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 2ji8_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 PDAGVESGRI DATA SEQUENCE KSLNVVSKV 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 0.000 176.104 176.094 0.017 0.000 1.182 7 V CA 0.000 62.308 62.300 0.013 0.000 1.235 7 V CB 0.000 31.831 31.823 0.013 0.000 1.184 8 E N 4.127 124.337 120.200 0.017 0.000 2.366 8 E HA 0.651 5.001 4.350 0.001 0.000 0.266 8 E C -1.384 175.233 176.600 0.028 0.000 1.051 8 E CA -0.430 55.982 56.400 0.020 0.000 0.884 8 E CB 1.105 30.814 29.700 0.015 0.000 1.006 8 E HN 0.602 nan 8.360 nan 0.000 0.417 9 L N 2.696 123.941 121.223 0.037 0.000 2.381 9 L HA 0.417 4.757 4.340 0.001 0.000 0.268 9 L C 0.193 177.107 176.870 0.073 0.000 0.997 9 L CA -0.708 54.163 54.840 0.051 0.000 0.818 9 L CB 2.095 44.186 42.059 0.053 0.000 1.310 9 L HN 0.543 nan 8.230 nan 0.000 0.416 10 T N -0.130 114.479 114.554 0.091 0.000 2.905 10 T HA 0.587 4.938 4.350 0.001 0.000 0.283 10 T C -1.449 173.353 174.700 0.169 0.000 1.031 10 T CA -0.412 61.779 62.100 0.152 0.000 1.002 10 T CB 1.726 70.675 68.868 0.135 0.000 1.200 10 T HN 0.811 nan 8.240 nan 0.000 0.560 11 D N -1.113 119.431 120.400 0.241 0.000 2.592 11 D HA 0.432 5.073 4.640 0.001 0.000 0.263 11 D C 1.321 177.702 176.300 0.135 0.000 1.132 11 D CA -0.229 53.873 54.000 0.171 0.000 0.996 11 D CB 0.524 41.446 40.800 0.204 0.000 1.442 11 D HN 0.644 nan 8.370 nan 0.000 0.486 12 G N -0.339 108.479 108.800 0.030 0.000 2.469 12 G HA2 -0.261 3.700 3.960 0.001 0.000 0.220 12 G HA3 -0.261 3.700 3.960 0.001 0.000 0.220 12 G C 1.110 176.047 174.900 0.061 0.000 1.136 12 G CA 0.612 45.694 45.100 -0.030 0.000 0.759 12 G HN 0.393 nan 8.290 nan 0.000 0.562 13 F N 0.497 120.517 119.950 0.117 0.000 2.095 13 F HA -0.031 4.496 4.527 0.001 0.000 0.298 13 F C 2.649 178.458 175.800 0.016 0.000 1.104 13 F CA 1.839 59.852 58.000 0.021 0.000 1.232 13 F CB -0.689 38.160 39.000 -0.252 0.000 0.987 13 F HN 0.251 nan 8.300 nan 0.000 0.475 14 H N -1.700 117.561 119.070 0.319 0.000 2.436 14 H HA -0.019 4.537 4.556 0.000 0.000 0.294 14 H C 2.220 177.643 175.328 0.159 0.000 1.048 14 H CA 0.803 56.977 56.048 0.209 0.000 1.353 14 H CB -0.062 29.793 29.762 0.155 0.000 1.414 14 H HN 0.015 nan 8.280 nan 0.000 0.536 15 V N 0.706 120.769 119.914 0.249 0.000 2.358 15 V HA -0.203 3.917 4.120 0.001 0.000 0.246 15 V C 2.263 178.440 176.094 0.138 0.000 1.047 15 V CA 1.256 63.650 62.300 0.156 0.000 1.035 15 V CB -0.378 31.506 31.823 0.103 0.000 0.658 15 V HN 0.277 nan 8.190 nan 0.000 0.452 16 L N -0.042 121.271 121.223 0.150 0.000 2.017 16 L HA -0.115 4.226 4.340 0.001 0.000 0.208 16 L C 2.163 179.149 176.870 0.194 0.000 1.073 16 L CA 1.837 56.762 54.840 0.141 0.000 0.745 16 L CB -0.511 41.645 42.059 0.162 0.000 0.894 16 L HN 0.203 nan 8.230 nan 0.000 0.432 17 I N -0.285 120.456 120.570 0.285 0.000 2.127 17 I HA -0.338 3.833 4.170 0.001 0.000 0.241 17 I C 2.059 178.384 176.117 0.347 0.000 1.075 17 I CA 1.637 63.194 61.300 0.428 0.000 1.334 17 I CB -0.523 37.746 38.000 0.447 0.000 1.040 17 I HN 0.301 nan 8.210 nan 0.000 0.405 18 D N 0.848 121.385 120.400 0.228 0.000 2.117 18 D HA -0.136 4.505 4.640 0.001 0.000 0.197 18 D C 2.249 178.614 176.300 0.109 0.000 0.987 18 D CA 1.546 55.633 54.000 0.144 0.000 0.829 18 D CB -0.280 40.585 40.800 0.108 0.000 0.961 18 D HN 0.364 nan 8.370 nan 0.000 0.460 19 A N 0.689 123.564 122.820 0.092 0.000 1.902 19 A HA -0.127 4.193 4.320 0.001 0.000 0.217 19 A C 2.390 179.995 177.584 0.035 0.000 1.181 19 A CA 0.938 52.988 52.037 0.022 0.000 0.623 19 A CB -0.798 18.202 19.000 -0.000 0.000 0.818 19 A HN 0.200 nan 8.150 nan 0.000 0.443 20 L N -0.905 120.385 121.223 0.111 0.000 2.046 20 L HA -0.201 4.140 4.340 0.001 0.000 0.208 20 L C 2.587 179.578 176.870 0.202 0.000 1.077 20 L CA 1.768 56.694 54.840 0.143 0.000 0.747 20 L CB -0.379 41.772 42.059 0.153 0.000 0.896 20 L HN 0.345 nan 8.230 nan 0.000 0.432 21 K N -0.596 119.949 120.400 0.242 0.000 2.148 21 K HA -0.188 4.132 4.320 0.001 0.000 0.204 21 K C 2.069 178.715 176.600 0.077 0.000 1.050 21 K CA 1.383 57.766 56.287 0.160 0.000 0.942 21 K CB -0.112 32.446 32.500 0.097 0.000 0.724 21 K HN 0.165 nan 8.250 nan 0.000 0.446 22 M N 1.024 120.651 119.600 0.046 0.000 2.229 22 M HA -0.093 4.388 4.480 0.001 0.000 0.264 22 M C 0.825 177.115 176.300 -0.018 0.000 1.063 22 M CA 1.416 56.716 55.300 -0.001 0.000 1.114 22 M CB 0.269 32.846 32.600 -0.038 0.000 1.387 22 M HN 0.028 nan 8.290 nan 0.000 0.420 23 N N 0.630 119.323 118.700 -0.012 0.000 2.362 23 N HA -0.025 4.716 4.740 0.001 0.000 0.204 23 N C -0.631 174.901 175.510 0.036 0.000 1.166 23 N CA 0.405 53.450 53.050 -0.009 0.000 0.831 23 N CB 0.139 38.610 38.487 -0.027 0.000 1.008 23 N HN 0.305 nan 8.380 nan 0.000 0.472 24 D N 0.226 120.658 120.400 0.054 0.000 3.068 24 D HA -0.143 4.497 4.640 0.001 0.000 0.218 24 D C -0.360 176.002 176.300 0.105 0.000 1.145 24 D CA 0.623 54.662 54.000 0.066 0.000 0.896 24 D CB -1.098 39.728 40.800 0.044 0.000 1.105 24 D HN 0.254 nan 8.370 nan 0.000 0.423 25 I N 1.676 122.340 120.570 0.156 0.000 2.352 25 I HA 0.145 4.316 4.170 0.001 0.000 0.290 25 I C 1.342 177.677 176.117 0.364 0.000 1.036 25 I CA -0.014 61.426 61.300 0.233 0.000 1.336 25 I CB 1.010 39.139 38.000 0.216 0.000 1.407 25 I HN -0.065 nan 8.210 nan 0.000 0.497 26 D N 2.164 122.746 120.400 0.303 0.000 2.500 26 D HA 0.081 4.722 4.640 0.001 0.000 0.217 26 D C -0.042 176.467 176.300 0.348 0.000 1.159 26 D CA -0.064 54.077 54.000 