328 -0.138 0.000 1.168 289 H CA 1.829 57.882 56.048 0.009 0.000 1.152 289 H CB -1.702 28.083 29.762 0.037 0.000 1.278 289 H HN 1.055 nan 8.280 nan 0.000 0.339 290 G N 0.299 108.976 108.800 -0.205 0.000 2.160 290 G HA2 -0.327 3.634 3.960 0.001 0.000 0.251 290 G HA3 -0.327 3.634 3.960 0.001 0.000 0.251 290 G C 0.268 174.825 174.900 -0.572 0.000 1.008 290 G CA 1.186 45.793 45.100 -0.822 0.000 0.724 290 G HN 0.870 nan 8.290 nan 0.000 0.514 291 K N -1.850 118.516 120.400 -0.057 0.000 2.499 291 K HA 0.816 5.137 4.320 0.001 0.000 0.277 291 K C 0.602 177.394 176.600 0.320 0.000 1.025 291 K CA -0.409 55.968 56.287 0.150 0.000 0.900 291 K CB 1.535 34.083 32.500 0.081 0.000 1.494 291 K HN 1.790 nan 8.250 nan 0.000 0.442 292 G N 0.760 109.696 108.800 0.227 0.000 2.587 292 G HA2 -0.205 3.755 3.960 0.001 0.000 0.212 292 G HA3 -0.205 3.755 3.960 0.001 0.000 0.212 292 G C 0.070 175.076 174.900 0.176 0.000 1.327 292 G CA -0.076 45.135 45.100 0.185 0.000 0.898 292 G HN 0.477 nan 8.290 nan 0.000 0.551 293 K N 0.169 120.640 120.400 0.118 0.000 2.097 293 K HA -0.074 4.246 4.320 0.001 0.000 0.206 293 K C 2.861 179.485 176.600 0.039 0.000 1.049 293 K CA 2.375 58.705 56.287 0.072 0.000 0.933 293 K CB -1.093 31.435 32.500 0.047 0.000 0.717 293 K HN 0.844 nan 8.250 nan 0.000 0.442 294 T N -2.253 112.311 114.554 0.016 0.000 2.929 294 T HA -0.133 4.217 4.350 0.001 0.000 0.271 294 T C 1.292 175.779 174.700 -0.355 0.000 1.085 294 T CA 0.756 62.748 62.100 -0.181 0.000 1.125 294 T CB -0.276 68.440 68.868 -0.253 0.000 0.874 294 T HN 0.284 nan 8.240 nan 0.000 0.494 295 W N 1.166 122.482 121.300 0.027 0.000 2.966 295 W HA 0.578 5.239 4.660 0.001 0.000 0.406 295 W C 1.421 177.935 176.519 -0.008 0.000 1.027 295 W CA -0.552 56.803 57.345 0.017 0.000 1.930 295 W CB -0.038 29.455 29.460 0.055 0.000 1.144 295 W HN 0.353 nan 8.180 nan 0.000 0.626 296 G N 1.495 110.368 108.800 0.122 0.000 2.179 296 G HA2 -0.350 3.611 3.960 0.001 0.000 0.257 296 G HA3 -0.350 3.611 3.960 0.001 0.000 0.257 296 G C 0.161 175.109 174.900 0.080 0.000 1.010 296 G CA 0.311 45.451 45.100 0.066 0.000 0.736 296 G HN 0.333 nan 8.290 nan 0.000 0.513 297 D N -0.284 120.186 120.400 0.116 0.000 2.697 297 D HA -0.153 4.488 4.640 0.001 0.000 0.238 297 D C 0.552 176.893 176.300 0.068 0.000 1.152 297 D CA 2.013 56.068 54.000 0.092 0.000 0.666 297 D CB -1.106 39.731 40.800 0.062 0.000 1.037 297 D HN 1.143 nan 8.370 nan 0.000 0.423 298 E N -1.490 118.760 120.200 0.083 0.000 2.412 298 E HA 0.468 4.819 4.350 0.001 0.000 0.279 298 E C -0.933 175.685 176.600 0.029 0.000 0.984 298 E CA -1.176 55.249 56.400 0.041 0.000 0.788 298 E CB 1.462 31.173 29.700 0.017 0.000 1.277 298 E HN -0.066 nan 8.360 nan 0.000 0.455 299 L N 2.667 123.887 121.223 -0.005 0.000 2.342 299 L HA 0.264 4.605 4.340 0.001 0.000 0.285 299 L C -0.392 176.413 176.870 -0.108 0.000 1.095 299 L CA -0.197 54.626 54.840 -0.029 0.000 0.843 299 L CB -0.097 41.956 42.059 -0.009 0.000 1.201 299 L HN 0.537 nan 8.230 nan 0.000 0.445 300 K N 4.598 124.848 120.400 -0.249 0.000 2.219 300 K HA 0.122 4.442 4.320 0.001 0.000 0.258 300 K C 0.014 176.335 176.600 -0.464 0.000 1.008 300 K CA -0.272 55.761 56.287 -0.424 0.000 0.928 300 K CB 0.566 32.651 32.500 -0.691 0.000 0.983 300 K HN 0.383 nan 8.250 nan 0.000 0.484 301 K N 2.445 122.646 120.400 -0.331 0.000 2.338 301 K HA 0.103 4.423 4.320 0.001 0.000 0.290 301 K C -0.561 175.875 176.600 -0.275 0.000 1.069 301 K CA 0.068 56.224 56.287 -0.218 0.000 0.941 301 K CB 0.080 32.504 32.500 -0.126 0.000 1.023 301 K HN 0.348 nan 8.250 nan 0.000 0.477 302 Y N 1.321 121.589 120.300 -0.053 0.000 2.320 302 Y HA 0.196 4.747 4.550 0.001 0.000 0.334 302 Y C 0.362 176.246 175.900 -0.027 0.000 1.055 302 Y CA -0.943 57.128 58.100 -0.049 0.000 1.143 302 Y CB 1.295 39.702 38.460 -0.087 0.000 1.193 302 Y HN 0.180 nan 8.280 nan 0.000 0.477 303 V N 4.144 124.151 119.914 0.155 0.000 2.427 303 V HA 0.346 4.466 4.120 0.001 0.000 0.286 303 V C -0.541 175.615 176.094 0.104 0.000 1.034 303 V CA -0.746 61.613 62.300 0.099 0.000 0.893 303 V CB 1.459 33.322 31.823 0.068 0.000 0.982 303 V HN 0.739 nan 8.190 nan 0.000 0.452 304 Q N 4.280 124.117 119.800 0.061 0.000 2.304 304 Q HA 0.607 4.948 4.340 0.001 0.000 0.270 304 Q C -1.609 174.405 176.000 0.024 0.000 1.035 304 Q CA -0.534 55.290 55.803 0.035 0.000 0.781 304 Q CB 1.966 30.700 28.738 -0.006 0.000 1.261 304 Q HN 0.762 nan 8.270 nan 0.000 0.444 305 I N 3.659 124.245 120.570 0.027 0.000 2.330 305 I HA 0.442 4.613 4.170 0.001 0.000 0.289 305 I C -0.683 175.445 176.117 0.019 0.000 1.001 305 I CA -0.330 60.984 61.300 0.023 0.000 1.193 305 I CB 1.275 39.292 38.000 0.027 0.000 1.345 305 I HN 0.564 nan 8.210 nan 0.000 0.461 306 D N 5.141 125.549 120.400 0.014 0.000 2.803 306 D HA 0.200 4.841 4.640 0.001 0.000 0.218 306 D C 0.171 176.478 176.300 0.012 0.000 1.245 306 D CA -0.497 53.509 54.000 0.011 0.000 0.821 306 D CB 2.729 43.527 40.800 -0.003 0.000 1.626 306 D HN 0.465 nan 8.370 nan 0.000 0.487 307 I N 1.678 122.258 120.570 0.018 0.000 2.830 307 I HA -0.113 4.058 4.170 0.001 0.000 0.263 307 I C 0.554 176.677 176.117 0.010 0.000 1.230 307 I CA 0.896 62.208 61.300 0.020 0.000 1.480 307 I CB 0.242 38.262 38.000 0.033 0.000 1.095 307 I HN 0.203 nan 8.210 nan 0.000 0.455 308 Q N 0.373 120.173 119.800 -0.000 0.000 2.349 308 Q HA 0.351 4.692 4.340 0.001 0.000 0.254 308 Q C 0.784 176.779 176.000 -0.009 0.000 0.980 308 Q CA 0.375 56.173 55.803 -0.007 0.000 0.924 308 Q CB 1.532 30.259 28.738 -0.018 0.000 1.209 308 Q HN 0.344 nan 8.270 nan 0.000 0.445 309 A N 4.214 127.031 122.820 -0.005 0.000 1.902 309 A HA -0.173 4.147 4.320 0.001 0.000 0.217 309 A C 1.311 178.888 177.584 -0.012 0.000 1.181 309 A CA 1.779 53.812 52.037 -0.006 0.000 0.623 309 A CB -0.525 18.473 19.000 -0.003 0.000 0.818 309 A HN 0.885 nan 8.150 nan 0.000 0.443 310 N N -0.394 118.298 118.700 -0.014 0.000 2.383 310 N HA -0.022 4.719 4.740 0.001 0.000 0.192 310 N C 0.864 176.360 175.510 -0.023 0.000 1.141 310 N CA 1.024 54.064 53.050 -0.017 0.000 0.851 310 N CB 0.064 38.542 38.487 -0.015 0.000 0.976 310 N HN 0.410 nan 8.380 nan 0.000 0.465 311 E N 0.320 120.504 120.200 -0.026 0.000 2.274 311 E HA 0.051 4.401 4.350 0.001 0.000 0.194 311 E C 0.297 176.870 176.600 -0.045 0.000 0.996 311 E CA 0.356 56.735 56.400 -0.035 0.000 0.840 311 E CB -0.089 29.589 29.700 -0.036 0.000 0.772 311 E HN 0.255 nan 8.360 nan 0.000 0.491 312 M N 1.351 120.928 119.600 -0.039 0.000 2.245 312 M HA 0.028 4.509 4.480 0.001 0.000 0.344 312 M C -0.079 176.192 176.300 -0.048 0.000 1.170 312 M CA 0.597 55.870 55.300 -0.045 0.000 1.135 312 M CB 0.236 32.818 32.600 -0.029 0.000 1.574 312 M HN -0.013 nan 8.290 nan 0.000 0.452 313 D N 0.168 120.529 120.400 -0.064 0.000 2.983 313 D HA -0.159 4.482 4.640 0.001 0.000 0.225 313 D C 1.126 177.392 176.300 -0.056 0.000 1.174 313 D CA 1.317 55.281 54.000 -0.059 0.000 0.831 313 D CB -1.298 39.479 40.800 -0.037 0.000 1.104 313 D HN 0.808 nan 8.370 nan 0.000 0.421 314 S N -1.444 114.219 115.700 -0.061 0.000 2.406 314 S HA -0.070 4.401 4.470 0.001 0.000 0.228 314 S C 1.498 176.073 174.600 -0.042 0.000 1.020 314 S CA 0.935 59.109 58.200 -0.043 0.000 0.965 314 S CB 0.415 63.594 63.200 -0.035 0.000 0.798 314 S HN 0.385 nan 8.310 nan 0.000 0.488 315 N N -0.254 118.406 118.700 -0.068 0.000 2.677 315 N HA 0.189 4.930 4.740 0.001 0.000 0.242 315 N C -0.157 175.299 175.510 -0.091 0.000 1.044 315 N CA 0.233 53.247 53.050 -0.059 0.000 0.934 315 N CB 0.495 38.968 38.487 -0.024 0.000 1.595 315 N HN 0.294 nan 8.380 nan 0.000 0.459 316 Q N 0.941 120.650 119.800 -0.153 0.000 2.433 316 Q HA 0.498 4.839 4.340 0.001 0.000 0.279 316 Q C -2.692 173.251 176.000 -0.094 0.000 1.105 316 Q CA -1.751 53.978 55.803 -0.123 0.000 0.815 316 Q CB 1.961 30.604 28.738 -0.158 0.000 1.403 316 Q HN 0.022 nan 8.270 nan 0.000 0.435 317 P HA 0.080 nan 4.420 nan 0.000 0.264 317 P C -0.596 176.722 177.300 0.030 0.000 1.193 317 P CA 0.172 63.268 63.100 -0.006 0.000 0.763 317 P CB 0.390 32.094 31.700 0.007 0.000 0.810 318 I N 2.871 123.448 120.570 0.010 0.000 2.330 318 I HA 0.184 4.355 4.170 0.001 0.000 0.289 318 I C 1.362 177.505 176.117 0.044 0.000 1.001 318 I CA -0.530 60.795 61.300 0.042 0.000 1.193 318 I CB 0.690 38.684 38.000 -0.010 0.000 1.345 318 I HN 0.397 nan 8.210 nan 0.000 0.461 319 A N 5.546 128.404 122.820 0.064 0.000 1.969 319 A HA 0.218 4.539 4.320 0.001 0.000 0.218 319 A C 1.213 178.812 177.584 0.024 0.000 1.169 319 A CA 1.239 53.294 52.037 0.031 0.000 0.635 319 A CB 0.108 19.118 19.000 0.017 0.000 0.810 319 A HN 0.731 nan 8.150 nan 0.000 0.445 320 A N 0.507 123.348 122.820 0.035 0.000 3.030 320 A HA 0.597 4.918 4.320 0.001 0.000 0.335 320 A C -3.000 174.600 177.584 0.026 0.000 1.089 320 A CA -1.465 50.588 52.037 0.026 0.000 0.807 320 A CB 0.399 19.415 19.000 0.026 0.000 1.099 320 A HN 0.171 nan 8.150 nan 0.000 0.474 321 P HA 0.313 nan 4.420 nan 0.000 0.282 321 P C -0.462 176.845 177.300 0.010 0.000 1.262 321 P CA 0.051 63.157 63.100 0.010 0.000 0.773 321 P CB 1.546 33.247 31.700 0.002 0.000 0.879 322 V N 5.204 125.125 119.914 0.012 0.000 2.349 322 V HA 0.181 4.301 4.120 0.001 0.000 0.284 322 V C 0.227 176.327 176.094 0.011 0.000 1.014 322 V CA -0.712 61.596 62.300 0.012 0.000 0.826 322 V CB 1.843 33.675 31.823 0.016 0.000 1.009 322 V HN 0.250 nan 8.190 nan 0.000 0.431 323 V N 4.500 124.420 119.914 0.009 0.000 2.383 323 V HA 0.980 5.101 4.120 0.001 0.000 0.275 323 V C 0.705 176.806 176.094 0.012 0.000 1.036 323 V CA 0.512 62.817 62.300 0.009 0.000 0.889 323 V CB 0.976 32.803 31.823 0.005 0.000 0.985 323 V HN 1.106 nan 8.190 nan 0.000 0.459 324 G N 3.855 112.664 108.800 0.016 0.000 2.337 324 G HA2 0.203 4.163 3.960 0.001 0.000 0.298 324 G HA3 0.203 4.163 3.960 0.001 0.000 0.298 324 G C -1.367 173.548 174.900 0.025 0.000 1.335 324 G CA -0.549 44.562 45.100 0.019 0.000 0.875 324 G HN 0.752 nan 8.290 nan 0.000 0.579 325 D N -0.361 120.056 120.400 0.028 0.000 2.382 325 D HA 0.164 4.805 4.640 0.001 0.000 0.245 325 D C 1.354 177.672 176.300 0.030 0.000 1.120 325 D CA -0.466 53.556 54.000 0.037 0.000 0.890 325 D CB 1.743 42.565 40.800 0.037 0.000 1.201 325 D HN 0.302 nan 8.370 nan 0.000 0.433 326 I N 1.615 122.207 120.570 0.037 0.000 2.208 326 I HA -0.291 3.879 4.170 0.001 0.000 0.245 326 I C 2.713 178.838 176.117 0.013 0.000 1.097 326 I CA 1.259 62.576 61.300 0.028 0.000 1.363 326 I CB -0.257 37.767 38.000 0.039 0.000 1.051 326 I HN 0.534 nan 8.210 nan 0.000 0.413 327 K N 0.547 120.951 120.400 0.007 0.000 2.009 327 K HA -0.198 4.123 4.320 0.001 0.000 0.210 327 K C 2.287 178.887 176.600 -0.001 0.000 1.049 327 K CA 2.010 58.294 56.287 -0.005 0.000 0.929 327 K CB -0.049 32.443 32.500 -0.013 0.000 0.714 327 K HN 0.180 nan 8.250 nan 0.000 0.440 328 S N 0.434 116.137 115.700 0.004 0.000 2.356 328 S HA -0.157 4.314 4.470 0.001 0.000 0.223 328 S C 2.004 176.608 174.600 0.006 0.000 1.032 328 S CA 1.286 59.489 58.200 0.005 0.000 1.005 328 S CB -0.278 62.927 63.200 0.009 0.000 0.867 328 S HN 0.535 nan 8.310 nan 0.000 0.449 329 A N 0.992 123.817 122.820 0.009 0.000 1.873 329 A HA -0.023 4.297 4.320 0.001 0.000 0.215 329 A C 2.351 179.940 177.584 0.008 0.000 1.186 329 A CA 1.432 53.475 52.037 0.010 0.000 0.616 329 A CB -0.899 18.109 19.000 0.014 0.000 0.823 329 A HN 0.334 nan 8.150 nan 0.000 0.442 330 V N -0.278 119.638 119.914 0.005 0.000 2.295 330 V HA -0.228 3.893 4.120 0.001 0.000 0.246 330 V C 2.837 178.930 176.094 -0.002 0.000 1.049 330 V CA 2.333 64.633 62.300 -0.000 0.000 1.024 330 V CB -0.824 30.994 31.823 -0.008 0.000 0.648 330 V HN 0.684 nan 8.190 nan 0.000 0.447 331 S N -0.453 115.245 115.700 -0.004 0.000 2.374 331 S HA -0.204 4.267 4.470 0.001 0.000 0.227 331 S C 1.952 176.551 174.600 -0.000 0.000 1.037 331 S CA 1.928 60.126 58.200 -0.004 0.000 1.024 331 S CB -0.334 62.863 63.200 -0.004 0.000 0.861 331 S HN 0.503 nan 8.310 nan 0.000 0.456 332 L N 0.371 121.595 121.223 0.002 0.000 2.056 332 L HA -0.029 4.312 4.340 0.001 0.000 0.207 332 L C 2.494 179.367 176.870 0.005 0.000 1.078 332 L CA 0.866 55.708 54.840 0.004 0.000 0.749 332 L CB -0.474 41.588 42.059 0.005 0.000 0.901 332 L HN 0.354 nan 8.230 nan 0.000 0.433 333 L N -0.022 121.204 121.223 0.006 0.000 2.046 333 L HA -0.189 4.151 4.340 0.001 0.000 0.208 333 L C 2.687 179.562 176.870 0.008 0.000 1.077 333 L CA 1.673 56.518 54.840 0.009 0.000 0.747 333 L CB -0.525 41.540 42.059 0.011 0.000 0.896 333 L HN 0.085 nan 8.230 nan 0.000 0.432 334 R N -0.454 120.048 120.500 0.005 0.000 2.083 334 R HA -0.175 4.165 4.340 0.001 0.000 0.237 334 R C 2.247 178.550 176.300 0.005 0.000 1.137 334 R CA 1.905 58.007 56.100 0.004 0.000 0.951 334 R CB -0.285 30.014 30.300 -0.001 0.000 0.851 334 R HN 0.387 nan 8.270 nan 0.000 0.434 335 K N 0.000 120.403 120.400 0.004 0.000 2.148 335 K HA -0.056 4.265 4.320 0.001 0.000 0.204 335 K C 2.055 178.658 176.600 0.006 0.000 1.050 335 K CA 1.218 57.507 56.287 0.004 0.000 0.942 335 K CB -0.057 32.445 32.500 0.003 0.000 0.724 335 K HN 0.150 nan 8.250 nan 0.000 0.446 336 A N 1.013 123.837 122.820 0.006 0.000 2.015 336 A HA -0.054 4.267 4.320 0.001 0.000 0.219 336 A C 1.826 179.415 177.584 0.008 0.000 1.163 336 A CA 1.075 53.116 52.037 0.007 0.000 0.646 336 A CB -0.277 18.728 19.000 0.007 0.000 0.806 336 A HN 0.172 nan 8.150 nan 0.000 0.448 337 L N -1.064 120.165 121.223 0.010 0.000 2.607 337 L HA 0.151 4.492 4.340 0.001 0.000 0.228 337 L C 0.595 177.473 176.870 0.013 0.000 1.123 337 L CA -0.273 54.575 54.840 0.012 0.000 0.890 337 L CB -0.106 41.962 42.059 0.016 0.000 1.103 337 L HN 0.124 nan 8.230 nan 0.000 0.468 338 K N 0.950 121.356 120.400 0.010 0.000 2.472 338 K HA 0.190 4.510 4.320 0.001 0.000 0.280 338 K C 1.217 177.823 176.600 0.011 0.000 1.028 338 K CA 1.132 57.425 56.287 0.010 0.000 1.045 338 K CB 0.217 32.722 32.500 0.008 0.000 0.902 338 K HN 0.222 nan 8.250 nan 0.000 0.478 339 G N 1.985 110.792 108.800 0.013 0.000 2.179 339 G HA2 -0.302 3.659 3.960 0.001 0.000 0.260 339 G HA3 -0.302 3.659 3.960 0.001 0.000 0.260 339 G C 0.217 175.125 174.900 0.014 0.000 0.977 339 G CA 0.117 45.225 45.100 0.013 0.000 0.641 339 G HN 0.898 nan 8.290 nan 0.000 0.533 340 A N 0.496 123.325 122.820 0.016 0.000 2.332 340 A HA 0.713 5.034 4.320 0.001 0.000 0.258 340 A C -1.016 176.581 177.584 0.022 0.000 1.087 340 A CA -0.482 51.565 52.037 0.017 0.000 0.802 340 A CB 0.015 19.025 19.000 0.017 0.000 1.042 340 A HN 0.253 nan 8.150 nan 0.000 0.489 341 P HA 0.188 nan 4.420 nan 0.000 0.269 341 P C -0.273 177.049 177.300 0.038 0.000 1.215 341 P CA -0.068 63.049 63.100 0.028 0.000 0.780 341 P CB 0.408 32.124 31.700 0.026 0.000 0.898 342 K N 0.783 121.210 120.400 0.045 0.000 2.118 342 K HA 0.494 4.815 4.320 0.001 0.000 0.240 342 K C 0.365 177.010 176.600 0.075 0.000 1.035 342 K CA -0.672 55.651 56.287 0.061 0.000 0.899 342 K CB 0.307 32.845 32.500 0.063 0.000 1.085 342 K HN 0.539 nan 8.250 nan 0.000 0.498 343 A N 1.347 124.229 122.820 0.104 0.000 2.507 343 A HA -0.063 4.258 4.320 0.001 0.000 0.235 343 A C 0.033 177.705 177.584 0.148 0.000 1.070 343 A CA -0.123 52.000 52.037 0.143 0.000 0.768 343 A CB 0.020 19.155 19.000 0.225 0.000 1.011 343 A HN 0.731 nan 8.150 nan 0.000 0.502 344 D N 1.211 121.708 120.400 0.162 0.000 2.531 344 D HA 0.203 4.844 4.640 0.001 0.000 0.239 344 D C 1.235 177.643 176.300 0.179 0.000 1.144 344 D CA 0.962 55.053 54.000 0.152 0.000 0.869 344 D CB 0.873 41.762 40.800 0.148 0.000 1.160 344 D HN 0.536 nan 8.370 nan 0.000 0.484 345 A N 3.980 126.871 122.820 0.117 0.000 2.067 345 A HA -0.163 4.158 4.320 0.001 0.000 0.219 345 A C 1.810 179.449 177.584 0.091 0.000 1.158 345 A CA 1.530 53.621 52.037 0.089 0.000 0.661 345 A CB -0.413 18.622 19.000 0.059 0.000 0.801 345 A HN 0.790 nan 8.150 nan 0.000 0.452 346 E N -1.475 118.798 120.200 0.122 0.000 2.299 346 E HA -0.144 4.207 4.350 0.001 0.000 0.193 346 E C 1.882 178.601 176.600 0.198 0.000 0.998 346 E CA 0.407 56.882 56.400 0.125 0.000 0.851 346 E CB -0.449 29.320 29.700 0.114 0.000 0.795 346 E HN 0.823 nan 8.360 nan 0.000 0.492 347 W N 2.850 124.176 121.300 0.043 0.000 2.408 347 W HA -0.159 4.502 4.660 0.001 0.000 0.311 347 W C 1.995 178.551 176.519 0.061 0.000 1.190 347 W CA 2.231 59.610 57.345 0.056 0.000 1.321 347 W CB -0.190 29.295 29.460 0.042 0.000 1.143 347 W HN 0.224 nan 8.180 nan 0.000 0.501 348 T N -1.958 112.569 114.554 -0.044 0.000 2.951 348 T HA -0.003 4.347 4.350 0.001 0.000 0.268 348 T C 1.901 176.518 174.700 -0.139 0.000 1.073 348 T CA 1.442 63.439 62.100 -0.172 0.000 1.134 348 T CB -0.847 68.018 68.868 -0.006 0.000 0.884 348 T HN 0.131 nan 8.240 nan 0.000 0.479 349 G N 1.031 109.794 108.800 -0.062 0.000 2.396 349 G HA2 0.202 4.163 3.960 0.001 0.000 0.214 349 G HA3 0.202 4.163 3.960 0.001 0.000 0.214 349 G C 1.906 176.753 174.900 -0.087 0.000 1.166 349 G CA 0.572 45.639 45.100 -0.055 0.000 0.793 349 G HN 0.687 nan 8.290 nan 0.000 0.533 350 A N 0.761 123.533 122.820 -0.080 0.000 1.908 350 A HA 0.058 4.379 4.320 0.001 0.000 0.218 350 A C 2.412 179.882 177.584 -0.191 0.000 1.181 350 A CA 1.281 53.264 52.037 -0.090 0.000 0.627 350 A CB -0.431 18.588 19.000 0.032 0.000 0.818 350 A HN 0.346 nan 8.150 nan 0.000 0.445 351 L N -1.111 119.936 121.223 -0.292 0.000 2.093 351 L HA -0.148 4.193 4.340 0.001 0.000 0.208 351 L C 2.583 179.319 176.870 -0.223 0.000 1.085 351 L CA 1.686 56.340 54.840 -0.310 0.000 0.755 351 L CB -0.383 41.385 42.059 -0.485 0.000 0.904 351 L HN 0.360 nan 8.230 nan 0.000 0.435 352 K N 0.904 121.192 120.400 -0.187 0.000 2.057 352 K HA -0.110 4.211 4.320 0.001 0.000 0.206 352 K C 2.042 178.569 176.600 -0.122 0.000 1.050 352 K CA 1.533 57.739 56.287 -0.134 0.000 0.935 352 K CB -0.306 32.133 32.500 -0.101 0.000 0.715 352 K HN 0.192 nan 8.250 nan 0.000 0.439 353 A N 0.631 123.376 122.820 -0.125 0.000 1.902 353 A HA -0.180 4.141 4.320 0.001 0.000 0.217 353 A C 2.040 179.539 177.584 -0.140 0.000 1.181 353 A CA 2.027 53.994 52.037 -0.117 0.000 0.623 353 A CB -0.526 18.407 19.000 -0.111 0.000 0.818 353 A HN 0.314 nan 8.150 nan 0.000 0.443 354 K N -0.543 119.744 120.400 -0.188 0.000 2.057 354 K HA -0.061 4.259 4.320 0.001 0.000 0.207 354 K C 1.804 178.313 176.600 -0.152 0.000 1.049 354 K CA 1.430 57.592 56.287 -0.209 0.000 0.931 354 K CB -0.453 31.871 32.500 -0.293 0.000 0.714 354 K HN 0.268 nan 8.250 nan 0.000 0.440 355 V N 1.564 121.395 119.914 -0.139 0.000 2.343 355 V HA -0.260 3.860 4.120 0.001 0.000 0.247 355 V C 1.387 177.427 176.094 -0.091 0.000 