0.234 0.000 0.828 26 D CB 0.532 41.364 40.800 0.053 0.000 1.039 26 D HN 0.324 nan 8.370 nan 0.000 0.512 27 T N 0.493 115.298 114.554 0.420 0.000 2.952 27 T HA 0.544 4.895 4.350 0.001 0.000 0.305 27 T C -0.525 174.213 174.700 0.064 0.000 1.064 27 T CA -0.633 61.615 62.100 0.247 0.000 1.008 27 T CB 2.044 70.936 68.868 0.039 0.000 1.078 27 T HN -0.038 nan 8.240 nan 0.000 0.459 28 M N 2.241 121.789 119.600 -0.086 0.000 2.591 28 M HA 0.550 5.031 4.480 0.001 0.000 0.306 28 M C -1.684 174.240 176.300 -0.627 0.000 1.190 28 M CA -0.905 54.200 55.300 -0.325 0.000 0.889 28 M CB 2.478 34.907 32.600 -0.285 0.000 1.728 28 M HN 0.616 nan 8.290 nan 0.000 0.458 29 Y N -0.073 120.098 120.300 -0.216 0.000 2.350 29 Y HA 0.786 5.337 4.550 0.001 0.000 0.338 29 Y C 0.435 176.129 175.900 -0.343 0.000 0.961 29 Y CA -0.554 57.416 58.100 -0.215 0.000 1.100 29 Y CB 2.127 40.501 38.460 -0.143 0.000 1.179 29 Y HN 0.811 nan 8.280 nan 0.000 0.454 30 G N 0.584 109.255 108.800 -0.215 0.000 2.554 30 G HA2 0.631 4.592 3.960 0.001 0.000 0.306 30 G HA3 0.631 4.592 3.960 0.001 0.000 0.306 30 G C -2.210 172.899 174.900 0.349 0.000 1.320 30 G CA -0.815 44.341 45.100 0.094 0.000 0.800 30 G HN 0.400 nan 8.290 nan 0.000 0.481 31 V N 0.532 120.667 119.914 0.367 0.000 2.733 31 V HA 0.623 4.743 4.120 0.001 0.000 0.306 31 V C 0.654 176.911 176.094 0.272 0.000 1.084 31 V CA -0.483 62.016 62.300 0.332 0.000 0.905 31 V CB 1.074 33.023 31.823 0.211 0.000 1.010 31 V HN 1.235 nan 8.190 nan 0.000 0.424 32 V N 1.899 121.948 119.914 0.225 0.000 3.665 32 V HA 1.114 5.234 4.120 0.001 0.000 0.279 32 V C 0.547 176.697 176.094 0.094 0.000 1.000 32 V CA 0.320 62.688 62.300 0.114 0.000 0.935 32 V CB 1.036 32.871 31.823 0.020 0.000 1.240 32 V HN 2.113 nan 8.190 nan 0.000 0.418 33 G N -0.969 107.869 108.800 0.063 0.000 2.381 33 G HA2 0.033 3.993 3.960 0.001 0.000 0.672 33 G HA3 0.033 3.993 3.960 0.001 0.000 0.672 33 G C -0.889 174.065 174.900 0.090 0.000 1.324 33 G CA -0.560 44.588 45.100 0.081 0.000 0.975 33 G HN 1.093 nan 8.290 nan 0.000 0.593 34 I N 1.732 122.377 120.570 0.125 0.000 2.710 34 I HA 0.215 4.386 4.170 0.001 0.000 0.286 34 I C -1.136 175.106 176.117 0.208 0.000 1.181 34 I CA -0.951 60.433 61.300 0.141 0.000 1.430 34 I CB 1.184 39.254 38.000 0.115 0.000 1.367 34 I HN 0.354 nan 8.210 nan 0.000 0.577 35 P HA 0.182 nan 4.420 nan 0.000 0.274 35 P C 0.327 177.652 177.300 0.042 0.000 1.673 35 P CA 0.001 63.182 63.100 0.136 0.000 1.193 35 P CB -0.097 31.729 31.700 0.210 0.000 1.571 36 I N -5.461 115.110 120.570 0.003 0.000 4.025 36 I HA 0.276 4.447 4.170 0.001 0.000 0.336 36 I C 1.288 177.325 176.117 -0.134 0.000 1.390 36 I CA 0.076 61.304 61.300 -0.119 0.000 1.099 36 I CB -0.953 37.036 38.000 -0.017 0.000 1.049 36 I HN -0.380 nan 8.210 nan 0.000 0.394 37 T N 1.291 115.789 114.554 -0.093 0.000 2.708 37 T HA -0.103 4.247 4.350 0.001 0.000 0.266 37 T C 1.685 176.269 174.700 -0.193 0.000 1.037 37 T CA 2.035 64.061 62.100 -0.124 0.000 1.146 37 T CB -0.403 68.421 68.868 -0.073 0.000 0.865 37 T HN 0.451 nan 8.240 nan 0.000 0.435 38 N N 1.150 119.726 118.700 -0.208 0.000 2.396 38 N HA 0.004 4.745 4.740 0.001 0.000 0.180 38 N C 1.787 177.054 175.510 -0.405 0.000 1.028 38 N CA 0.410 53.256 53.050 -0.340 0.000 0.893 38 N CB -0.296 37.911 38.487 -0.466 0.000 0.967 38 N HN 0.234 nan 8.380 nan 0.000 0.440 39 L N 1.503 122.575 121.223 -0.253 0.000 2.017 39 L HA -0.037 4.303 4.340 0.001 0.000 0.208 39 L C 2.217 179.002 176.870 -0.141 0.000 1.073 39 L CA 1.517 56.282 54.840 -0.124 0.000 0.745 39 L CB -0.908 41.042 42.059 -0.181 0.000 0.894 39 L HN 0.073 nan 8.230 nan 0.000 0.432 40 A N -0.204 122.444 122.820 -0.288 0.000 1.883 40 A HA -0.242 4.079 4.320 0.001 0.000 0.217 40 A C 2.419 179.827 177.584 -0.293 0.000 1.186 40 A CA 1.996 53.715 52.037 -0.531 0.000 0.624 40 A CB -0.602 17.861 19.000 -0.896 0.000 0.822 40 A HN 0.533 nan 8.150 nan 0.000 0.444 41 R N -1.155 119.207 120.500 -0.229 0.000 2.083 41 R HA -0.102 4.238 4.340 0.001 0.000 0.237 41 R C 2.295 178.552 176.300 -0.071 0.000 1.137 41 R CA 1.898 57.913 56.100 -0.141 0.000 0.951 41 R CB -0.422 29.785 30.300 -0.155 0.000 0.851 41 R HN 0.558 nan 8.270 nan 0.000 0.434 42 M N -0.658 118.894 119.600 -0.080 0.000 2.229 42 M HA -0.180 4.300 4.480 0.001 0.000 0.264 42 M C 2.090 178.462 176.300 0.119 0.000 1.063 42 M CA 1.289 56.584 55.300 -0.008 0.000 1.114 42 M CB -0.304 32.250 32.600 -0.076 0.000 1.387 42 M HN 0.379 nan 8.290 nan 0.000 0.420 43 W N 1.747 123.016 121.300 -0.052 0.000 2.318 43 W HA -0.286 4.374 4.660 0.001 0.000 0.313 43 W C 1.922 178.443 176.519 0.003 0.000 1.221 43 W CA 1.804 59.151 57.345 0.003 0.000 1.266 43 W CB -0.243 29.233 29.460 0.025 0.000 1.150 43 W HN 0.331 nan 8.180 nan 0.000 0.496 44 Q N -0.275 119.565 119.800 0.066 0.000 2.083 44 Q HA -0.180 4.161 4.340 0.001 0.000 0.198 44 Q C 1.706 177.664 176.000 -0.071 0.000 0.969 44 Q CA 1.498 57.281 55.803 -0.033 0.000 0.838 44 Q CB -0.479 28.274 28.738 0.026 0.000 0.900 44 Q HN 0.162 nan 8.270 nan 0.000 0.436 45 D N 1.221 121.596 120.400 -0.042 0.000 2.116 45 D HA -0.194 4.447 4.640 0.001 0.000 0.193 45 D C 1.367 177.630 176.300 -0.062 0.000 0.998 45 D CA 1.480 55.455 54.000 -0.042 0.000 0.836 45 D CB -0.354 40.433 40.800 -0.022 0.000 0.951 45 D HN 0.231 nan 8.370 nan 0.000 0.449 46 D N -1.132 119.222 120.400 -0.076 0.000 2.218 46 D HA -0.034 4.607 4.640 0.001 0.000 0.204 46 D C 1.182 177.377 176.300 -0.174 0.000 0.976 46 D CA 1.701 55.633 54.000 -0.112 