1.051 355 V CA 2.041 64.273 62.300 -0.114 0.000 1.036 355 V CB -0.464 31.288 31.823 -0.118 0.000 0.654 355 V HN 0.324 nan 8.190 nan 0.000 0.451 356 D N 0.710 121.057 120.400 -0.087 0.000 2.117 356 D HA -0.080 4.561 4.640 0.001 0.000 0.198 356 D C 2.215 178.476 176.300 -0.065 0.000 0.982 356 D CA 1.546 55.504 54.000 -0.069 0.000 0.828 356 D CB -0.639 40.122 40.800 -0.065 0.000 0.967 356 D HN 0.455 nan 8.370 nan 0.000 0.464 357 G N 0.516 109.269 108.800 -0.077 0.000 2.422 357 G HA2 -0.229 3.732 3.960 0.001 0.000 0.218 357 G HA3 -0.229 3.732 3.960 0.001 0.000 0.218 357 G C 1.620 176.480 174.900 -0.066 0.000 1.140 357 G CA 0.404 45.461 45.100 -0.072 0.000 0.775 357 G HN 0.156 nan 8.290 nan 0.000 0.545 358 N N 0.604 119.260 118.700 -0.073 0.000 2.250 358 N HA 0.006 4.747 4.740 0.001 0.000 0.181 358 N C 2.060 177.540 175.510 -0.048 0.000 1.017 358 N CA 0.682 53.694 53.050 -0.063 0.000 0.866 358 N CB -0.206 38.238 38.487 -0.071 0.000 0.985 358 N HN 0.303 nan 8.380 nan 0.000 0.429 359 K N 0.699 121.070 120.400 -0.049 0.000 2.148 359 K HA 0.077 4.397 4.320 0.001 0.000 0.204 359 K C 1.919 178.501 176.600 -0.030 0.000 1.050 359 K CA 0.954 57.218 56.287 -0.037 0.000 0.942 359 K CB -0.030 32.447 32.500 -0.038 0.000 0.724 359 K HN 0.115 nan 8.250 nan 0.000 0.446 360 A N 1.748 124.548 122.820 -0.034 0.000 1.930 360 A HA -0.183 4.138 4.320 0.001 0.000 0.217 360 A C 1.822 179.392 177.584 -0.024 0.000 1.175 360 A CA 1.438 53.458 52.037 -0.028 0.000 0.627 360 A CB -0.202 18.778 19.000 -0.032 0.000 0.815 360 A HN 0.172 nan 8.150 nan 0.000 0.443 361 K N -1.024 119.360 120.400 -0.027 0.000 2.103 361 K HA -0.027 4.294 4.320 0.001 0.000 0.204 361 K C 1.848 178.439 176.600 -0.015 0.000 1.052 361 K CA 1.160 57.433 56.287 -0.022 0.000 0.945 361 K CB -0.246 32.238 32.500 -0.027 0.000 0.722 361 K HN 0.387 nan 8.250 nan 0.000 0.443 362 L N 0.871 122.084 121.223 -0.015 0.000 2.109 362 L HA -0.006 4.335 4.340 0.001 0.000 0.207 362 L C 2.130 178.999 176.870 -0.002 0.000 1.086 362 L CA 1.396 56.232 54.840 -0.007 0.000 0.760 362 L CB -0.469 41.584 42.059 -0.009 0.000 0.910 362 L HN 0.073 nan 8.230 nan 0.000 0.437 363 A N -0.513 122.303 122.820 -0.006 0.000 1.972 363 A HA -0.064 4.257 4.320 0.001 0.000 0.219 363 A C 2.313 179.895 177.584 -0.002 0.000 1.169 363 A CA 1.412 53.447 52.037 -0.003 0.000 0.635 363 A CB -1.488 17.508 19.000 -0.007 0.000 0.810 363 A HN 0.510 nan 8.150 nan 0.000 0.446 364 G N -0.345 108.452 108.800 -0.004 0.000 2.422 364 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 364 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 364 G C 1.672 176.573 174.900 0.001 0.000 1.146 364 G CA 1.079 46.177 45.100 -0.003 0.000 0.769 364 G HN 0.587 nan 8.290 nan 0.000 0.547 365 K N -0.403 119.999 120.400 0.004 0.000 2.116 365 K HA 0.180 4.501 4.320 0.001 0.000 0.203 365 K C 2.562 179.170 176.600 0.014 0.000 1.052 365 K CA 0.692 56.985 56.287 0.011 0.000 0.952 365 K CB -0.153 32.356 32.500 0.015 0.000 0.729 365 K HN 0.263 nan 8.250 nan 0.000 0.446 366 M N 0.588 120.196 119.600 0.013 0.000 2.296 366 M HA -0.096 4.384 4.480 0.001 0.000 0.265 366 M C 1.940 178.245 176.300 0.009 0.000 1.064 366 M CA 1.486 56.795 55.300 0.014 0.000 1.109 366 M CB -0.311 32.298 32.600 0.015 0.000 1.396 366 M HN 0.212 nan 8.290 nan 0.000 0.430 367 T N -2.309 112.249 114.554 0.006 0.000 3.086 367 T HA 0.439 4.790 4.350 0.001 0.000 0.250 367 T C 0.718 175.419 174.700 0.003 0.000 1.074 367 T CA -0.045 62.058 62.100 0.004 0.000 0.988 367 T CB -0.148 68.722 68.868 0.002 0.000 0.988 367 T HN 0.216 nan 8.240 nan 0.000 0.530 368 A N 1.076 123.898 122.820 0.004 0.000 2.386 368 A HA 0.528 4.848 4.320 0.001 0.000 0.246 368 A C 0.125 177.710 177.584 0.001 0.000 1.089 368 A CA -0.418 51.621 52.037 0.003 0.000 0.790 368 A CB 0.114 19.117 19.000 0.006 0.000 1.042 368 A HN 0.556 nan 8.150 nan 0.000 0.497 369 E N -0.655 119.545 120.200 0.000 0.000 2.191 369 E HA 0.576 4.926 4.350 0.001 0.000 0.274 369 E C -0.319 176.279 176.600 -0.003 0.000 0.948 369 E CA -0.169 56.230 56.400 -0.002 0.000 0.802 369 E CB 1.357 31.055 29.700 -0.002 0.000 1.137 369 E HN 0.805 nan 8.360 nan 0.000 0.397 370 T N 1.029 115.579 114.554 -0.006 0.000 2.896 370 T HA 0.658 5.009 4.350 0.001 0.000 0.297 370 T C -2.473 172.222 174.700 -0.009 0.000 1.108 370 T CA -1.874 60.222 62.100 -0.008 0.000 1.004 370 T CB 1.163 70.023 68.868 -0.013 0.000 1.159 370 T HN 0.188 nan 8.240 nan 0.000 0.499 371 P HA 0.337 nan 4.420 nan 0.000 0.272 371 P C -0.168 177.125 177.300 -0.011 0.000 1.240 371 P CA -0.513 62.583 63.100 -0.008 0.000 0.791 371 P CB 0.267 31.964 31.700 -0.006 0.000 0.978 372 S N 0.239 115.933 115.700 -0.009 0.000 2.537 372 S HA 0.345 4.816 4.470 0.001 0.000 0.286 372 S C 1.347 175.940 174.600 -0.013 0.000 1.299 372 S CA 0.772 58.966 58.200 -0.011 0.000 1.067 372 S CB -1.296 61.900 63.200 -0.007 0.000 0.864 372 S HN 0.903 nan 8.310 nan 0.000 0.494 373 G N 4.348 113.138 108.800 -0.017 0.000 2.162 373 G HA2 -0.172 3.788 3.960 0.001 0.000 0.260 373 G HA3 -0.172 3.788 3.960 0.001 0.000 0.260 373 G C 0.238 175.123 174.900 -0.025 0.000 0.976 373 G CA 0.493 45.582 45.100 -0.019 0.000 0.655 373 G HN 0.662 nan 8.290 nan 0.000 0.533 374 M N 0.230 119.813 119.600 -0.029 0.000 3.404 374 M HA 0.408 4.889 4.480 0.001 0.000 0.398 374 M C 0.691 176.965 176.300 -0.043 0.000 1.599 374 M CA -0.114 55.167 55.300 -0.031 0.000 0.696 374 M CB 0.147 32.737 32.600 -0.017 0.000 1.427 374 M HN 0.237 nan 8.290 nan 0.000 0.502 375 M N 1.778 121.340 119.600 -0.065 0.000 2.232 375 M HA 0.156 4.637 4.480 0.001 0.000 0.321 375 M C 0.933 177.164 176.300 -0.115 0.000 1.101 375 M CA 0.547 55.800 55.300 -0.080 0.000 1.181 375 M CB 0.638 33.181 32.600 -0.094 0.000 1.432 375 M HN 0.438 nan 8.290 nan 0.000 0.457 376 N N -0.048 118.598 118.700 -0.090 0.000 2.671 376 N HA 0.217 4.957 4.740 0.001 0.000 0.303 376 N C -0.192 175.243 175.510 -0.125 0.000 1.277 376 N CA -0.802 52.196 53.050 -0.087 0.000 0.933 376 N CB 0.694 39.193 38.487 0.021 0.000 1.190 376 N HN 0.529 nan 8.380 nan 0.000 0.600 377 Y N -0.241 120.063 120.300 0.007 0.000 2.395 377 Y HA -0.001 4.549 4.550 0.001 0.000 0.293 377 Y C 2.680 178.582 175.900 0.003 0.000 1.123 377 Y CA 0.734 58.838 58.100 0.006 0.000 1.227 377 Y CB 0.125 38.592 38.460 0.011 0.000 1.012 377 Y HN 0.488 nan 8.280 nan 0.000 0.552 378 S N 0.486 116.266 115.700 0.134 0.000 2.345 378 S HA -0.160 4.310 4.470 0.001 0.000 0.219 378 S C 1.861 176.486 174.600 0.042 0.000 1.031 378 S CA 1.451 59.697 58.200 0.076 0.000 0.984 378 S CB -0.430 62.804 63.200 0.057 0.000 0.874 378 S HN 0.663 nan 8.310 nan 0.000 0.451 379 N N 2.025 120.738 118.700 0.022 0.000 2.354 379 N HA -0.047 4.694 4.740 0.001 0.000 0.179 379 N C 1.544 177.050 175.510 -0.007 0.000 1.021 379 N CA 1.485 54.538 53.050 0.006 0.000 0.887 379 N CB -0.823 37.663 38.487 -0.002 0.000 0.974 379 N HN 0.457 nan 8.380 nan 0.000 0.437 380 S N 1.177 116.864 115.700 -0.021 0.000 2.345 380 S HA 0.027 4.497 4.470 0.001 0.000 0.219 380 S C 2.043 176.635 174.600 -0.013 0.000 1.031 380 S CA 0.566 58.743 58.200 -0.038 0.000 0.984 380 S CB -0.925 62.223 63.200 -0.086 0.000 0.874 380 S HN 0.250 nan 8.310 nan 0.000 0.451 381 L N 1.649 122.884 121.223 0.019 0.000 2.291 381 L HA 0.134 4.474 4.340 0.001 0.000 0.214 381 L C 2.870 179.762 176.870 0.037 0.000 1.120 381 L CA 0.698 55.561 54.840 0.038 0.000 0.799 381 L CB -1.017 41.088 42.059 0.077 0.000 0.925 381 L HN 0.540 nan 8.230 nan 0.000 0.446 382 G N -0.104 108.716 108.800 0.032 0.000 2.450 382 G HA2 -0.195 3.765 3.960 0.001 0.000 0.220 382 G HA3 -0.195 3.765 3.960 0.001 0.000 0.220 382 G C 1.548 176.468 174.900 0.034 0.000 1.130 382 G CA 0.943 46.061 45.100 0.030 0.000 0.760 382 G HN 0.217 nan 8.290 nan 0.000 0.557 383 V N 0.466 120.394 119.914 0.024 0.000 2.307 383 V HA -0.146 3.975 4.120 0.001 0.000 0.245 383 V C 2.988 179.117 176.094 0.058 0.000 1.045 383 V CA 1.397 63.715 62.300 0.029 0.000 1.024 383 V CB -0.377 31.442 31.823 -0.007 0.000 0.651 383 V HN 0.252 nan 8.190 nan 0.000 0.449 384 V N 0.442 120.377 119.914 0.036 0.000 2.407 384 V HA -0.275 3.846 4.120 0.001 0.000 0.248 384 V C 2.567 178.730 176.094 0.116 0.000 1.055 384 V CA 2.401 64.736 62.300 0.059 0.000 1.049 384 V CB -0.872 30.967 31.823 0.027 0.000 0.662 384 V HN 0.546 nan 8.190 nan 0.000 0.455 385 R N 0.463 121.013 120.500 0.082 0.000 2.088 385 R HA -0.222 4.119 4.340 0.001 0.000 0.232 385 R C 2.084 178.435 176.300 0.084 0.000 1.136 385 R CA 2.433 58.578 56.100 0.075 0.000 0.926 385 R CB -0.587 29.743 30.300 0.050 0.000 0.837 385 R HN 0.458 nan 8.270 nan 0.000 0.429 386 D N -0.124 120.325 120.400 0.081 0.000 2.133 386 D HA -0.206 4.435 4.640 0.001 0.000 0.195 386 D C 1.643 177.994 176.300 0.086 0.000 0.997 386 D CA 1.283 55.324 54.000 0.069 0.000 0.840 386 D CB -0.384 40.454 40.800 0.064 0.000 0.947 386 D HN 0.259 nan 8.370 nan 0.000 0.452 387 F N 0.699 120.647 119.950 -0.004 0.000 2.146 387 F HA -0.153 4.375 4.527 0.001 0.000 0.298 387 F C 2.234 178.034 175.800 0.002 0.000 1.096 387 F CA 1.047 59.044 58.000 -0.005 0.000 1.275 387 F CB -0.007 38.986 39.000 -0.012 0.000 1.008 387 F HN -0.177 nan 8.300 nan 0.000 0.480 388 M N -0.161 119.547 119.600 0.180 0.000 2.296 388 M HA -0.109 4.371 4.480 0.001 0.000 0.265 388 M C 2.178 178.475 176.300 -0.005 0.000 1.064 388 M CA 1.202 56.556 55.300 0.090 0.000 1.109 388 M CB -1.172 31.504 32.600 0.127 0.000 1.396 388 M HN 0.268 nan 8.290 nan 0.000 0.430 389 L N -0.579 120.638 121.223 -0.011 0.000 2.109 389 L HA -0.114 4.226 4.340 0.001 0.000 0.207 389 L C 2.617 179.442 176.870 -0.076 0.000 1.086 389 L CA 1.039 55.863 54.840 -0.027 0.000 0.760 389 L CB -0.757 41.296 42.059 -0.010 0.000 0.910 389 L HN 0.238 nan 8.230 nan 0.000 0.437 390 A N -0.183 122.552 122.820 -0.142 0.000 1.970 390 A HA -0.059 4.262 4.320 0.001 0.000 0.216 390 A C 0.683 178.112 177.584 -0.258 0.000 1.170 390 A CA 0.948 52.866 52.037 -0.199 0.000 0.645 390 A CB -0.328 18.524 19.000 -0.247 0.000 0.816 390 A HN 0.471 nan 8.150 nan 0.000 0.447 391 N N -0.300 118.192 118.700 -0.348 0.000 2.841 391 N HA 0.305 5.046 4.740 0.001 0.000 0.257 391 N C -2.545 172.897 175.510 -0.113 0.000 1.396 391 N CA -1.148 51.729 53.050 -0.289 0.000 0.823 391 N CB 1.609 39.776 38.487 -0.534 0.000 1.162 391 N HN 0.142 nan 8.380 nan 0.000 0.503 392 P HA -0.006 nan 4.420 nan 0.000 0.235 392 P C 0.038 177.345 177.300 0.012 0.000 1.177 392 P CA 0.707 63.802 63.100 -0.009 0.000 0.785 392 P CB 0.406 32.101 31.700 -0.008 0.000 0.885 393 D N 0.480 120.883 120.400 0.004 0.000 3.032 393 D HA 0.212 4.853 4.640 0.001 0.000 0.241 393 D C -0.221 176.100 176.300 0.035 0.000 1.196 393 D CA 0.084 54.094 54.000 0.016 0.000 0.927 393 D CB -0.943 39.861 40.800 0.007 0.000 1.129 393 D HN 0.163 nan 8.370 nan 0.000 0.458 394 I N -0.096 120.505 120.570 0.052 0.000 2.686 394 I HA 0.144 4.315 4.170 0.001 0.000 0.295 394 I C 0.097 176.259 176.117 0.075 0.000 1.114 394 I CA -0.816 60.530 61.300 0.076 0.000 1.038 394 I CB 2.251 40.325 38.000 0.122 0.000 1.238 394 I HN -0.269 nan 8.210 nan 0.000 0.420 395 S N 5.056 120.798 115.700 0.071 0.000 2.528 395 S HA 0.379 4.850 4.470 0.001 0.000 0.277 395 S C -0.488 174.161 174.600 0.081 0.000 1.297 395 S CA -0.327 57.915 58.200 0.070 0.000 1.052 395 S CB 0.757 63.993 63.200 0.060 0.000 0.917 395 S HN 0.288 nan 8.310 nan 0.000 0.492 396 L N 5.859 127.132 121.223 0.085 0.000 2.295 396 L HA 0.480 4.820 4.340 0.001 0.000 0.281 396 L C -0.756 176.171 176.870 0.095 0.000 1.018 396 L CA -0.270 54.621 54.840 0.085 0.000 0.841 396 L CB 0.898 43.007 42.059 0.083 0.000 1.218 396 L HN 0.409 nan 8.230 nan 0.000 0.424 397 V N 5.565 125.538 119.914 0.099 0.000 2.567 397 V HA 0.483 4.604 4.120 0.001 0.000 0.289 397 V C 0.039 176.182 176.094 0.082 0.000 1.049 397 V CA -0.601 61.773 62.300 0.125 0.000 0.969 397 V CB 1.537 33.446 31.823 0.144 0.000 0.995 397 V HN 0.863 nan 8.190 nan 0.000 0.471 398 N N 3.165 121.908 118.700 0.072 0.000 2.371 398 N HA 0.498 5.239 4.740 0.001 0.000 0.280 398 N C -1.662 173.855 175.510 0.010 0.000 1.084 398 N CA -0.461 52.614 53.050 0.043 0.000 0.892 398 N CB 2.437 40.956 38.487 0.053 0.000 1.653 398 N HN 0.968 nan 8.380 nan 0.000 0.480 399 E N 1.951 122.151 120.200 -0.000 0.000 2.396 399 E HA 0.648 4.999 4.350 0.001 0.000 0.280 399 E C -0.585 176.014 176.600 -0.001 0.000 1.065 399 E CA -0.968 55.416 56.400 -0.026 0.000 0.831 399 E CB 1.756 31.397 29.700 -0.099 0.000 1.272 399 E HN 0.741 nan 8.360 nan 0.000 0.443 400 G N -0.114 108.684 108.800 -0.004 0.000 2.325 400 G HA2 0.399 4.360 3.960 0.001 0.000 0.285 400 G HA3 0.399 4.360 3.960 0.001 0.000 0.285 400 G C -0.221 174.702 174.900 0.038 0.000 1.303 400 G CA 0.033 45.146 45.100 0.022 0.000 0.970 400 G HN 0.954 nan 8.290 nan 0.000 0.490 401 A N -0.723 122.138 122.820 0.068 0.000 2.686 401 A HA 0.438 4.759 4.320 0.001 0.000 0.221 401 A C 1.896 179.483 177.584 0.005 0.000 2.249 401 A CA 1.245 53.346 52.037 0.108 0.000 1.005 401 A CB -0.612 18.574 19.000 0.311 0.000 1.391 401 A HN 0.658 nan 8.150 nan 0.000 0.536 402 N N 0.744 119.405 118.700 -0.066 0.000 2.149 402 N HA -0.164 4.577 4.740 0.001 0.000 0.188 402 N C 1.792 177.068 175.510 -0.389 0.000 1.019 402 N CA 1.396 54.216 53.050 -0.383 0.000 0.857 402 N CB -0.276 37.758 38.487 -0.756 0.000 0.997 402 N HN 0.503 nan 8.380 nan 0.000 0.426 403 A N 0.854 123.625 122.820 -0.082 0.000 2.067 403 A HA -0.067 4.254 4.320 0.001 0.000 0.219 403 A C 2.142 179.753 177.584 0.045 0.000 1.158 403 A CA 0.761 52.862 52.037 0.107 0.000 0.661 403 A CB -0.235 18.867 19.000 0.170 0.000 0.801 403 A HN 0.217 nan 8.150 nan 0.000 0.452 404 L N -0.752 120.476 121.223 0.008 0.000 2.189 404 L HA 0.080 4.421 4.340 0.001 0.000 0.199 404 L C 1.575 178.445 176.870 -0.001 0.000 1.074 404 L CA 1.916 56.765 54.840 0.015 0.000 0.783 404 L CB -0.385 41.688 42.059 0.024 0.000 0.955 404 L HN 0.222 nan 8.230 nan 0.000 0.460 405 D N 0.003 120.387 120.400 -0.028 0.000 2.117 405 D HA -0.176 4.465 4.640 0.001 0.000 0.197 405 D C 1.775 178.052 176.300 -0.039 0.000 0.987 405 D CA 1.318 55.297 54.000 -0.035 0.000 0.829 405 D CB -0.330 40.438 40.800 -0.053 0.000 0.961 405 D HN 0.424 nan 8.370 nan 0.000 0.460 406 N N 0.090 118.751 118.700 -0.065 0.000 2.270 406 N HA -0.068 4.673 4.740 0.001 0.000 0.181 406 N C 1.695 177.220 175.510 0.026 0.000 1.016 406 N CA 0.922 53.957 53.050 -0.025 0.000 0.870 406 N CB -0.149 38.317 38.487 -0.034 0.000 0.979 406 N HN 0.175 nan 8.380 nan 0.000 0.431 407 T N 0.880 115.456 114.554 0.036 0.000 2.896 407 T HA -0.033 4.318 4.350 0.001 0.000 0.263 407 T C 1.952 176.674 174.700 0.036 0.000 1.050 407 T CA 0.526 62.654 62.100 0.048 0.000 1.140 407 T CB 0.160 69.062 68.868 0.056 0.000 0.877 407 T HN 0.241 nan 8.240 nan 0.000 0.457 408 R N 0.503 121.017 120.500 0.024 0.000 2.096 408 R HA 0.035 4.376 4.340 0.001 0.000 0.235 408 R C 2.428 178.735 176.300 0.012 0.000 1.127 408 R CA 1.201 57.313 56.100 0.020 0.000 0.968 408 R CB -0.246 30.060 30.300 0.010 0.000 0.861 408 R HN 0.367 nan 8.270 nan 0.000 0.440 409 M N -0.186 119.416 119.600 0.005 0.000 2.123 409 M HA -0.070 4.410 4.480 0.001 0.000 0.263 409 M C 1.770 178.075 176.300 0.007 0.000 1.069 409 M CA 1.640 56.939 55.300 -0.002 0.000 1.133 409 M CB 0.139 32.734 32.600 -0.009 0.000 1.356 409 M HN 0.171 nan 8.290 nan 0.000 0.415 410 I N -0.558 120.024 120.570 0.020 0.000 2.494 410 I HA -0.039 4.132 4.170 0.001 0.000 0.250 410 I C 0.338 176.475 176.117 0.033 0.000 1.112 410 I CA 0.018 61.334 61.300 0.027 0.000 1.438 410 I CB 0.290 38.313 38.000 0.039 0.000 1.111 410 I HN -0.077 nan 8.210 nan 0.000 0.431 411 V N 3.037 122.975 119.914 0.040 0.000 2.387 411 V HA 0.067 4.188 4.120 0.001 0.000 0.260 411 V C -0.620 175.502 176.094 0.047 0.000 1.054 411 V CA -0.247 62.083 62.300 0.049 0.000 0.967 411 V CB 0.106 31.964 31.823 0.058 0.000 1.036 411 V HN 0.127 nan 8.190 nan 0.000 0.481 412 D N 5.660 126.087 120.400 0.045 0.000 2.348 412 D HA 0.296 4.936 4.640 0.001 0.000 0.253 412 D C 0.056 176.389 176.300 0.054 0.000 1.161 412 D CA -0.080 53.947 54.000 0.046 0.000 0.876 412 D CB 1.088 41.912 40.800 0.039 0.000 1.160 412 D HN 0.239 nan 8.370 nan 0.000 0.459 413 M N 3.063 122.700 119.600 0.061 0.000 2.113 413 M HA 0.198 4.679 4.480 0.001 0.000 0.352 413 M C 0.930 177.269 176.300 0.065 0.000 1.170 413 M CA -0.256 55.082 55.300 0.064 0.000 1.053 413 M CB 1.210 33.853 32.600 0.071 0.000 1.601 413 M HN 0.308 nan 8.290 nan 0.000 0.459 414 L N 1.075 122.330 121.223 0.053 0.000 2.554 414 L HA 0.178 4.519 4.340 0.001 0.000 0.225 414 L C 0.562 177.457 176.870 0.042 0.000 1.104 414 L CA 0.544 55.414 54.840 0.050 0.000 0.866 414 L CB 0.056 42.136 42.059 0.034 0.000 1.047 414 L HN 0.631 nan 8.230 nan 0.000 0.468 415 K N 0.366 120.789 120.400 0.039 0.000 2.375 415 K HA 0.424 4.744 4.320 0.001 0.000 0.249 415 K C -2.563 174.057 176.600 0.033 0.000 0.942 415 K CA -1.862 54.442 56.287 0.028 0.000 0.806 415 K CB 2.516 35.028 32.500 0.020 0.000 1.227 415 K HN -0.297 nan 8.250 nan 0.000 0.430 416 P HA 0.180 nan 4.420 nan 0.000 0.277 416 P C -1.013 176.299 177.300 0.019 0.000 1.240 416 P CA -0.156 62.956 63.100 0.020 0.000 0.798 416 P CB 0.789 32.481 31.700 -0.012 0.000 0.979 417 R N -0.212 120.324 120.500 0.059 0.000 3.758 417 R HA -0.154 4.187 4.340 0.001 0.000 0.299 417 R C 0.877 177.238 176.300 0.102 0.000 1.182 417 R CA 0.614 56.767 56.100 0.087 0.000 0.809 417 R CB -1.265 28.964 30.300 -0.118 0.000 1.249 417 R HN 0.497 nan 8.270 nan 0.000 0.497 418 K N 0.412 120.869 120.400 0.095 0.000 2.287 418 K HA 0.071 4.392 4.320 0.001 0.000 0.199 418 K C 0.942 177.597 176.600 0.092 0.000 1.061 418 K CA 0.249 56.584 56.287 0.079 0.000 0.976 418 K CB 0.190 32.728 32.500 0.063 0.000 0.898 418 K HN 0.219 nan 8.250 nan 0.000 0.492 419 R N 1.685 122.247 120.500 0.103 0.000 2.267 419 R HA 0.237 4.578 4.340 0.001 0.000 0.319 419 R C -0.865 175.490 176.300 0.091 0.000 1.067 419 R CA 0.018 56.176 56.100 0.096 0.000 0.936 419 R CB 0.115 30.468 30.300 0.087 0.000 1.006 419 R HN -0.054 nan 8.270 nan 0.000 0.452 420 L N 5.609 126.892 121.223 0.101 0.000 2.406 420 L HA 0.391 4.732 4.340 0.001 0.000 0.270 420 L C -0.893 176.128 176.870 0.251 0.000 0.982 420 L CA -0.875 54.036 54.840 0.119 0.000 0.843 420 L CB 1.506 43.614 42.059 0.082 0.000 1.225 420 L HN 0.795 nan 8.230 nan 0.000 0.412 421 D N 0.154 120.692 120.400 0.230 0.000 2.801 421 D HA 0.313 4.954 4.640 0.001 0.000 0.277 421 D C 0.670 177.053 176.300 