0.000 0.853 46 D CB 0.052 40.783 40.800 -0.115 0.000 0.939 46 D HN 0.303 nan 8.370 nan 0.000 0.481 47 G N -0.766 107.903 108.800 -0.219 0.000 2.147 47 G HA2 -0.150 3.810 3.960 0.001 0.000 0.128 47 G HA3 -0.150 3.810 3.960 0.001 0.000 0.128 47 G C -0.196 174.527 174.900 -0.295 0.000 1.026 47 G CA -0.333 44.643 45.100 -0.206 0.000 0.693 47 G HN 0.208 nan 8.290 nan 0.000 0.499 48 Q N -0.050 119.453 119.800 -0.495 0.000 2.241 48 Q HA 0.563 4.904 4.340 0.001 0.000 0.262 48 Q C 0.305 176.084 176.000 -0.368 0.000 1.014 48 Q CA -0.665 54.740 55.803 -0.665 0.000 0.885 48 Q CB 1.279 28.982 28.738 -1.724 0.000 1.311 48 Q HN 0.427 nan 8.270 nan 0.000 0.461 49 R N 0.597 121.021 120.500 -0.128 0.000 2.308 49 R HA 0.420 4.761 4.340 0.001 0.000 0.305 49 R C -0.729 175.699 176.300 0.213 0.000 1.053 49 R CA -0.162 55.908 56.100 -0.049 0.000 0.957 49 R CB 0.524 30.729 30.300 -0.159 0.000 1.022 49 R HN 0.386 nan 8.270 nan 0.000 0.461 50 F N 2.938 122.848 119.950 -0.067 0.000 2.493 50 F HA 0.316 4.844 4.527 0.002 0.000 0.329 50 F C -1.177 174.474 175.800 -0.249 0.000 1.126 50 F CA -0.891 57.102 58.000 -0.010 0.000 0.937 50 F CB 1.068 40.164 39.000 0.159 0.000 1.146 50 F HN 0.382 nan 8.300 nan 0.000 0.442 51 Y N 3.736 123.773 120.300 -0.438 0.000 2.434 51 Y HA 0.363 4.913 4.550 0.001 0.000 0.341 51 Y C 0.454 176.298 175.900 -0.094 0.000 0.965 51 Y CA -0.500 57.380 58.100 -0.367 0.000 1.205 51 Y CB 1.245 39.524 38.460 -0.302 0.000 1.121 51 Y HN 0.405 nan 8.280 nan 0.000 0.507 52 S N 4.056 119.983 115.700 0.379 0.000 2.545 52 S HA 0.464 4.934 4.470 0.001 0.000 0.275 52 S C -0.543 174.279 174.600 0.370 0.000 1.299 52 S CA -0.367 58.134 58.200 0.502 0.000 1.048 52 S CB 0.256 63.764 63.200 0.513 0.000 0.938 52 S HN 0.389 nan 8.310 nan 0.000 0.496 53 F N 1.296 121.395 119.950 0.249 0.000 2.611 53 F HA 0.534 5.062 4.527 0.001 0.000 0.374 53 F C 1.583 177.491 175.800 0.181 0.000 1.110 53 F CA -0.979 57.151 58.000 0.216 0.000 1.090 53 F CB 0.760 39.876 39.000 0.194 0.000 1.388 53 F HN 0.309 nan 8.300 nan 0.000 0.501 54 R N -0.340 120.381 120.500 0.369 0.000 2.280 54 R HA 0.116 4.456 4.340 0.001 0.000 0.195 54 R C -0.303 176.180 176.300 0.305 0.000 0.935 54 R CA 0.490 56.742 56.100 0.252 0.000 1.033 54 R CB -0.470 29.924 30.300 0.157 0.000 0.964 54 R HN 0.479 nan 8.270 nan 0.000 0.489 55 H N -0.404 118.813 119.070 0.245 0.000 3.085 55 H HA 0.165 4.722 4.556 0.001 0.000 0.356 55 H C -0.305 175.038 175.328 0.024 0.000 1.178 55 H CA -0.252 55.870 56.048 0.124 0.000 1.214 55 H CB 1.718 31.566 29.762 0.144 0.000 1.881 55 H HN -0.219 nan 8.280 nan 0.000 0.538 56 E N 1.956 122.191 120.200 0.060 0.000 2.274 56 E HA -0.118 4.233 4.350 0.001 0.000 0.194 56 E C 1.843 178.357 176.600 -0.145 0.000 0.996 56 E CA 0.821 57.201 56.400 -0.034 0.000 0.840 56 E CB 0.284 29.938 29.700 -0.076 0.000 0.772 56 E HN 0.584 nan 8.360 nan 0.000 0.491 57 Q N 0.056 119.809 119.800 -0.078 0.000 2.096 57 Q HA -0.231 4.110 4.340 0.001 0.000 0.204 57 Q C 1.485 177.030 176.000 -0.758 0.000 0.982 57 Q CA 1.475 56.935 55.803 -0.571 0.000 0.850 57 Q CB 0.039 28.279 28.738 -0.829 0.000 0.901 57 Q HN 0.474 nan 8.270 nan 0.000 0.422 58 H N -0.981 117.961 119.070 -0.214 0.000 2.448 58 H HA 0.113 4.669 4.556 0.001 0.000 0.292 58 H C 1.930 176.930 175.328 -0.547 0.000 1.035 58 H CA 0.955 56.920 56.048 -0.139 0.000 1.349 58 H CB -0.215 29.610 29.762 0.105 0.000 1.425 58 H HN 0.415 nan 8.280 nan 0.000 0.539 59 A N 1.072 123.394 122.820 -0.830 0.000 1.940 59 A HA -0.117 4.203 4.320 0.001 0.000 0.219 59 A C 2.778 180.020 177.584 -0.570 0.000 1.176 59 A CA 1.748 53.054 52.037 -1.217 0.000 0.631 59 A CB -1.078 17.523 19.000 -0.664 0.000 0.814 59 A HN 0.461 nan 8.150 nan 0.000 0.446 60 G N -1.981 106.581 108.800 -0.397 0.000 2.396 60 G HA2 -0.096 3.865 3.960 0.001 0.000 0.214 60 G HA3 -0.096 3.865 3.960 0.001 0.000 0.214 60 G C 1.409 176.218 174.900 -0.150 0.000 1.166 60 G CA 0.943 45.885 45.100 -0.264 0.000 0.793 60 G HN 0.470 nan 8.290 nan 0.000 0.533 61 Y N 1.599 121.842 120.300 -0.095 0.000 2.207 61 Y HA -0.017 4.533 4.550 0.001 0.000 0.287 61 Y C 3.081 179.038 175.900 0.095 0.000 1.156 61 Y CA 0.255 58.390 58.100 0.058 0.000 1.182 61 Y CB -0.824 37.627 38.460 -0.015 0.000 0.979 61 Y HN 0.269 nan 8.280 nan 0.000 0.521 62 A N 0.132 122.936 122.820 -0.027 0.000 1.858 62 A HA -0.135 4.185 4.320 0.001 0.000 0.216 62 A C 2.562 179.819 177.584 -0.545 0.000 1.190 62 A CA 2.141 53.959 52.037 -0.365 0.000 0.617 62 A CB -1.346 17.220 19.000 -0.723 0.000 0.827 62 A HN 0.380 nan 8.150 nan 0.000 0.443 63 A N 0.324 122.865 122.820 -0.465 0.000 1.917 63 A HA -0.192 4.128 4.320 0.001 0.000 0.219 63 A C 2.565 180.145 177.584 -0.007 0.000 1.182 63 A CA 2.908 54.873 52.037 -0.120 0.000 0.633 63 A CB -1.184 17.849 19.000 0.055 0.000 0.819 63 A HN 1.139 nan 8.150 nan 0.000 0.448 64 S N -0.547 115.195 115.700 0.070 0.000 2.356 64 S HA -0.157 4.313 4.470 0.001 0.000 0.223 64 S C 1.812 176.404 174.600 -0.013 0.000 1.032 64 S CA 1.613 59.935 58.200 0.204 0.000 1.005 64 S CB -0.506 62.996 63.200 0.503 0.000 0.867 64 S HN 0.376 nan 8.310 nan 0.000 0.449 65 I N 2.140 122.582 120.570 -0.214 0.000 2.761 65 I HA 0.256 4.426 4.170 0.001 0.000 0.261 65 I C 2.509 178.457 176.117 -0.282 0.000 1.198 65 I CA 0.344 61.326 61.300 -0.529 0.000 1.482 65 I CB -0.769 36.597 38.000 -1.056 0.000 1.100 65 I HN 0.381 nan 8.210 nan 0.000 0.445 66 A N 0.137 122.855 122.820 -0.170 0.000 1.933 66 A HA -0.091 4.230 4.320 