0.138 0.000 1.125 421 D CA -0.616 53.474 54.000 0.150 0.000 1.102 421 D CB 0.795 41.646 40.800 0.084 0.000 1.400 421 D HN 0.092 nan 8.370 nan 0.000 0.601 422 S N -1.153 114.575 115.700 0.046 0.000 2.399 422 S HA 0.296 4.767 4.470 0.001 0.000 0.231 422 S C 1.309 175.994 174.600 0.142 0.000 1.022 422 S CA 1.139 59.349 58.200 0.017 0.000 0.983 422 S CB -1.046 62.158 63.200 0.007 0.000 0.803 422 S HN 1.023 nan 8.310 nan 0.000 0.480 423 G N 0.502 109.389 108.800 0.146 0.000 2.632 423 G HA2 -0.274 3.687 3.960 0.001 0.000 0.224 423 G HA3 -0.274 3.687 3.960 0.001 0.000 0.224 423 G C 0.592 175.584 174.900 0.154 0.000 1.341 423 G CA 0.031 45.198 45.100 0.113 0.000 0.880 423 G HN 0.176 nan 8.290 nan 0.000 0.566 424 T N -0.257 114.333 114.554 0.060 0.000 2.803 424 T HA -0.094 4.257 4.350 0.001 0.000 0.269 424 T C 1.636 176.624 174.700 0.480 0.000 1.052 424 T CA 2.386 64.599 62.100 0.188 0.000 1.136 424 T CB -0.139 68.691 68.868 -0.063 0.000 0.864 424 T HN 0.422 nan 8.240 nan 0.000 0.467 425 W N 0.974 122.367 121.300 0.154 0.000 3.256 425 W HA 0.436 5.097 4.660 0.001 0.000 0.269 425 W C 1.533 178.064 176.519 0.021 0.000 1.310 425 W CA -0.383 56.999 57.345 0.062 0.000 1.673 425 W CB -0.889 28.593 29.460 0.037 0.000 1.115 425 W HN 0.386 nan 8.180 nan 0.000 0.686 426 G N 1.680 110.674 108.800 0.323 0.000 2.350 426 G HA2 -0.251 3.709 3.960 0.001 0.000 0.298 426 G HA3 -0.251 3.709 3.960 0.001 0.000 0.298 426 G C -0.121 174.791 174.900 0.019 0.000 1.037 426 G CA 0.116 45.318 45.100 0.170 0.000 1.074 426 G HN -0.024 nan 8.290 nan 0.000 0.511 427 V N 2.425 122.345 119.914 0.010 0.000 2.508 427 V HA 0.321 4.442 4.120 0.001 0.000 0.281 427 V C 0.964 176.860 176.094 -0.330 0.000 1.041 427 V CA -0.157 62.040 62.300 -0.171 0.000 1.016 427 V CB 1.171 32.858 31.823 -0.227 0.000 0.984 427 V HN 0.449 nan 8.190 nan 0.000 0.478 428 M N 4.469 123.778 119.600 -0.485 0.000 2.120 428 M HA 0.486 4.966 4.480 0.001 0.000 0.354 428 M C 1.032 176.911 176.300 -0.701 0.000 1.287 428 M CA 0.175 55.086 55.300 -0.648 0.000 1.103 428 M CB 0.082 32.071 32.600 -1.018 0.000 1.623 428 M HN 0.949 nan 8.290 nan 0.000 0.471 429 G N 3.017 111.570 108.800 -0.411 0.000 2.672 429 G HA2 -0.168 3.793 3.960 0.001 0.000 0.197 429 G HA3 -0.168 3.793 3.960 0.001 0.000 0.197 429 G C 0.388 175.073 174.900 -0.358 0.000 0.995 429 G CA 0.134 45.125 45.100 -0.181 0.000 0.754 429 G HN 0.655 nan 8.290 nan 0.000 0.505 430 I N 0.871 120.980 120.570 -0.768 0.000 2.928 430 I HA 0.412 4.582 4.170 0.001 0.000 0.266 430 I C 2.207 177.900 176.117 -0.706 0.000 1.234 430 I CA 1.212 61.835 61.300 -1.129 0.000 1.483 430 I CB -1.040 35.959 38.000 -1.668 0.000 1.097 430 I HN 0.117 nan 8.210 nan 0.000 0.455 431 G N 1.570 110.147 108.800 -0.372 0.000 2.545 431 G HA2 -0.200 3.761 3.960 0.001 0.000 0.217 431 G HA3 -0.200 3.761 3.960 0.001 0.000 0.217 431 G C 1.443 176.335 174.900 -0.014 0.000 1.218 431 G CA 1.406 46.416 45.100 -0.151 0.000 0.787 431 G HN 0.317 nan 8.290 nan 0.000 0.571 432 M N 1.138 120.728 119.600 -0.016 0.000 2.254 432 M HA 0.084 4.564 4.480 0.001 0.000 0.265 432 M C 2.814 179.211 176.300 0.162 0.000 1.066 432 M CA 1.036 56.369 55.300 0.056 0.000 1.123 432 M CB -1.656 30.929 32.600 -0.026 0.000 1.388 432 M HN 0.289 nan 8.290 nan 0.000 0.425 433 G N -0.559 108.369 108.800 0.213 0.000 2.421 433 G HA2 -0.235 3.726 3.960 0.001 0.000 0.216 433 G HA3 -0.235 3.726 3.960 0.001 0.000 0.216 433 G C 1.352 176.431 174.900 0.298 0.000 1.171 433 G CA 0.523 45.823 45.100 0.334 0.000 0.775 433 G HN 0.270 nan 8.290 nan 0.000 0.543 434 Y N 0.731 121.057 120.300 0.043 0.000 2.165 434 Y HA -0.149 4.402 4.550 0.001 0.000 0.286 434 Y C 3.207 179.112 175.900 0.009 0.000 1.155 434 Y CA 0.149 58.251 58.100 0.004 0.000 1.164 434 Y CB -1.178 37.281 38.460 -0.001 0.000 0.978 434 Y HN 0.222 nan 8.280 nan 0.000 0.513 435 C N -1.081 118.342 119.300 0.205 0.000 2.398 435 C HA -0.171 4.290 4.460 0.001 0.000 0.276 435 C C 2.891 177.926 174.990 0.075 0.000 1.222 435 C CA 1.121 60.213 59.018 0.123 0.000 1.746 435 C CB -1.281 26.527 27.740 0.114 0.000 2.039 435 C HN 0.347 nan 8.230 nan 0.000 0.470 436 V N 1.203 121.164 119.914 0.079 0.000 2.307 436 V HA -0.190 3.930 4.120 0.001 0.000 0.245 436 V C 2.693 178.736 176.094 -0.085 0.000 1.045 436 V CA 2.249 64.540 62.300 -0.014 0.000 1.024 436 V CB -1.338 30.494 31.823 0.016 0.000 0.651 436 V HN 0.606 nan 8.190 nan 0.000 0.449 437 A N 0.083 122.856 122.820 -0.078 0.000 1.877 437 A HA -0.120 4.200 4.320 0.001 0.000 0.216 437 A C 2.458 180.020 177.584 -0.037 0.000 1.186 437 A CA 2.183 54.144 52.037 -0.128 0.000 0.620 437 A CB -0.946 17.860 19.000 -0.323 0.000 0.822 437 A HN 0.571 nan 8.150 nan 0.000 0.443 438 A N -0.017 122.785 122.820 -0.031 0.000 1.873 438 A HA 0.039 4.360 4.320 0.001 0.000 0.218 438 A C 2.551 180.145 177.584 0.017 0.000 1.193 438 A CA 2.639 54.674 52.037 -0.004 0.000 0.629 438 A CB -1.202 17.809 19.000 0.018 0.000 0.826 438 A HN 1.166 nan 8.150 nan 0.000 0.447 439 A N -0.368 122.463 122.820 0.018 0.000 1.877 439 A HA 0.135 4.456 4.320 0.001 0.000 0.216 439 A C 2.546 180.151 177.584 0.036 0.000 1.186 439 A CA 2.359 54.415 52.037 0.032 0.000 0.620 439 A CB -1.120 17.901 19.000 0.034 0.000 0.822 439 A HN 1.151 nan 8.150 nan 0.000 0.443 440 A N -0.173 122.647 122.820 0.000 0.000 1.877 440 A HA -0.037 4.284 4.320 0.001 0.000 0.216 440 A C 2.326 179.968 177.584 0.097 0.000 1.186 440 A CA 2.492 54.560 52.037 0.050 0.000 0.620 440 A CB -1.207 17.766 19.000 -0.044 0.000 0.822 440 A HN 1.199 nan 8.150 nan 0.000 0.443 441 V N -2.249 117.714 119.914 0.082 0.000 2.788 441 V HA -0.059 4.062 4.120 0.001 0.000 0.251 441 V C 2.193 178.315 176.094 0.046 0.000 1.068 441 V CA 2.210 64.555 62.300 0.074 0.000 1.090 441 V CB -1.287 30.576 31.823 0.066 0.000 0.710 441 V HN 0.667 nan 8.190 nan 0.000 0.467 442 T N -2.961 111.616 114.554 0.039 0.000 3.031 442 T HA 0.326 4.677 4.350 0.001 0.000 0.254 442 T C 1.847 176.570 174.700 0.038 0.000 1.060 442 T CA 0.999 63.117 62.100 0.030 0.000 1.135 442 T CB -0.109 68.775 68.868 0.026 0.000 0.896 442 T HN 1.613 nan 8.240 nan 0.000 0.472 443 G N 1.590 110.420 108.800 0.051 0.000 2.179 443 G HA2 -0.237 3.723 3.960 0.001 0.000 0.257 443 G HA3 -0.237 3.723 3.960 0.001 0.000 0.257 443 G C -0.103 174.828 174.900 0.052 0.000 1.010 443 G CA 0.589 45.723 45.100 0.056 0.000 0.736 443 G HN 0.744 nan 8.290 nan 0.000 0.513 444 K N -0.491 119.940 120.400 0.051 0.000 2.466 444 K HA 0.571 4.892 4.320 0.001 0.000 0.260 444 K C -2.773 173.863 176.600 0.061 0.000 1.011 444 K CA -2.316 54.002 56.287 0.052 0.000 0.871 444 K CB 2.094 34.620 32.500 0.043 0.000 1.404 444 K HN -0.070 nan 8.250 nan 0.000 0.450 445 P HA 0.098 nan 4.420 nan 0.000 0.270 445 P C -1.123 176.224 177.300 0.077 0.000 1.223 445 P CA -0.426 62.721 63.100 0.079 0.000 0.785 445 P CB 0.556 32.315 31.700 0.098 0.000 0.923 446 V N 2.946 122.904 119.914 0.074 0.000 2.656 446 V HA 0.441 4.562 4.120 0.001 0.000 0.307 446 V C 0.063 176.195 176.094 0.062 0.000 1.051 446 V CA -0.495 61.848 62.300 0.072 0.000 0.893 446 V CB 1.790 33.655 31.823 0.070 0.000 0.999 446 V HN 0.358 nan 8.190 nan 0.000 0.426 447 I N 3.179 123.785 120.570 0.061 0.000 2.474 447 I HA 0.782 4.952 4.170 0.001 0.000 0.294 447 I C 0.154 176.296 176.117 0.042 0.000 1.005 447 I CA -0.647 60.672 61.300 0.032 0.000 1.113 447 I CB 2.005 40.014 38.000 0.015 0.000 1.289 447 I HN 0.697 nan 8.210 nan 0.000 0.436 448 A N 6.138 128.975 122.820 0.028 0.000 2.304 448 A HA 0.694 5.015 4.320 0.001 0.000 0.314 448 A C -0.713 176.876 177.584 0.008 0.000 1.187 448 A CA -0.495 51.564 52.037 0.037 0.000 0.810 448 A CB 1.113 20.148 19.000 0.057 0.000 1.183 448 A HN 0.446 nan 8.150 nan 0.000 0.487 449 V N 4.206 124.130 119.914 0.018 0.000 2.318 449 V HA 0.286 4.406 4.120 0.001 0.000 0.271 449 V C -0.317 175.787 176.094 0.017 0.000 1.030 449 V CA -0.309 61.996 62.300 0.008 0.000 0.844 449 V CB 0.702 32.541 31.823 0.026 0.000 1.015 449 V HN 0.846 nan 8.190 nan 0.000 0.460 450 E N 3.354 123.551 120.200 -0.006 0.000 2.171 450 E HA 0.444 4.795 4.350 0.001 0.000 0.271 450 E C 0.444 177.049 176.600 0.008 0.000 0.916 450 E CA -0.326 56.084 56.400 0.016 0.000 0.774 450 E CB 2.374 32.096 29.700 0.038 0.000 1.128 450 E HN 0.707 nan 8.360 nan 0.000 0.403 451 G N 1.993 110.822 108.800 0.049 0.000 2.554 451 G HA2 -0.026 3.935 3.960 0.001 0.000 0.238 451 G HA3 -0.026 3.935 3.960 0.001 0.000 0.238 451 G C 0.738 175.664 174.900 0.044 0.000 1.259 451 G CA -0.271 44.867 45.100 0.063 0.000 0.843 451 G HN 0.504 nan 8.290 nan 0.000 0.582 452 D N 0.303 120.711 120.400 0.015 0.000 2.149 452 D HA -0.148 4.492 4.640 0.001 0.000 0.201 452 D C 2.168 178.531 176.300 0.106 0.000 0.972 452 D CA 1.235 55.221 54.000 -0.022 0.000 0.835 452 D CB -0.526 40.242 40.800 -0.053 0.000 0.966 452 D HN 0.343 nan 8.370 nan 0.000 0.476 453 S N 0.527 116.288 115.700 0.101 0.000 2.348 453 S HA -0.099 4.372 4.470 0.001 0.000 0.221 453 S C 2.214 176.973 174.600 0.266 0.000 1.033 453 S CA 1.839 60.117 58.200 0.130 0.000 1.010 453 S CB -0.647 62.605 63.200 0.086 0.000 0.891 453 S HN 0.404 nan 8.310 nan 0.000 0.442 454 A N 1.200 124.156 122.820 0.226 0.000 1.881 454 A HA -0.179 4.142 4.320 0.001 0.000 0.219 454 