0.001 0.000 0.218 66 A C 2.429 180.019 177.584 0.010 0.000 1.175 66 A CA 1.661 53.677 52.037 -0.034 0.000 0.628 66 A CB -1.571 17.489 19.000 0.100 0.000 0.814 66 A HN 0.446 nan 8.150 nan 0.000 0.444 67 G N -1.483 107.338 108.800 0.035 0.000 2.421 67 G HA2 -0.288 3.673 3.960 0.001 0.000 0.216 67 G HA3 -0.288 3.673 3.960 0.001 0.000 0.216 67 G C 1.542 176.528 174.900 0.143 0.000 1.171 67 G CA 1.298 46.461 45.100 0.105 0.000 0.775 67 G HN 0.584 nan 8.290 nan 0.000 0.543 68 Y N 1.380 121.571 120.300 -0.182 0.000 2.081 68 Y HA -0.171 4.380 4.550 0.001 0.000 0.280 68 Y C 2.588 178.460 175.900 -0.046 0.000 1.163 68 Y CA 1.780 59.770 58.100 -0.184 0.000 1.135 68 Y CB -0.329 37.554 38.460 -0.961 0.000 0.970 68 Y HN 0.198 nan 8.280 nan 0.000 0.498 69 I N 0.029 120.463 120.570 -0.225 0.000 2.252 69 I HA -0.258 3.913 4.170 0.001 0.000 0.245 69 I C 2.161 178.133 176.117 -0.242 0.000 1.102 69 I CA 1.919 63.047 61.300 -0.286 0.000 1.385 69 I CB -0.336 37.585 38.000 -0.132 0.000 1.064 69 I HN 0.315 nan 8.210 nan 0.000 0.414 70 E N 0.042 120.160 120.200 -0.137 0.000 2.276 70 E HA 0.073 4.424 4.350 0.001 0.000 0.193 70 E C 1.430 177.946 176.600 -0.139 0.000 0.983 70 E CA 0.601 56.937 56.400 -0.106 0.000 0.861 70 E CB 0.300 29.986 29.700 -0.023 0.000 0.817 70 E HN 0.532 nan 8.360 nan 0.000 0.485 71 G N 2.745 111.474 108.800 -0.119 0.000 2.160 71 G HA2 -0.323 3.637 3.960 0.001 0.000 0.251 71 G HA3 -0.323 3.637 3.960 0.001 0.000 0.251 71 G C 0.066 174.987 174.900 0.035 0.000 1.008 71 G CA 1.057 46.087 45.100 -0.116 0.000 0.724 71 G HN 0.330 nan 8.290 nan 0.000 0.514 72 K N -0.828 119.611 120.400 0.064 0.000 2.385 72 K HA 0.754 5.074 4.320 0.001 0.000 0.248 72 K C -3.263 173.406 176.600 0.115 0.000 0.955 72 K CA -2.562 53.778 56.287 0.087 0.000 0.816 72 K CB 2.661 35.198 32.500 0.061 0.000 1.250 72 K HN -0.061 nan 8.250 nan 0.000 0.434 73 P HA 0.063 nan 4.420 nan 0.000 0.267 73 P C -0.200 177.181 177.300 0.135 0.000 1.209 73 P CA 0.030 63.207 63.100 0.129 0.000 0.763 73 P CB 0.761 32.530 31.700 0.115 0.000 0.816 74 G N 2.893 111.782 108.800 0.149 0.000 2.340 74 G HA2 0.312 4.273 3.960 0.001 0.000 0.245 74 G HA3 0.312 4.273 3.960 0.001 0.000 0.245 74 G C -0.504 174.503 174.900 0.178 0.000 1.294 74 G CA -0.183 45.030 45.100 0.190 0.000 0.896 74 G HN 0.361 nan 8.290 nan 0.000 0.522 75 V N 2.678 122.712 119.914 0.199 0.000 2.357 75 V HA 0.338 4.458 4.120 0.001 0.000 0.284 75 V C 0.153 176.327 176.094 0.133 0.000 1.018 75 V CA -1.014 61.356 62.300 0.117 0.000 0.841 75 V CB 1.072 32.911 31.823 0.027 0.000 0.991 75 V HN 0.922 nan 8.190 nan 0.000 0.437 76 C N 7.226 126.592 119.300 0.109 0.000 2.355 76 C HA 0.843 5.304 4.460 0.001 0.000 0.332 76 C C -0.551 174.494 174.990 0.093 0.000 1.255 76 C CA -0.573 58.497 59.018 0.086 0.000 1.792 76 C CB 0.654 28.421 27.740 0.044 0.000 2.300 76 C HN 0.857 nan 8.230 nan 0.000 0.515 77 L N 6.540 127.831 121.223 0.114 0.000 2.333 77 L HA 0.822 5.163 4.340 0.001 0.000 0.280 77 L C 0.313 177.303 176.870 0.200 0.000 1.004 77 L CA 0.562 55.510 54.840 0.180 0.000 0.820 77 L CB 1.957 44.175 42.059 0.266 0.000 1.247 77 L HN 1.001 nan 8.230 nan 0.000 0.416 78 T N 1.817 116.486 114.554 0.192 0.000 2.838 78 T HA 0.738 5.088 4.350 0.001 0.000 0.292 78 T C 0.079 174.888 174.700 0.183 0.000 1.113 78 T CA -0.143 62.062 62.100 0.175 0.000 1.008 78 T CB 1.025 69.979 68.868 0.144 0.000 1.259 78 T HN 0.714 nan 8.240 nan 0.000 0.520 79 V N 0.265 120.272 119.914 0.155 0.000 3.596 79 V HA 0.685 4.806 4.120 0.001 0.000 0.288 79 V C 0.880 177.074 176.094 0.167 0.000 1.021 79 V CA -0.275 62.116 62.300 0.153 0.000 1.020 79 V CB 0.040 31.937 31.823 0.124 0.000 1.243 79 V HN 1.257 nan 8.190 nan 0.000 0.433 80 S N 0.292 116.070 115.700 0.130 0.000 2.625 80 S HA 0.500 4.970 4.470 0.001 0.000 0.258 80 S C 1.619 176.265 174.600 0.077 0.000 1.256 80 S CA 0.034 58.288 58.200 0.090 0.000 0.983 80 S CB -0.216 63.011 63.200 0.045 0.000 1.032 80 S HN 2.034 nan 8.310 nan 0.000 0.572 81 A N 2.338 125.182 122.820 0.040 0.000 2.028 81 A HA -0.275 4.045 4.320 0.001 0.000 0.296 81 A C 0.189 177.832 177.584 0.099 0.000 3.464 81 A CA 2.717 54.800 52.037 0.077 0.000 1.008 81 A CB -2.959 16.028 19.000 -0.022 0.000 0.658 81 A HN 0.798 nan 8.150 nan 0.000 0.482 82 P HA -0.081 nan 4.420 nan 0.000 0.217 82 P C 1.681 178.955 177.300 -0.043 0.000 1.150 82 P CA 2.094 65.176 63.100 -0.030 0.000 0.832 82 P CB -0.635 31.028 31.700 -0.061 0.000 0.787 83 G N -0.262 108.535 108.800 -0.006 0.000 2.404 83 G HA2 -0.249 3.712 3.960 0.001 0.000 0.214 83 G HA3 -0.249 3.712 3.960 0.001 0.000 0.214 83 G C 1.396 176.300 174.900 0.007 0.000 1.189 83 G CA 0.486 45.577 45.100 -0.014 0.000 0.789 83 G HN 0.189 nan 8.290 nan 0.000 0.533 84 F N 1.333 121.262 119.950 -0.035 0.000 2.063 84 F HA -0.212 4.316 4.527 0.001 0.000 0.298 84 F C 2.233 177.970 175.800 -0.106 0.000 1.105 84 F CA 1.868 59.838 58.000 -0.051 0.000 1.215 84 F CB -0.621 38.346 39.000 -0.054 0.000 0.972 84 F HN 0.109 nan 8.300 nan 0.000 0.483 85 L N 1.342 122.316 121.223 -0.414 0.000 2.042 85 L HA -0.262 4.078 4.340 0.001 0.000 0.210 85 L C 2.168 178.789 176.870 -0.414 0.000 1.076 85 L CA 1.947 56.473 54.840 -0.522 0.000 0.749 85 L CB -1.236 40.729 42.059 -0.157 0.000 0.893 85 L HN 0.216 nan 8.230 nan 0.000 0.432 86 N N -0.312 118.229 118.700 -0.266 0.000 2.084 86 N HA -0.116 4.624 4.740 0.001 0.000 0.190 86 N C 1.791 177.142 175.510 -0.266 0.000 1.030 86 N CA 1.464 54.402 53.050 -0.187 0.000 0.849 86 N CB -0.836 37.566 38.487 -0.141 0.000 1.012 86 N HN 0.480 nan 8.380 nan 0.000 0.423 87 G N 0.600 109.231 108.800 -0.282 0.000 2.422 87 G HA2 -0.175 3.785 3.960 0.001 0.000 0.218 87 G HA3 -0.175 3.785 3.960 0.001 0.000 0.218 87 G C 1.624 176.322 174.900 -0.338 0.000 1.146 87 G CA 0.480 45.416 45.100 -0.274 0.000 0.769 87 G HN 0.250 nan 8.290 nan 0.000 0.547 88 V N 1.804 121.398 119.914 -0.533 0.000 2.759 88 V HA -0.140 3.980 4.120 0.001 0.000 0.256 88 V C 3.294 179.141 176.094 -0.411 0.000 1.080 88 V CA 2.595 64.576 62.300 -0.531 0.000 1.101 88 V CB -0.549 30.733 31.823 -0.902 0.000 0.698 88 V HN 0.666 nan 8.190 nan 0.000 0.477 89 T N -3.078 111.242 114.554 -0.389 0.000 2.833 89 T HA -0.156 4.195 4.350 0.001 0.000 0.269 89 T C 1.894 176.500 174.700 -0.156 0.000 1.054 89 T CA 1.878 63.814 62.100 -0.274 0.000 1.135 89 T CB -0.383 68.340 68.868 -0.242 0.000 0.869 89 T HN 0.483 nan 8.240 nan 0.000 0.466 90 S N 1.354 116.889 115.700 -0.274 0.000 2.388 90 S HA 0.168 4.638 4.470 0.001 0.000 0.223 90 S C 1.798 176.425 174.600 0.045 0.000 1.034 90 S CA 0.496 58.563 58.200 -0.221 0.000 0.963 90 S CB -0.592 62.298 63.200 -0.516 0.000 0.827 90 S HN 0.289 nan 8.310 nan 0.000 0.481 91 L N 2.495 123.704 121.223 -0.023 0.000 2.034 91 L HA -0.223 4.118 4.340 0.001 0.000 0.217 91 L C 2.470 179.369 176.870 0.048 0.000 1.077 91 L CA 2.061 56.922 54.840 0.035 0.000 0.769 91 L CB -1.109 40.964 42.059 0.024 0.000 0.890 91 L HN 0.301 nan 8.230 nan 0.000 0.435 92 A N -1.502 121.347 122.820 0.048 0.000 1.892 92 A HA -0.363 3.957 4.320 0.001 0.000 0.218 92 A C 2.269 179.818 177.584 -0.059 0.000 1.188 92 A CA 2.146 54.247 52.037 0.107 0.000 0.631 92 A CB -1.142 17.982 19.000 0.206 0.000 0.822 92 A HN 0.772 nan 8.150 nan 0.000 0.447 93 H N -0.171 118.893 119.070 -0.011 0.000 2.321 93 H HA 0.017 4.573 4.556 0.001 0.000 0.300 93 H C 2.174 177.394 175.328 -0.180 0.000 1.087 93 H CA 2.209 58.203 56.048 -0.088 0.000 1.319 93 H CB -0.379 29.561 29.762 0.297 0.000 1.379 93 H HN 0.393 nan 8.280 nan 0.000 0.501 94 A N -0.229 122.556 122.820 -0.058 0.000 1.859 94 A HA -0.258 4.062 4.320 0.001 0.000 0.217 94 A C 2.546 179.949 177.584 -0.302 0.000 1.198 94 A CA 2.620 54.599 52.037 -0.097 0.000 0.629 94 A CB -1.363 17.705 19.000 0.113 0.000 0.830 94 A HN 0.619 nan 8.150 nan 0.000 0.446 95 T N -0.118 114.306 114.554 -0.217 0.000 2.684 95 T HA -0.145 4.205 4.350 0.001 0.000 0.267 95 T C 1.980 176.459 174.700 -0.368 0.000 1.036 95 T CA 2.035 64.004 62.100 -0.219 0.000 1.148 95 T CB -0.733 68.066 68.868 -0.116 0.000 0.863 95 T HN 0.599 nan 8.240 nan 0.000 0.436 96 T N 2.227 116.451 114.554 -0.551 0.000 2.833 96 T HA -0.071 4.280 4.350 0.001 0.000 0.269 96 T C 1.799 176.098 174.700 -0.668 0.000 1.054 96 T CA 0.872 62.553 62.100 -0.699 0.000 1.135 96 T CB -0.209 67.886 68.868 -1.288 0.000 0.869 96 T HN 0.374 nan 8.240 nan 0.000 0.466 97 N N -0.125 118.061 118.700 -0.856 0.000 2.353 97 N HA 0.054 4.794 4.740 0.001 0.000 0.185 97 N C 0.106 175.021 175.510 -0.992 0.000 1.098 97 N CA 0.294 52.697 53.050 -1.079 0.000 0.872 97 N CB 0.017 37.422 38.487 -1.804 0.000 0.970 97 N HN 0.324 nan 8.380 nan 0.000 0.467 98 C N 1.016 119.923 119.300 -0.655 0.000 4.614 98 C HA -0.169 4.292 4.460 0.001 0.000 0.300 98 C C -0.605 174.254 174.990 -0.219 0.000 1.301 98 C CA -0.581 58.211 59.018 -0.377 0.000 2.073 98 C CB -3.154 24.410 27.740 -0.293 0.000 1.219 98 C HN 0.129 nan 8.230 nan 0.000 0.772 99 F N 1.951 121.782 119.950 -0.198 0.000 2.415 99 F HA 0.519 5.047 4.527 0.001 0.000 0.348 99 F C -1.412 174.358 175.800 -0.049 0.000 1.119 99 F CA -3.396 54.535 58.000 -0.115 0.000 1.069 99 F CB 0.592 39.566 39.000 -0.043 0.000 1.124 99 F HN -0.030 nan 8.300 nan 0.000 0.472 100 P HA 0.159 nan 4.420 nan 0.000 0.271 100 P C -0.590 176.808 177.300 0.163 0.000 1.233 100 P CA 0.047 63.242 63.100 0.157 0.000 0.764 100 P CB 1.074 32.892 31.700 0.196 0.000 0.825 101 M N 4.494 124.178 119.600 0.140 0.000 2.413 101 M HA 0.449 4.930 4.480 0.001 0.000 0.287 101 M C -1.997 174.381 176.300 0.130 0.000 1.186 101 M CA -0.892 54.491 55.300 0.138 0.000 0.927 101 M CB 2.138 34.826 32.600 0.147 0.000 1.715 101 M HN 0.100 nan 8.290 nan 0.000 0.478 102 I N 4.856 125.503 120.570 0.128 0.000 2.389 102 I HA 0.341 4.511 4.170 0.001 0.000 0.288 102 I C -1.160 175.041 176.117 0.141 0.000 0.999 102 I CA -0.958 60.421 61.300 0.132 0.000 1.129 102 I CB 1.909 39.972 38.000 0.106 0.000 1.288 102 I HN 0.560 nan 8.210 nan 0.000 0.444 103 L N 8.462 129.801 121.223 0.193 0.000 2.255 103 L HA 0.497 4.838 4.340 0.001 0.000 0.289 103 L C -0.999 176.033 176.870 0.270 0.000 1.046 103 L CA 0.033 55.017 54.840 0.240 0.000 0.816 103 L CB 0.628 42.862 42.059 0.291 0.000 1.197 103 L HN 0.441 nan 8.230 nan 0.000 0.427 104 L N 4.998 126.331 121.223 0.184 0.000 2.275 104 L HA 0.595 4.935 4.340 0.001 0.000 0.288 104 L C -0.033 176.980 176.870 0.237 0.000 1.046 104 L CA -0.125 54.797 54.840 0.137 0.000 0.805 104 L CB 1.340 43.448 42.059 0.082 0.000 1.193 104 L HN 0.661 nan 8.230 nan 0.000 0.426 105 S N 1.125 116.992 115.700 0.277 0.000 2.571 105 S HA 0.531 5.002 4.470 0.001 0.000 0.284 105 S C 0.151 174.896 174.600 0.241 0.000 1.128 105 S CA -0.771 57.630 58.200 0.334 0.000 0.970 105 S CB 1.888 65.417 63.200 0.549 0.000 1.039 105 S HN 0.781 nan 8.310 nan 0.000 0.485 106 G N 1.959 110.904 108.800 0.243 0.000 2.484 106 G HA2 0.433 4.393 3.960 0.001 0.000 0.235 106 G HA3 0.433 4.393 3.960 0.001 0.000 0.235 106 G C 0.083 175.080 