A C 2.050 179.791 177.584 0.261 0.000 1.215 454 A CA 2.200 54.365 52.037 0.214 0.000 0.648 454 A CB -1.504 17.538 19.000 0.069 0.000 0.832 454 A HN 0.745 nan 8.150 nan 0.000 0.455 455 F N 1.277 121.248 119.950 0.035 0.000 2.154 455 F HA -0.084 4.444 4.527 0.001 0.000 0.301 455 F C 2.205 178.015 175.800 0.017 0.000 1.087 455 F CA 1.629 59.614 58.000 -0.025 0.000 1.274 455 F CB -0.684 38.226 39.000 -0.151 0.000 1.009 455 F HN 0.182 nan 8.300 nan 0.000 0.485 456 G N -0.915 107.844 108.800 -0.069 0.000 2.498 456 G HA2 -0.252 3.709 3.960 0.001 0.000 0.219 456 G HA3 -0.252 3.709 3.960 0.001 0.000 0.219 456 G C 1.427 176.158 174.900 -0.281 0.000 1.119 456 G CA 0.593 45.568 45.100 -0.210 0.000 0.766 456 G HN 0.435 nan 8.290 nan 0.000 0.552 457 F N 1.265 121.107 119.950 -0.181 0.000 2.407 457 F HA 0.066 4.594 4.527 0.001 0.000 0.299 457 F C 2.422 178.131 175.800 -0.152 0.000 1.097 457 F CA 1.304 59.234 58.000 -0.116 0.000 1.422 457 F CB 0.432 39.388 39.000 -0.074 0.000 1.067 457 F HN 0.242 nan 8.300 nan 0.000 0.539 458 S N -1.930 113.619 115.700 -0.252 0.000 2.960 458 S HA 0.266 4.737 4.470 0.001 0.000 0.256 458 S C 1.657 175.882 174.600 -0.626 0.000 1.017 458 S CA 0.121 57.912 58.200 -0.682 0.000 1.144 458 S CB -0.240 62.504 63.200 -0.760 0.000 1.109 458 S HN 0.184 nan 8.310 nan 0.000 0.638 459 G N 1.971 110.315 108.800 -0.760 0.000 2.471 459 G HA2 -0.114 3.847 3.960 0.001 0.000 0.219 459 G HA3 -0.114 3.847 3.960 0.001 0.000 0.219 459 G C 1.148 175.847 174.900 -0.334 0.000 1.125 459 G CA 1.010 45.462 45.100 -1.080 0.000 0.775 459 G HN 0.495 nan 8.290 nan 0.000 0.548 460 M N 0.837 120.308 119.600 -0.215 0.000 2.460 460 M HA 0.091 4.572 4.480 0.001 0.000 0.263 460 M C 1.759 177.988 176.300 -0.118 0.000 1.071 460 M CA 0.747 55.992 55.300 -0.091 0.000 1.096 460 M CB -0.109 32.469 32.600 -0.037 0.000 1.408 460 M HN 0.037 nan 8.290 nan 0.000 0.463 461 E N -0.141 119.988 120.200 -0.118 0.000 2.516 461 E HA -0.056 4.295 4.350 0.001 0.000 0.199 461 E C 1.779 178.357 176.600 -0.037 0.000 1.069 461 E CA 0.259 56.624 56.400 -0.058 0.000 0.876 461 E CB -0.360 29.337 29.700 -0.006 0.000 0.843 461 E HN 0.412 nan 8.360 nan 0.000 0.530 462 L N 1.205 122.433 121.223 0.008 0.000 2.043 462 L HA -0.206 4.135 4.340 0.001 0.000 0.212 462 L C 2.354 179.222 176.870 -0.003 0.000 1.075 462 L CA 1.615 56.513 54.840 0.097 0.000 0.752 462 L CB -1.045 41.173 42.059 0.264 0.000 0.891 462 L HN 0.220 nan 8.230 nan 0.000 0.432 463 E N -0.239 119.807 120.200 -0.257 0.000 2.153 463 E HA -0.173 4.178 4.350 0.001 0.000 0.194 463 E C 1.884 178.375 176.600 -0.183 0.000 0.988 463 E CA 1.678 57.821 56.400 -0.428 0.000 0.811 463 E CB 0.216 29.337 29.700 -0.965 0.000 0.746 463 E HN 0.459 nan 8.360 nan 0.000 0.466 464 T N 1.375 115.852 114.554 -0.128 0.000 2.737 464 T HA -0.080 4.271 4.350 0.001 0.000 0.265 464 T C 2.118 176.857 174.700 0.065 0.000 1.038 464 T CA 1.295 63.362 62.100 -0.054 0.000 1.144 464 T CB -0.205 68.552 68.868 -0.185 0.000 0.866 464 T HN 0.159 nan 8.240 nan 0.000 0.434 465 I N 0.857 121.453 120.570 0.043 0.000 2.208 465 I HA -0.228 3.942 4.170 0.001 0.000 0.245 465 I C 2.666 178.849 176.117 0.109 0.000 1.097 465 I CA 0.964 62.322 61.300 0.096 0.000 1.363 465 I CB -0.435 37.619 38.000 0.091 0.000 1.051 465 I HN 0.341 nan 8.210 nan 0.000 0.413 466 C N -0.024 119.323 119.300 0.080 0.000 2.453 466 C HA -0.148 4.312 4.460 0.001 0.000 0.277 466 C C 2.937 177.943 174.990 0.026 0.000 1.262 466 C CA 0.828 59.893 59.018 0.079 0.000 1.718 466 C CB -1.135 26.677 27.740 0.120 0.000 2.031 466 C HN 0.464 nan 8.230 nan 0.000 0.480 467 R N -0.370 120.095 120.500 -0.058 0.000 2.127 467 R HA -0.151 4.189 4.340 0.001 0.000 0.238 467 R C 1.320 177.411 176.300 -0.349 0.000 1.134 467 R CA 1.803 57.766 56.100 -0.230 0.000 0.975 467 R CB -0.310 29.771 30.300 -0.365 0.000 0.865 467 R HN 0.683 nan 8.270 nan 0.000 0.447 468 Y N -0.350 119.990 120.300 0.067 0.000 2.457 468 Y HA 0.181 4.732 4.550 0.001 0.000 0.263 468 Y C 0.301 176.260 175.900 0.100 0.000 1.164 468 Y CA -0.144 58.022 58.100 0.110 0.000 1.274 468 Y CB 0.223 38.808 38.460 0.207 0.000 1.097 468 Y HN 0.147 nan 8.280 nan 0.000 0.523 469 N N 1.049 119.840 118.700 0.152 0.000 2.725 469 N HA -0.205 4.536 4.740 0.001 0.000 0.251 469 N C -1.146 174.447 175.510 0.137 0.000 1.031 469 N CA 0.314 53.436 53.050 0.121 0.000 0.720 469 N CB -1.233 37.311 38.487 0.095 0.000 0.930 469 N HN 0.321 nan 8.380 nan 0.000 0.543 470 L N 0.197 121.509 121.223 0.149 0.000 2.375 470 L HA 0.409 4.750 4.340 0.001 0.000 0.271 470 L C -1.351 175.581 176.870 0.103 0.000 1.107 470 L CA -1.752 53.166 54.840 0.131 0.000 0.806 470 L CB 0.699 42.833 42.059 0.125 0.000 1.146 470 L HN 0.068 nan 8.230 nan 0.000 0.447 471 P HA 0.098 nan 4.420 nan 0.000 0.230 471 P C -0.772 176.573 177.300 0.076 0.000 1.791 471 P CA 0.080 63.230 63.100 0.082 0.000 1.020 471 P CB 0.047 31.794 31.700 0.079 0.000 1.977 472 V N 1.653 121.613 119.914 0.077 0.000 2.495 472 V HA 0.367 4.488 4.120 0.001 0.000 0.298 472 V C 0.419 176.549 176.094 0.060 0.000 1.031 472 V CA -0.182 62.160 62.300 0.070 0.000 0.871 472 V CB 2.161 34.032 31.823 0.079 0.000 0.988 472 V HN 0.146 nan 8.190 nan 0.000 0.432 473 T N 4.175 118.749 114.554 0.034 0.000 2.809 473 T HA 0.450 4.801 4.350 0.001 0.000 0.296 473 T C -0.293 174.403 174.700 -0.007 0.000 1.015 473 T CA -0.320 61.781 62.100 0.002 0.000 0.954 473 T CB 1.277 70.108 68.868 -0.062 0.000 0.950 473 T HN 0.346 nan 8.240 nan 0.000 0.450 474 V N 5.621 125.536 119.914 0.001 0.000 2.406 474 V HA 0.401 4.522 4.120 0.001 0.000 0.272 474 V C 0.155 176.194 176.094 -0.093 0.000 1.043 474 V CA -0.648 61.636 62.300 -0.028 0.000 0.915 474 V CB 0.657 32.475 31.823 -0.008 0.000 0.988 474 V HN 0.793 nan 8.190 nan 0.000 0.466 475 I N 6.099 126.606 120.570 -0.104 0.000 2.328 475 I HA 0.359 4.529 4.170 0.001 0.000 0.287 475 I C -0.377 175.637 176.117 -0.172 0.000 1.012 475 I CA -0.395 60.828 61.300 -0.128 0.000 1.195 475 I CB 1.199 39.138 38.000 -0.102 0.000 1.350 475 I HN 0.350 nan 8.210 nan 0.000 0.464 476 I N 7.075 127.496 120.570 -0.250 0.000 2.325 476 I HA 0.194 4.364 4.170 0.001 0.000 0.291 476 I C 0.391 176.389 176.117 -0.198 0.000 1.019 476 I CA -0.415 60.685 61.300 -0.334 0.000 1.302 476 I CB 1.165 38.805 38.000 -0.600 0.000 1.401 476 I HN 0.509 nan 8.210 nan 0.000 0.485 477 M N 5.597 125.116 119.600 -0.135 0.000 3.237 477 M HA 0.065 4.546 4.480 0.001 0.000 0.266 477 M C 0.401 176.653 176.300 -0.081 0.000 1.456 477 M CA -0.078 55.168 55.300 -0.091 0.000 1.593 477 M CB -1.240 31.367 32.600 0.013 0.000 1.129 477 M HN 0.351 nan 8.290 nan 0.000 0.547 478 N N 3.416 122.063 118.700 -0.087 0.000 2.605 478 N HA 0.011 4.751 4.740 0.001 0.000 0.258 478 N C 0.520 176.027 175.510 -0.006 0.000 1.156 478 N CA 0.112 53.150 53.050 -0.021 0.000 1.008 478 N CB 0.200 38.708 38.487 0.035 0.000 1.354 478 N HN 0.419 nan 8.380 nan 0.000 0.509 479 N N 2.084 120.791 118.700 0.012 0.000 2.236 479 N HA 0.078 4.818 4.740 0.001 0.000 0.196 479 N C 0.827 176.367 175.510 0.050 0.000 1.114 479 N CA 0.483 53.546 53.050 0.022 0.000 0.859 479 N CB 0.051 38.566 38.487 0.047 0.000 0.982 479 N HN 0.392 nan 8.380 nan 0.000 0.493 480 G N -1.287 107.552 108.800 0.065 0.000 2.132 480 G HA2 0.104 4.064 3.960 0.001 0.000 0.228 480 G HA3 0.104 4.064 3.960 0.001 0.000 0.228 480 G C 0.263 175.199 174.900 0.059 0.000 1.000 480 G CA 0.212 45.351 45.100 0.066 0.000 0.693 480 G HN 0.995 nan 8.290 nan 0.000 0.515 481 G N -1.338 107.498 108.800 0.059 0.000 2.327 481 G HA2 0.487 4.447 3.960 0.001 0.000 0.291 481 G HA3 0.487 4.447 3.960 0.001 0.000 0.291 481 G C -0.861 174.037 174.900 -0.003 0.000 1.290 481 G CA -0.436 44.682 45.100 0.031 0.000 0.857 481 G HN 0.821 nan 8.290 nan 0.000 0.520 482 I N 1.794 122.315 120.570 -0.083 0.000 2.337 482 I HA 0.308 4.479 4.170 0.001 0.000 0.291 482 I C 1.104 177.050 176.117 -0.285 0.000 1.046 482 I CA 0.009 61.131 61.300 -0.297 0.000 1.324 482 I CB -0.268 37.476 38.000 -0.428 0.000 1.409 482 I HN 0.851 nan 8.210 nan 0.000 0.494 483 Y N 3.112 123.450 120.300 0.063 0.000 2.740 483 Y HA -0.401 4.149 4.550 0.001 0.000 0.482 483 Y C 0.716 176.662 175.900 0.077 0.000 1.156 483 Y CA 1.107 59.237 58.100 0.051 0.000 2.839 483 Y CB -1.116 37.361 38.460 0.030 0.000 0.979 483 Y HN 0.501 nan 8.280 nan 0.000 0.561 484 K N -0.315 120.212 120.400 0.213 0.000 2.480 484 K HA 0.624 4.945 4.320 0.001 0.000 0.258 484 K C 0.369 177.028 176.600 0.098 0.000 0.990 484 K CA -0.108 56.268 56.287 0.149 0.000 0.857 484 K CB 2.083 34.664 32.500 0.134 0.000 1.384 484 K HN 0.199 nan 8.250 nan 0.000 0.446 485 G N 0.769 109.617 108.800 0.080 0.000 3.774 485 G HA2 0.002 3.963 3.960 0.001 0.000 0.287 485 G HA3 0.002 3.963 3.960 0.001 0.000 0.287 485 G C 0.022 174.950 174.900 0.046 0.000 1.030 485 G CA -0.246 44.889 45.100 0.058 0.000 0.824 485 G HN 0.616 nan 8.290 nan 0.000 0.518 486 N N -0.496 118.233 118.700 0.049 0.000 2.240 486 N HA 0.058 4.798 4.740 0.001 0.000 0.240 486 N C -0.125 175.408 175.510 0.037 0.000 1.277 486 N CA -0.491 52.583 53.050 0.039 0.000 0.873 486 N CB 0.151 38.661 38.487 0.038 0.000 1.222 486 N HN 0.310 nan 8.380 nan 0.000 0.507 487 E N 1.185 121.410 120.200 0.042 0.000 2.376 487 E