174.900 0.162 0.000 1.282 106 G CA -0.027 45.219 45.100 0.244 0.000 0.857 106 G HN 0.869 nan 8.290 nan 0.000 0.571 107 S N 0.254 116.022 115.700 0.114 0.000 2.661 107 S HA 0.789 5.259 4.470 0.001 0.000 0.285 107 S C 0.208 174.851 174.600 0.071 0.000 1.138 107 S CA -0.545 57.692 58.200 0.060 0.000 0.855 107 S CB 1.864 65.067 63.200 0.005 0.000 1.136 107 S HN 0.593 nan 8.310 nan 0.000 0.484 108 S N 0.188 115.923 115.700 0.057 0.000 2.307 108 S HA 0.382 4.853 4.470 0.001 0.000 0.252 108 S C -0.143 174.483 174.600 0.044 0.000 1.204 108 S CA -0.650 57.599 58.200 0.082 0.000 1.018 108 S CB -0.178 63.080 63.200 0.097 0.000 1.077 108 S HN 0.852 nan 8.310 nan 0.000 0.454 109 E N 0.434 120.661 120.200 0.044 0.000 2.130 109 E HA 0.235 4.586 4.350 0.001 0.000 0.284 109 E C 0.762 177.368 176.600 0.009 0.000 1.018 109 E CA -0.367 56.047 56.400 0.022 0.000 0.817 109 E CB 0.690 30.407 29.700 0.028 0.000 1.078 109 E HN 0.415 nan 8.360 nan 0.000 0.396 110 R N 3.929 124.426 120.500 -0.004 0.000 2.113 110 R HA -0.240 4.101 4.340 0.001 0.000 0.244 110 R C 1.221 177.518 176.300 -0.004 0.000 1.142 110 R CA 2.503 58.598 56.100 -0.009 0.000 0.953 110 R CB 0.008 30.298 30.300 -0.017 0.000 0.860 110 R HN 0.688 nan 8.270 nan 0.000 0.438 111 E N -0.414 119.785 120.200 -0.001 0.000 2.077 111 E HA -0.186 4.165 4.350 0.001 0.000 0.193 111 E C 2.041 178.644 176.600 0.005 0.000 0.989 111 E CA 1.669 58.069 56.400 0.001 0.000 0.800 111 E CB -0.156 29.545 29.700 0.002 0.000 0.746 111 E HN 0.457 nan 8.360 nan 0.000 0.452 112 I N 0.435 121.010 120.570 0.010 0.000 2.339 112 I HA -0.168 4.003 4.170 0.001 0.000 0.245 112 I C 2.349 178.473 176.117 0.012 0.000 1.096 112 I CA 0.382 61.691 61.300 0.014 0.000 1.408 112 I CB -0.145 37.869 38.000 0.024 0.000 1.092 112 I HN -0.049 nan 8.210 nan 0.000 0.423 113 V N 1.194 121.114 119.914 0.010 0.000 2.282 113 V HA -0.323 3.797 4.120 0.001 0.000 0.249 113 V C 1.999 178.093 176.094 -0.001 0.000 1.057 113 V CA 2.159 64.461 62.300 0.003 0.000 1.032 113 V CB -0.723 31.099 31.823 -0.002 0.000 0.645 113 V HN 0.391 nan 8.190 nan 0.000 0.447 114 D N -0.256 120.143 120.400 -0.001 0.000 2.219 114 D HA -0.065 4.575 4.640 0.001 0.000 0.205 114 D C 1.790 178.090 176.300 -0.000 0.000 0.970 114 D CA 1.010 55.009 54.000 -0.002 0.000 0.851 114 D CB -0.110 40.688 40.800 -0.003 0.000 0.943 114 D HN 0.362 nan 8.370 nan 0.000 0.488 115 L N -0.067 121.157 121.223 0.002 0.000 2.592 115 L HA 0.101 4.442 4.340 0.001 0.000 0.227 115 L C 0.045 176.917 176.870 0.004 0.000 1.127 115 L CA 0.097 54.938 54.840 0.003 0.000 0.884 115 L CB -0.102 41.960 42.059 0.004 0.000 1.065 115 L HN -0.067 nan 8.230 nan 0.000 0.457 116 Q N 0.024 119.826 119.800 0.004 0.000 2.451 116 Q HA -0.301 4.040 4.340 0.001 0.000 0.305 116 Q C 0.773 176.777 176.000 0.007 0.000 1.345 116 Q CA 0.411 56.217 55.803 0.004 0.000 0.854 116 Q CB -1.372 27.367 28.738 0.002 0.000 1.162 116 Q HN 0.596 nan 8.270 nan 0.000 0.440 117 Q N -0.584 119.222 119.800 0.010 0.000 2.424 117 Q HA 0.128 4.469 4.340 0.001 0.000 0.204 117 Q C 1.095 177.106 176.000 0.017 0.000 0.933 117 Q CA 0.606 56.417 55.803 0.013 0.000 0.929 117 Q CB 0.689 29.436 28.738 0.014 0.000 1.037 117 Q HN 0.659 nan 8.270 nan 0.000 0.511 118 G N 2.134 110.945 108.800 0.018 0.000 2.427 118 G HA2 -0.162 3.799 3.960 0.001 0.000 0.193 118 G HA3 -0.162 3.799 3.960 0.001 0.000 0.193 118 G C -0.635 174.288 174.900 0.038 0.000 1.086 118 G CA -0.222 44.892 45.100 0.023 0.000 0.818 118 G HN 0.208 nan 8.290 nan 0.000 0.490 119 D N -0.815 119.610 120.400 0.041 0.000 2.363 119 D HA 0.289 4.930 4.640 0.001 0.000 0.240 119 D C 0.789 177.151 176.300 0.103 0.000 1.236 119 D CA -0.240 53.804 54.000 0.073 0.000 0.927 119 D CB 0.274 41.112 40.800 0.063 0.000 1.150 119 D HN 0.278 nan 8.370 nan 0.000 0.458 120 Y N 1.699 122.009 120.300 0.017 0.000 2.729 120 Y HA 0.002 4.553 4.550 0.002 0.000 0.331 120 Y C 0.501 176.415 175.900 0.024 0.000 1.208 120 Y CA 0.349 58.461 58.100 0.021 0.000 1.521 120 Y CB -0.257 38.217 38.460 0.024 0.000 1.233 120 Y HN 0.512 nan 8.280 nan 0.000 0.539 121 E N 3.303 123.222 120.200 -0.468 0.000 2.246 121 E HA -0.356 3.995 4.350 0.001 0.000 0.173 121 E C -0.522 175.994 176.600 -0.140 0.000 1.532 121 E CA 0.813 56.989 56.400 -0.373 0.000 0.672 121 E CB -0.695 28.682 29.700 -0.538 0.000 1.078 121 E HN 0.714 nan 8.360 nan 0.000 0.338 122 E N 1.404 121.558 120.200 -0.077 0.000 2.223 122 E HA 0.419 4.770 4.350 0.001 0.000 0.282 122 E C -0.243 176.337 176.600 -0.032 0.000 1.046 122 E CA 0.020 56.401 56.400 -0.032 0.000 0.857 122 E CB 0.731 30.424 29.700 -0.011 0.000 1.055 122 E HN 0.325 nan 8.360 nan 0.000 0.409 123 M N 3.955 123.532 119.600 -0.038 0.000 2.523 123 M HA 0.121 4.601 4.480 0.001 0.000 0.287 123 M C -1.988 174.269 176.300 -0.072 0.000 1.160 123 M CA -0.747 54.527 55.300 -0.043 0.000 0.902 123 M CB 1.983 34.562 32.600 -0.035 0.000 1.752 123 M HN 0.316 nan 8.290 nan 0.000 0.504 124 D N 3.050 123.415 120.400 -0.059 0.000 2.483 124 D HA 0.193 4.834 4.640 0.001 0.000 0.220 124 D C 0.516 176.738 176.300 -0.129 0.000 1.173 124 D CA 0.378 54.338 54.000 -0.068 0.000 0.964 124 D CB 0.740 41.521 40.800 -0.031 0.000 1.046 124 D HN 0.671 nan 8.370 nan 0.000 0.517 125 Q N 2.307 121.945 119.800 -0.271 0.000 2.119 125 Q HA -0.130 4.211 4.340 0.001 0.000 0.201 125 Q C 1.980 177.733 176.000 -0.412 0.000 0.972 125 Q CA 0.896 56.268 55.803 -0.718 0.000 0.847 125 Q CB 0.143 28.201 28.738 -1.132 0.000 0.903 125 Q HN 0.557 nan 8.270 nan 0.000 0.433 126 M N 1.058 120.656 119.600 -0.005 0.000 2.082 126 M HA -0.252 4.229 4.480 0.001 0.000 0.258 126 M C 2.011 178.354 176.300 0.072 0.000 1.069 126 M CA 1.613 57.020 55.300 0.179 0.000 1.102 126 M CB -0.207 32.457 32.600 0.107 0.000 1.336 126 M HN 0.245 nan 8.290 nan 0.000 0.404 127 N N -0.324 118.384 118.700 0.013 0.000 2.270 127 N HA -0.110 4.630 4.740 0.001 0.000 0.181 127 N C 1.408 176.930 175.510 0.020 0.000 1.016 127 N CA 1.330 54.386 53.050 0.009 0.000 0.870 127 N CB 0.082 38.568 38.487 -0.001 0.000 0.979 127 N HN 0.277 nan 8.380 nan 0.000 0.431 128 V N 1.479 121.414 119.914 0.035 0.000 2.667 128 V HA -0.074 4.047 4.120 0.001 0.000 0.252 128 V C 2.445 178.657 176.094 0.197 0.000 1.065 128 V CA 1.512 63.883 62.300 0.119 0.000 1.083 128 V CB -0.654 31.286 31.823 0.196 0.000 0.692 128 V HN 0.391 nan 8.190 nan 0.000 0.468 129 A N -0.296 122.639 122.820 0.192 0.000 2.119 129 A HA -0.105 4.216 4.320 0.001 0.000 0.217 129 A C 2.322 179.956 177.584 0.084 0.000 1.153 129 A CA 0.820 52.979 52.037 0.204 0.000 0.692 129 A CB -0.397 18.658 19.000 0.091 0.000 0.799 129 A HN 0.482 nan 8.150 nan 0.000 0.458 130 R N -0.172 120.328 120.500 -0.000 0.000 2.081 130 R HA -0.107 4.234 4.340 0.001 0.000 0.235 130 R C -0.827 175.395 176.300 -0.129 0.000 1.131 130 R CA 1.628 57.696 56.100 -0.053 0.000 0.960 130 R CB -1.359 28.911 30.300 -0.051 0.000 0.856 130 R HN 0.415 nan 8.270 nan 0.000 0.436 131 P HA -0.076 nan 4.420 nan 0.000 0.234 131 P C 0.237 177.339 177.300 -0.330 0.000 1.167 131 P CA 1.218 64.100 63.100 -0.362 0.000 0.763 131 P CB 0.110 31.488 31.700 -0.536 0.000 0.835 132 H N -2.286 116.798 119.070 0.023 0.000 2.755 132 H HA 0.238 4.794 4.556 0.001 0.000 0.273 132 H C 0.858 176.188 175.328 0.003 0.000 1.055 132 H CA -0.099 55.965 56.048 0.026 0.000 1.191 132 H CB 0.050 29.823 29.762 0.019 0.000 1.536 132 H HN 0.253 nan 8.280 nan 0.000 0.529 133 C N -0.886 118.458 119.300 0.074 0.000 3.154 133 C HA 0.470 4.931 4.460 0.001 0.000 0.312 133 C C 1.676 176.659 174.990 -0.012 0.000 1.349 133 C CA -1.012 58.030 59.018 0.041 0.000 1.518 133 C CB 2.774 30.559 27.740 0.076 0.000 1.934 133 C HN 0.075 nan 8.230 nan 0.000 0.462 134 K N 0.756 121.145 120.400 -0.018 0.000 2.025 134 K HA 0.249 4.570 4.320 0.001 0.000 0.207 134 K C 0.794 177.346 176.600 -0.080 0.000 1.049 134 K CA 1.940 58.207 56.287 -0.033 0.000 0.933 134 K CB -0.085 32.412 32.500 -0.005 0.000 0.714 134 K HN 0.879 nan 8.250 nan 0.000 0.438 135 A N 0.392 123.126 122.820 -0.144 0.000 2.539 135 A HA 0.472 4.793 4.320 0.001 0.000 0.296 135 A C -1.254 176.042 177.584 -0.479 0.000 1.073 135 A CA -0.582 51.212 52.037 -0.404 0.000 0.700 135 A CB 2.086 20.706 19.000 -0.634 0.000 1.296 135 A HN -0.026 nan 8.150 nan 0.000 0.405 136 S N 1.016 116.379 115.700 -0.561 0.000 2.707 136 S HA 0.773 5.243 4.470 0.001 0.000 0.312 136 S C -1.278 173.093 174.600 -0.382 0.000 1.116 136 S CA -0.345 57.702 58.200 -0.256 0.000 1.078 136 S CB -0.273 62.933 63.200 0.009 0.000 0.997 136 S HN 0.448 nan 8.310 nan 0.000 0.477 137 F N 2.583 122.532 119.950 -0.002 0.000 2.613 137 F HA 0.712 5.239 4.527 0.001 0.000 0.342 137 F C 0.567 176.288 175.800 -0.132 0.000 1.066 137 F CA -1.122 56.844 58.000 -0.055 0.000 1.002 137 F CB 1.270 40.233 39.000 -0.061 0.000 1.319 137 F HN 0.463 nan 8.300 nan 0.000 0.495 138 R N 1.071 121.643 120.500 0.121 0.000 2.522 138 R HA 0.573 4.913 4.340 0.001 0.000 0.283 138 R C -2.111 174.167 176.300 -0.037 0.000 1.074 138 R CA -0.501 55.586 56.100 -0.021 0.000 0.925 138 R CB 1.355 31.639 30.300 -0.026 0.000 1.205 138 R HN 0.707 nan 8.270 nan 0.000 0.436 139 I N 4.835 125.350 120.570 -0.092 0.000 2.291 139 I HA 0.163 4.334 4.170 0.001 0.000 0.290 139 I C 0.977 177.014 176.117 -0.134 0.000 1.050 139 I CA -0.378 60.857 61.300 -0.108 0.000 1.245 139 I CB 1.316 39.242 38.000 -0.123 0.000 1.405 139 I HN 0.585 nan 8.210 nan 0.000 0.478 140 N N 2.796 121.434 118.700 -0.103 0.000 2.415 140 N HA -0.016 4.724 4.740 0.001 0.000 0.176 140 N C 0.510 175.951 175.510 -0.114 0.000 1.042 140 N CA 0.415 53.400 53.050 -0.107 0.000 0.902 140 N CB 0.564 39.009 38.487 -0.069 0.000 0.986 140 N HN 0.535 nan 8.380 nan 0.000 0.447 141 S N -0.006 115.635 115.700 -0.100 0.000 2.521 141 S HA 0.335 4.805 4.470 0.001 0.000 0.295 141 S C 0.884 175.434 174.600 -0.084 0.000 1.098 141 S CA -0.735 57.415 58.200 -0.084 0.000 0.999 141 S CB 1.621 64.788 63.200 -0.055 0.000 1.034 141 S HN 0.146 nan 8.310 nan 0.000 0.483 142 I N 4.631 125.154 120.570 -0.078 0.000 2.248 142 I HA -0.230 3.940 4.170 0.001 0.000 0.248 142 I C 2.200 178.300 176.117 -0.028 0.000 1.107 142 I CA 2.142 63.406 61.300 -0.060 0.000 1.373 142 I CB -0.113 37.862 38.000 -0.041 0.000 1.055 142 I HN 0.879 nan 8.210 nan 0.000 0.418 143 K N -0.508 119.880 120.400 -0.020 0.000 2.283 143 K HA -0.113 4.208 4.320 0.001 0.000 0.202 143 K C 1.000 177.602 176.600 0.003 0.000 1.048 143 K CA 1.471 57.757 56.287 -0.001 0.000 0.948 143 K CB -0.267 32.232 32.500 -0.002 0.000 0.742 143 K HN 0.313 nan 8.250 nan 0.000 0.458 144 D N 0.846 121.236 120.400 -0.016 0.000 2.328 144 D HA 0.123 4.764 4.640 0.001 0.000 0.221 144 D C 1.547 177.832 176.300 -0.025 0.000 1.072 144 D CA 0.169 54.158 54.000 -0.018 0.000 0.850 144 D CB 0.129 40.906 40.800 -0.039 0.000 0.922 144 D HN 0.265 nan 8.370 nan 0.000 0.516 145 I N 1.512 122.068 120.570 -0.023 0.000 2.179 145 I HA -0.191 3.979 4.170 0.001 0.000 0.242 145 I C -0.574 175.526 176.117 -0.028 