HA 0.368 4.718 4.350 0.001 0.000 0.266 487 E C -0.076 176.541 176.600 0.029 0.000 1.009 487 E CA -0.381 56.043 56.400 0.039 0.000 0.902 487 E CB 0.683 30.411 29.700 0.047 0.000 0.972 487 E HN 0.384 nan 8.360 nan 0.000 0.439 488 A N 4.706 127.541 122.820 0.025 0.000 2.520 488 A HA -0.008 4.313 4.320 0.001 0.000 0.235 488 A C -0.316 177.279 177.584 0.017 0.000 1.065 488 A CA -0.297 51.751 52.037 0.019 0.000 0.764 488 A CB 0.223 19.234 19.000 0.017 0.000 1.002 488 A HN 0.713 nan 8.150 nan 0.000 0.502 489 D N 2.960 123.368 120.400 0.013 0.000 2.472 489 D HA 0.143 4.784 4.640 0.001 0.000 0.248 489 D C -1.071 175.236 176.300 0.011 0.000 1.174 489 D CA -0.755 53.251 54.000 0.011 0.000 0.883 489 D CB 0.575 41.380 40.800 0.008 0.000 1.149 489 D HN 0.319 nan 8.370 nan 0.000 0.488 490 P HA -0.102 nan 4.420 nan 0.000 0.223 490 P C 0.066 177.371 177.300 0.008 0.000 1.151 490 P CA 0.973 64.079 63.100 0.010 0.000 0.787 490 P CB 0.666 32.372 31.700 0.010 0.000 0.788 491 Q N -1.473 118.331 119.800 0.006 0.000 2.511 491 Q HA 0.403 4.743 4.340 0.001 0.000 0.289 491 Q C -2.921 173.081 176.000 0.004 0.000 1.021 491 Q CA -2.412 53.393 55.803 0.005 0.000 0.785 491 Q CB 0.991 29.732 28.738 0.004 0.000 1.472 491 Q HN -0.112 nan 8.270 nan 0.000 0.411 492 P HA 0.088 nan 4.420 nan 0.000 0.262 492 P C 0.636 177.937 177.300 0.002 0.000 1.199 492 P CA 1.247 64.349 63.100 0.003 0.000 0.763 492 P CB 0.106 31.807 31.700 0.002 0.000 0.790 493 G N 1.788 110.589 108.800 0.002 0.000 2.184 493 G HA2 -0.218 3.743 3.960 0.001 0.000 0.264 493 G HA3 -0.218 3.743 3.960 0.001 0.000 0.264 493 G C 0.036 174.937 174.900 0.001 0.000 0.975 493 G CA -0.129 44.972 45.100 0.001 0.000 0.642 493 G HN 0.532 nan 8.290 nan 0.000 0.536 494 V N 2.007 121.923 119.914 0.002 0.000 2.350 494 V HA 0.514 4.635 4.120 0.001 0.000 0.276 494 V C 0.993 177.089 176.094 0.004 0.000 1.028 494 V CA -0.756 61.546 62.300 0.002 0.000 0.860 494 V CB 1.616 33.441 31.823 0.003 0.000 0.990 494 V HN 0.400 nan 8.190 nan 0.000 0.453 495 I N 3.827 124.398 120.570 0.003 0.000 2.692 495 I HA 0.129 4.299 4.170 0.001 0.000 0.284 495 I C 1.058 177.179 176.117 0.006 0.000 1.159 495 I CA 0.578 61.881 61.300 0.004 0.000 1.423 495 I CB 1.246 39.247 38.000 0.002 0.000 1.380 495 I HN 0.734 nan 8.210 nan 0.000 0.580 496 S N 5.439 121.146 115.700 0.010 0.000 2.579 496 S HA -0.017 4.453 4.470 0.001 0.000 0.275 496 S C 1.352 175.958 174.600 0.011 0.000 1.345 496 S CA -0.393 57.816 58.200 0.014 0.000 1.031 496 S CB 0.639 63.852 63.200 0.021 0.000 0.892 496 S HN 0.858 nan 8.310 nan 0.000 0.529 497 C N 2.387 121.693 119.300 0.011 0.000 2.432 497 C HA 0.071 4.531 4.460 0.001 0.000 0.282 497 C C 2.274 177.264 174.990 0.001 0.000 1.388 497 C CA 0.785 59.806 59.018 0.005 0.000 1.777 497 C CB -2.238 25.506 27.740 0.007 0.000 1.882 497 C HN 0.949 nan 8.230 nan 0.000 0.520 498 T N -2.765 111.795 114.554 0.009 0.000 3.107 498 T HA 0.204 4.555 4.350 0.001 0.000 0.249 498 T C 0.673 175.372 174.700 -0.001 0.000 1.096 498 T CA -0.042 62.057 62.100 -0.003 0.000 1.012 498 T CB -0.270 68.614 68.868 0.026 0.000 0.977 498 T HN 0.489 nan 8.240 nan 0.000 0.527 499 R N 1.007 121.512 120.500 0.008 0.000 2.404 499 R HA 0.659 5.000 4.340 0.001 0.000 0.291 499 R C -0.490 175.819 176.300 0.014 0.000 1.025 499 R CA -0.470 55.639 56.100 0.015 0.000 0.991 499 R CB 1.274 31.584 30.300 0.016 0.000 1.053 499 R HN 0.373 nan 8.270 nan 0.000 0.479 500 L N 0.665 121.905 121.223 0.029 0.000 2.354 500 L HA 0.389 4.729 4.340 0.001 0.000 0.264 500 L C 0.272 177.168 176.870 0.043 0.000 1.008 500 L CA -0.986 53.880 54.840 0.043 0.000 0.819 500 L CB 2.125 44.231 42.059 0.079 0.000 1.339 500 L HN 0.485 nan 8.230 nan 0.000 0.420 501 T N 0.724 115.295 114.554 0.029 0.000 2.908 501 T HA 0.005 4.355 4.350 0.001 0.000 0.301 501 T C 0.604 175.320 174.700 0.026 0.000 1.019 501 T CA 0.070 62.172 62.100 0.005 0.000 1.152 501 T CB 0.049 68.895 68.868 -0.036 0.000 0.966 501 T HN 0.357 nan 8.240 nan 0.000 0.540 502 R N 2.765 123.278 120.500 0.022 0.000 4.154 502 R HA 0.271 4.612 4.340 0.001 0.000 0.186 502 R C 1.011 177.308 176.300 -0.005 0.000 1.750 502 R CA -0.234 55.892 56.100 0.044 0.000 1.431 502 R CB -0.705 29.613 30.300 0.030 0.000 1.383 502 R HN 0.785 nan 8.270 nan 0.000 0.788 503 G N 0.761 109.506 108.800 -0.092 0.000 2.599 503 G HA2 0.094 4.055 3.960 0.001 0.000 0.264 503 G HA3 0.094 4.055 3.960 0.001 0.000 0.264 503 G C -0.327 174.414 174.900 -0.265 0.000 1.200 503 G CA -0.723 44.200 45.100 -0.294 0.000 0.896 503 G HN 0.391 nan 8.290 nan 0.000 0.536 504 R N 1.002 121.358 120.500 -0.240 0.000 3.235 504 R HA 0.128 4.469 4.340 0.001 0.000 0.232 504 R C 0.176 176.392 176.300 -0.139 0.000 1.475 504 R CA -0.364 55.661 56.100 -0.125 0.000 1.405 504 R CB -0.444 29.803 30.300 -0.088 0.000 1.266 504 R HN 0.636 nan 8.270 nan 0.000 0.650 505 Y N 1.002 121.285 120.300 -0.028 0.000 2.333 505 Y HA -0.246 4.304 4.550 0.001 0.000 0.290 505 Y C 2.130 178.012 175.900 -0.030 0.000 1.144 505 Y CA 1.563 59.642 58.100 -0.035 0.000 1.228 505 Y CB 0.018 38.385 38.460 -0.155 0.000 0.985 505 Y HN 0.458 nan 8.280 nan 0.000 0.542 506 D N -0.072 120.388 120.400 0.100 0.000 2.123 506 D HA -0.249 4.392 4.640 0.001 0.000 0.196 506 D C 1.905 178.208 176.300 0.005 0.000 0.992 506 D CA 1.546 55.573 54.000 0.045 0.000 0.833 506 D CB -0.618 40.197 40.800 0.024 0.000 0.954 506 D HN 0.364 nan 8.370 nan 0.000 0.455 507 M N -0.173 119.414 119.600 -0.022 0.000 2.132 507 M HA -0.078 4.402 4.480 0.001 0.000 0.263 507 M C 2.629 178.888 176.300 -0.068 0.000 1.065 507 M CA 1.133 56.398 55.300 -0.058 0.000 1.122 507 M CB -0.245 32.311 32.600 -0.074 0.000 1.365 507 M HN 0.028 nan 8.290 nan 0.000 0.411 508 M N -0.194 119.394 119.600 -0.020 0.000 2.108 508 M HA -0.276 4.205 4.480 0.001 0.000 0.261 508 M C 2.221 178.556 176.300 0.057 0.000 1.066 508 M CA 1.759 57.070 55.300 0.018 0.000 1.107 508 M CB -0.113 32.587 32.600 0.166 0.000 1.356 508 M HN 0.250 nan 8.290 nan 0.000 0.406 509 M N 0.881 120.555 119.600 0.124 0.000 2.086 509 M HA -0.171 4.309 4.480 0.001 0.000 0.261 509 M C 1.765 178.103 176.300 0.064 0.000 1.067 509 M CA 1.875 57.272 55.300 0.161 0.000 1.116 509 M CB -0.600 32.079 32.600 0.131 0.000 1.348 509 M HN 0.259 nan 8.290 nan 0.000 0.407 510 E N -0.047 120.140 120.200 -0.021 0.000 2.160 510 E HA -0.166 4.184 4.350 0.001 0.000 0.195 510 E C 1.975 178.493 176.600 -0.137 0.000 0.991 510 E CA 1.388 57.749 56.400 -0.066 0.000 0.810 510 E CB -0.567 29.084 29.700 -0.082 0.000 0.742 510 E HN 0.646 nan 8.360 nan 0.000 0.466 511 A N 0.366 123.017 122.820 -0.281 0.000 2.076 511 A HA -0.142 4.178 4.320 0.001 0.000 0.220 511 A C 1.500 178.694 177.584 -0.650 0.000 1.160 511 A CA 1.092 52.805 52.037 -0.540 0.000 0.653 511 A CB -0.568 17.938 19.000 -0.824 0.000 0.801 511 A HN 0.210 nan 8.150 nan 0.000 0.455 512 F N -1.714 118.249 119.950 0.021 0.000 2.668 512 F HA 0.430 4.958 4.527 0.001 0.000 0.301 512 F C 1.578 177.385 175.800 0.012 0.000 1.106 512 F CA 0.421 58.432 58.000 0.018 0.000 1.289 512 F CB 0.596 39.615 39.000 0.030 0.000 1.006 512 F HN 0.301 nan 8.300 nan 0.000 0.535 513 G N 0.497 109.352 108.800 0.092 0.000 2.157 513 G HA2 -0.184 3.777 3.960 0.001 0.000 0.239 513 G HA3 -0.184 3.777 3.960 0.001 0.000 0.239 513 G C 0.609 175.548 174.900 0.065 0.000 0.982 513 G CA -0.317 44.821 45.100 0.063 0.000 0.650 513 G HN 0.709 nan 8.290 nan 0.000 0.527 514 G N -0.452 108.400 108.800 0.088 0.000 2.580 514 G HA2 0.572 4.533 3.960 0.001 0.000 0.278 514 G HA3 0.572 4.533 3.960 0.001 0.000 0.278 514 G C -0.080 174.840 174.900 0.033 0.000 1.212 514 G CA -0.572 44.577 45.100 0.081 0.000 0.939 514 G HN 0.409 nan 8.290 nan 0.000 0.513 515 K N -0.125 120.296 120.400 0.034 0.000 2.213 515 K HA 0.514 4.835 4.320 0.001 0.000 0.270 515 K C 0.053 176.618 176.600 -0.058 0.000 1.002 515 K CA -0.377 55.881 56.287 -0.049 0.000 0.868 515 K CB 1.854 34.343 32.500 -0.017 0.000 1.093 515 K HN 0.492 nan 8.250 nan 0.000 0.454 516 G N 2.366 111.055 108.800 -0.185 0.000 2.415 516 G HA2 0.517 4.477 3.960 0.001 0.000 0.327 516 G HA3 0.517 4.477 3.960 0.001 0.000 0.327 516 G C -1.421 173.313 174.900 -0.276 0.000 1.182 516 G CA -0.356 44.679 45.100 -0.108 0.000 0.924 516 G HN 0.410 nan 8.290 nan 0.000 0.470 517 Y N 0.322 120.612 120.300 -0.017 0.000 2.499 517 Y HA 0.527 5.077 4.550 0.001 0.000 0.347 517 Y C -0.055 175.831 175.900 -0.025 0.000 0.987 517 Y CA -0.944 57.142 58.100 -0.023 0.000 1.044 517 Y CB 2.755 41.196 38.460 -0.033 0.000 1.245 517 Y HN 0.370 nan 8.280 nan 0.000 0.461 518 V N 2.327 122.320 119.914 0.133 0.000 2.417 518 V HA 0.773 4.893 4.120 0.001 0.000 0.291 518 V C -0.396 175.734 176.094 0.060 0.000 1.024 518 V CA -0.865 61.477 62.300 0.070 0.000 0.861 518 V CB 1.262 33.106 31.823 0.034 0.000 0.985 518 V HN 0.854 nan 8.190 nan 0.000 0.436 519 A N 3.345 126.180 122.820 0.024 0.000 2.293 519 A HA 0.519 4.840 4.320 0.001 0.000 0.312 519 A C 0.347 177.921 177.584 -0.016 0.000 1.309 519 A CA -0.549 51.486 52.037 -0.004 0.000 0.839 519 A CB 0.028 19.007 19.000 -0.035 0.000 1.155 519 A HN 0.907 nan 8.150 nan 0.000 0.501 520 N N 0.532 119.225 118.700 -0.011 0.000 2.325 520 N HA 0.059 4.799 4.740 0.001 0.000 0.182 520 N C 0.280 175.777 175.510 -0.022 0.000 1.088 520 N CA 0.938 53.978 53.050 -0.016 0.000 0.879 520 N CB 0.636 39.118 38.487 -0.008 0.000 0.983 520 N HN 0.749 nan 8.380 nan 0.000 0.471 521 T N -3.782 110.758 114.554 -0.022 0.000 2.883 521 T HA 0.305 4.655 4.350 0.001 0.000 0.301 521 T C -2.511 172.173 174.700 -0.027 0.000 1.158 521 T CA -1.875 60.211 62.100 -0.023 0.000 1.007 521 T CB 2.159 71.019 68.868 -0.014 0.000 1.186 521 T HN -0.350 nan 8.240 nan 0.000 0.499 522 P HA -0.063 nan 4.420 nan 0.000 0.216 522 P C 1.648 178.934 177.300 -0.023 0.000 1.150 522 P CA 1.785 64.870 63.100 -0.026 0.000 0.843 522 P CB -0.222 31.468 31.700 -0.016 0.000 0.787 523 A N -0.078 122.732 122.820 -0.015 0.000 1.902 523 A HA -0.227 4.093 4.320 0.001 0.000 0.217 523 A C 2.159 179.733 177.584 -0.017 0.000 1.181 523 A CA 1.627 53.657 52.037 -0.011 0.000 0.623 523 A CB -1.159 17.838 19.000 -0.004 0.000 0.818 523 A HN 0.181 nan 8.150 nan 0.000 0.443 524 E N -0.761 119.429 120.200 -0.017 0.000 2.110 524 E HA -0.175 4.175 4.350 0.001 0.000 0.193 524 E C 1.940 178.511 176.600 -0.047 0.000 0.988 524 E CA 1.145 57.535 56.400 -0.017 0.000 0.804 524 E CB -0.252 29.446 29.700 -0.003 0.000 0.745 524 E HN 0.498 nan 8.360 nan 0.000 0.458 525 L N 1.830 123.017 121.223 -0.060 0.000 2.046 525 L HA -0.187 4.154 4.340 0.001 0.000 0.208 525 L C 2.195 178.987 176.870 -0.130 0.000 1.077 525 L CA 1.864 56.645 54.840 -0.099 0.000 0.747 525 L CB -0.308 41.700 42.059 -0.084 0.000 0.896 525 L HN -0.085 nan 8.230 nan 0.000 0.432 526 K N -0.652 119.698 120.400 -0.084 0.000 1.985 526 K HA -0.177 4.144 4.320 0.001 0.000 0.210 526 K C 2.032 178.582 176.600 -0.083 0.000 1.047 526 K CA 1.448 57.694 56.287 -0.069 0.000 0.932 526 K CB -0.352 32.139 32.500 -0.014 0.000 0.716 526 K HN 0.424 nan 8.250 nan 0.000 0.439 527 A N 1.200 123.985 122.820 -0.059 0.000 1.892 527 A HA -0.204 4.116 4.320 0.001 0.000 0.218 527 A C 2.360 179.870 177.584 -0.124 0.000 1.188 527 A CA 2.384 54.391 52.037 -0.050 0.000 0.631 527 A CB -0.998 17.992 19.000 -0.015 0.000 0.822 527 A HN 0.545 nan 8.150 nan 0.000 0.447 528 A N -0.897 121.798 122.820 -0.210 0.000 1.902 528 A HA -0.002 4.318 4.320 0.001 0.000 0.217 528 A C 2.146 179.376 177.584 -0.591 0.000 1.181 528 A CA 1.766 53.500 52.037 -0.505 0.000 0.623 528 A CB -0.589 18.084 19.000 -0.545 0.000 0.818 528 A HN 0.727 nan 8.150 nan 0.000 0.443 529 L N 0.186 121.151 121.223 -0.430 0.000 2.027 529 L HA -0.126 4.214 4.340 0.001 0.000 0.206 529 L C 2.157 178.728 176.870 -0.499 0.000 1.074 529 L CA 2.378 56.922 54.840 -0.493 0.000 0.745 529 L CB -0.793 40.948 42.059 -0.530 0.000 0.898 529 L HN 0.522 nan 8.230 nan 0.000 0.433 530 E N -0.468 119.551 120.200 -0.301 0.000 2.051 530 E HA -0.256 4.095 4.350 0.001 0.000 0.192 530 E C 2.040 178.636 176.600 -0.006 0.000 0.991 530 E CA 1.661 58.053 56.400 -0.014 0.000 0.799 530 E CB -0.132 29.637 29.700 0.114 0.000 0.748 530 E HN 0.630 nan 8.360 nan 0.000 0.449 531 E N 0.531 120.690 120.200 -0.069 0.000 2.072 531 E HA -0.160 4.191 4.350 0.001 0.000 0.191 531 E C 2.035 178.629 176.600 -0.009 0.000 0.985 531 E CA 0.871 57.264 56.400 -0.013 0.000 0.801 531 E CB -0.080 29.631 29.700 0.018 0.000 0.750 531 E HN 0.221 nan 8.360 nan 0.000 0.452 532 A N 0.823 123.565 122.820 -0.130 0.000 1.858 532 A HA -0.149 4.171 4.320 0.001 0.000 0.216 532 A C 2.505 180.081 177.584 -0.012 0.000 1.190 532 A CA 1.247 53.243 52.037 -0.068 0.000 0.617 532 A CB -0.759 18.117 19.000 -0.206 0.000 0.827 532 A HN 0.120 nan 8.150 nan 0.000 0.443 533 V N -0.077 119.811 119.914 -0.044 0.000 2.343 533 V HA -0.252 3.868 4.120 0.001 0.000 0.247 533 V C 3.025 179.178 176.094 0.099 0.000 1.051 533 V CA 2.026 64.358 62.300 0.054 0.000 1.036 533 V CB -1.199 30.718 31.823 0.158 0.000 0.654 533 V HN 0.615 nan 8.190 nan 0.000 0.451 534 A N 0.536 123.418 122.820 0.102 0.000 2.015 534 A HA -0.166 4.155 4.320 0.001 0.000 0.219 534 A C 2.515 180.144 177.584 0.075 0.000 1.163 534 A CA 1.857 53.950 52.037 0.093 0.000 0.646 534 A CB -0.629 18.425 19.000 0.091 0.000 0.806 534 A HN 0.692 nan 8.150 nan 0.000 0.448 535 S N -1.204 114.540 115.700 0.073 0.000 2.399 535 S HA 0.206 4.676 4.470 0.001 0.000 0.231 535 S C 1.670 176.312 174.600 0.070 0.000 1.022 535 S CA 1.450 59.695 58.200 0.074 0.000 0.983 535 S CB -0.807 62.448 63.200 0.091 0.000 0.803 535 S HN 1.981 nan 8.310 nan 0.000 0.480 536 G N 0.760 109.604 108.800 0.073 0.000 2.143 536 G HA2 -0.237 3.723 3.960 0.001 0.000 0.248 536 G HA3 -0.237 3.723 3.960 0.001 0.000 0.248 536 G C -0.083 174.862 174.900 0.076 0.000 0.991 536 G CA 0.515 45.658 45.100 0.072 0.000 0.689 536 G HN 0.665 nan 8.290 nan 0.000 0.522 537 K N 0.284 120.732 120.400 0.080 0.000 2.350 537 K HA 0.551 4.871 4.320 0.001 0.000 0.241 537 K C -2.708 173.947 176.600 0.091 0.000 0.994 537 K CA -2.284 54.053 56.287 0.084 0.000 0.839 537 K CB 2.500 35.048 32.500 0.079 0.000 1.244 537 K HN -0.081 nan 8.250 nan 0.000 0.443 538 P HA 0.084 nan 4.420 nan 0.000 0.270 538 P C -0.753 176.614 177.300 0.112 0.000 1.242 538 P CA -0.179 62.982 63.100 0.102 0.000 0.768 538 P CB 0.147 31.910 31.700 0.106 0.000 0.820 539 C N 3.857 123.228 119.300 0.118 0.000 2.848 539 C HA 0.735 5.195 4.460 0.001 0.000 0.317 539 C C -0.125 174.940 174.990 0.125 0.000 1.260 539 C CA -0.595 58.518 59.018 0.158 0.000 1.656 539 C CB 1.713 29.577 27.740 0.206 0.000 2.174 539 C HN 0.548 nan 8.230 nan 0.000 0.479 540 L N 1.823 123.140 121.223 0.157 0.000 2.464 540 L HA 0.721 5.061 4.340 0.001 0.000 0.266 540 L C -1.504 175.446 176.870 0.135 0.000 0.965 540 L CA -0.311 54.580 54.840 0.085 0.000 0.833 540 L CB 1.084 43.175 42.059 0.053 0.000 1.296 540 L HN 0.679 nan 8.230 nan 0.000 0.405 541 I N 4.054 124.640 120.570 0.027 0.000 2.362 541 I HA 0.320 4.491 4.170 0.001 0.000 0.289 541 I C -0.356 175.742 176.117 -0.032 0.000 0.994 541 I CA -0.498 60.814 61.300 0.020 0.000 1.158 541 I CB 1.571 39.508 38.000 -0.105 0.000 1.315 541 I HN 0.519 nan 8.210 nan 0.000 0.451 542 N N 5.835 124.542 118.700 0.013 0.000 2.555 542 N HA 0.336 5.076 4.740 0.001 0.000 0.244 542 N C -0.462 175.036 175.510 -0.020 0.000 1.114 542 N CA -0.202 52.846 53.050 -0.004 0.000 0.963 542 N CB 0.904 39.426 38.487 0.058 0.000 1.276 542 N HN 0.679 nan 8.380 nan 0.000 0.510 543 A N 4.255 127.038 122.820 -0.063 0.000 2.310 543 A HA 0.345 4.666 4.320 0.001 0.000 0.300 543 A C 0.203 177.744 177.584 -0.071 0.000 1.269 543 A CA -0.507 51.487 52.037 -0.071 0.000 0.909 543 A CB -0.046 18.896 19.000 -0.097 0.000 1.144 543 A HN 0.536 nan 8.150 nan 0.000 0.540 544 M N 4.375 123.943 119.600 -0.054 0.000 2.264 544 M HA 0.248 4.728 4.480 0.001 0.000 0.340 544 M C -0.362 175.889 176.300 -0.081 0.000 1.420 544 M CA -0.326 54.945 55.300 -0.047 0.000 1.254 544 M CB -0.675 31.910 32.600 -0.025 0.000 1.575 544 M HN 0.362 nan 8.290 nan 0.000 0.452 545 I N 1.938 122.443 120.570 -0.108 0.000 2.428 545 I HA 0.185 4.356 4.170 0.001 0.000 0.296 545 I C 0.622 176.679 176.117 -0.100 0.000 0.985 545 I CA -0.794 60.403 61.300 -0.172 0.000 1.260 545 I CB 1.018 38.824 38.000 -0.323 0.000 1.389 545 I HN 0.491 nan 8.210 nan 0.000 0.484 546 D N 7.847 128.194 120.400 -0.088 0.000 2.520 546 D HA -0.004 4.637 4.640 0.001 0.000 0.243 546 D C -1.658 174.642 176.300 -0.000 0.000 1.160 546 D CA -1.156 52.825 54.000 -0.031 0.000 0.877 546 D CB 1.286 42.076 40.800 -0.016 0.000 1.150 546 D HN 0.214 nan 8.370 nan 0.000 0.494 547 P HA -0.105 nan 4.420 nan 0.000 0.221 547 P C 0.527 177.867 177.300 0.066 0.000 1.145 547 P CA 0.889 64.015 63.100 0.043 0.000 0.795 547 P CB 0.312 32.033 31.700 0.035 0.000 0.775 548 D N -1.743 118.691 120.400 0.057 0.000 2.349 548 D HA 0.146 4.786 4.640 0.001 0.000 0.214 548 D C 1.740 178.092 176.300 0.087 0.000 1.063 548 D CA 0.096 54.135 54.000 0.066 0.000 0.847 548 D CB -0.273 40.554 40.800 0.045 0.000 0.933 548 D HN -0.080 nan 8.370 nan 0.000 0.513 549 A N -0.139 122.747 122.820 0.111 0.000 1.897 549 A HA 0.252 4.572 4.320 0.001 0.000 0.215 549 A C 1.619 179.347 177.584 0.240 0.000 1.181 549 A CA 1.043 53.176 52.037 0.160 0.000 0.620 549 A CB -0.749 18.331 19.000 0.134 0.000 0.821 549 A HN 0.282 nan 8.150 nan 0.000 0.443 550 G N -0.771 108.207 108.800 0.296 0.000 2.539 550 G HA2 0.468 4.429 3.960 0.001 0.000 0.258 550 G HA3 0.468 4.429 3.960 0.001 0.000 0.258 550 G C 0.039 174.993 174.900 0.090 0.000 1.202 550 G CA 0.315 45.533 45.100 0.196 0.000 0.851 550 G HN 1.061 nan 8.290 nan 0.000 0.556 551 V N -0.534 119.386 119.914 0.011 0.000 2.975 551 V HA 0.673 4.794 4.120 0.001 0.000 0.318 551 V C 0.723 176.761 176.094 -0.094 0.000 1.077 551 V CA -0.340 61.944 62.300 -0.027 0.000 1.000 551 V CB 1.907 33.698 31.823 -0.053 0.000 1.066 551 V HN 0.903 nan 8.190 nan 0.000 0.452 552 E N 1.542 121.642 120.200 -0.166 0.000 2.110 552 E HA 0.190 4.541 4.350 0.001 0.000 0.194 552 E C 1.127 177.480 176.600 -0.412 0.000 0.944 552 E CA 0.437 56.582 56.400 -0.425 0.000 0.899 552 E CB 0.527 30.049 29.700 -0.297 0.000 0.907 552 E HN 0.849 nan 8.360 nan 0.000 0.473 553 S N 0.000 115.564 115.700 -0.227 0.000 2.498 553 S HA 0.000 4.471 4.470 0.001 0.000 0.327 553 S CA 0.000 58.102 58.200 -0.163 0.000 1.107 553 S CB 0.000 63.144 63.200 -0.094 0.000 0.593 553 S HN 0.000 nan 8.310 nan 0.000 0.517