0.000 1.088 145 I CA 1.255 62.535 61.300 -0.033 0.000 1.357 145 I CB -1.283 36.705 38.000 -0.020 0.000 1.051 145 I HN -0.022 nan 8.210 nan 0.000 0.409 146 P HA -0.136 nan 4.420 nan 0.000 0.217 146 P C 1.870 179.162 177.300 -0.012 0.000 1.150 146 P CA 1.246 64.323 63.100 -0.039 0.000 0.832 146 P CB 0.060 31.798 31.700 0.063 0.000 0.787 147 I N -0.338 120.324 120.570 0.153 0.000 2.252 147 I HA -0.106 4.064 4.170 0.001 0.000 0.245 147 I C 2.379 178.476 176.117 -0.033 0.000 1.102 147 I CA 1.920 63.322 61.300 0.170 0.000 1.385 147 I CB -1.894 36.172 38.000 0.111 0.000 1.064 147 I HN 0.008 nan 8.210 nan 0.000 0.414 148 G N 1.370 110.113 108.800 -0.095 0.000 2.469 148 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 148 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 148 G C 1.583 176.374 174.900 -0.182 0.000 1.150 148 G CA 0.471 45.456 45.100 -0.191 0.000 0.763 148 G HN 0.216 nan 8.290 nan 0.000 0.561 149 I N 1.755 122.254 120.570 -0.119 0.000 2.286 149 I HA -0.020 4.151 4.170 0.001 0.000 0.245 149 I C 3.259 179.314 176.117 -0.104 0.000 1.104 149 I CA 0.875 62.118 61.300 -0.095 0.000 1.397 149 I CB -1.376 36.575 38.000 -0.081 0.000 1.072 149 I HN 0.256 nan 8.210 nan 0.000 0.417 150 A N 1.222 123.957 122.820 -0.143 0.000 1.892 150 A HA -0.233 4.088 4.320 0.001 0.000 0.218 150 A C 2.462 180.019 177.584 -0.044 0.000 1.188 150 A CA 1.557 53.535 52.037 -0.099 0.000 0.631 150 A CB -0.622 18.360 19.000 -0.030 0.000 0.822 150 A HN 0.319 nan 8.150 nan 0.000 0.447 151 R N -0.684 119.747 120.500 -0.114 0.000 2.105 151 R HA -0.133 4.207 4.340 0.001 0.000 0.239 151 R C 2.473 178.733 176.300 -0.066 0.000 1.135 151 R CA 1.302 57.289 56.100 -0.190 0.000 0.967 151 R CB -0.592 29.355 30.300 -0.588 0.000 0.861 151 R HN 0.553 nan 8.270 nan 0.000 0.442 152 A N 0.715 123.504 122.820 -0.052 0.000 1.873 152 A HA -0.095 4.226 4.320 0.001 0.000 0.215 152 A C 2.417 180.070 177.584 0.114 0.000 1.186 152 A CA 1.324 53.441 52.037 0.132 0.000 0.616 152 A CB -0.480 18.578 19.000 0.097 0.000 0.823 152 A HN 0.105 nan 8.150 nan 0.000 0.442 153 V N 0.022 119.970 119.914 0.056 0.000 2.358 153 V HA -0.229 3.891 4.120 0.001 0.000 0.246 153 V C 2.641 178.780 176.094 0.075 0.000 1.047 153 V CA 2.091 64.427 62.300 0.060 0.000 1.035 153 V CB -0.814 31.026 31.823 0.027 0.000 0.658 153 V HN 0.496 nan 8.190 nan 0.000 0.452 154 R N -0.175 120.366 120.500 0.068 0.000 2.081 154 R HA -0.137 4.204 4.340 0.001 0.000 0.235 154 R C 2.404 178.763 176.300 0.099 0.000 1.131 154 R CA 1.949 58.097 56.100 0.079 0.000 0.960 154 R CB -0.772 29.572 30.300 0.072 0.000 0.856 154 R HN 0.498 nan 8.270 nan 0.000 0.436 155 T N 0.918 115.552 114.554 0.132 0.000 2.746 155 T HA -0.126 4.224 4.350 0.001 0.000 0.267 155 T C 1.928 176.697 174.700 0.114 0.000 1.039 155 T CA 1.411 63.601 62.100 0.149 0.000 1.142 155 T CB -0.184 68.832 68.868 0.246 0.000 0.866 155 T HN 0.373 nan 8.240 nan 0.000 0.444 156 A N 1.298 124.190 122.820 0.119 0.000 1.898 156 A HA -0.007 4.313 4.320 0.001 0.000 0.216 156 A C 2.587 180.231 177.584 0.099 0.000 1.181 156 A CA 1.723 53.822 52.037 0.104 0.000 0.620 156 A CB -0.719 18.350 19.000 0.116 0.000 0.819 156 A HN 0.496 nan 8.150 nan 0.000 0.442 157 V N -1.930 118.048 119.914 0.108 0.000 3.174 157 V HA 0.140 4.260 4.120 0.001 0.000 0.254 157 V C 1.120 177.282 176.094 0.112 0.000 1.120 157 V CA 0.776 63.153 62.300 0.128 0.000 1.114 157 V CB -1.013 30.885 31.823 0.125 0.000 0.756 157 V HN 0.563 nan 8.190 nan 0.000 0.467 158 S N -0.009 115.744 115.700 0.087 0.000 2.693 158 S HA 0.731 5.202 4.470 0.001 0.000 0.276 158 S C 0.912 175.547 174.600 0.058 0.000 1.192 158 S CA 0.272 58.516 58.200 0.074 0.000 0.994 158 S CB 0.903 64.144 63.200 0.067 0.000 1.012 158 S HN 1.838 nan 8.310 nan 0.000 0.550 159 G N 1.565 110.394 108.800 0.049 0.000 2.582 159 G HA2 -0.337 3.624 3.960 0.001 0.000 0.288 159 G HA3 -0.337 3.624 3.960 0.001 0.000 0.288 159 G C -0.089 174.825 174.900 0.024 0.000 1.247 159 G CA 0.359 45.478 45.100 0.032 0.000 0.972 159 G HN 1.118 nan 8.290 nan 0.000 0.557 160 R N 1.786 122.286 120.500 0.000 0.000 2.351 160 R HA 0.400 4.740 4.340 0.001 0.000 0.318 160 R C -2.108 174.169 176.300 -0.038 0.000 1.055 160 R CA -0.899 55.183 56.100 -0.029 0.000 0.968 160 R CB 0.314 30.585 30.300 -0.048 0.000 0.974 160 R HN 0.300 nan 8.270 nan 0.000 0.439 161 P HA 0.265 nan 4.420 nan 0.000 0.272 161 P C -0.500 176.758 177.300 -0.068 0.000 1.230 161 P CA -0.186 62.884 63.100 -0.051 0.000 0.788 161 P CB 1.210 32.834 31.700 -0.126 0.000 0.949 162 G N -0.777 108.014 108.800 -0.014 0.000 2.340 162 G HA2 0.506 4.466 3.960 0.001 0.000 0.299 162 G HA3 0.506 4.466 3.960 0.001 0.000 0.299 162 G C -1.037 173.883 174.900 0.033 0.000 1.291 162 G CA -0.251 44.836 45.100 -0.022 0.000 0.841 162 G HN 0.594 nan 8.290 nan 0.000 0.500 163 G N -1.309 107.507 108.800 0.027 0.000 2.415 163 G HA2 0.598 4.559 3.960 0.001 0.000 0.269 163 G HA3 0.598 4.559 3.960 0.001 0.000 0.269 163 G C -0.720 174.231 174.900 0.084 0.000 1.209 163 G CA -0.175 44.968 45.100 0.071 0.000 0.835 163 G HN 1.118 nan 8.290 nan 0.000 0.534 164 V N 2.184 122.172 119.914 0.124 0.000 2.638 164 V HA 0.295 4.415 4.120 0.001 0.000 0.306 164 V C -1.130 175.091 176.094 0.212 0.000 1.052 164 V CA -0.952 61.431 62.300 0.138 0.000 0.885 164 V CB 1.633 33.565 31.823 0.181 0.000 0.999 164 V HN 0.717 nan 8.190 nan 0.000 0.424 165 Y N 4.684 125.025 120.300 0.068 0.000 2.320 165 Y HA 0.688 5.239 4.550 0.001 0.000 0.334 165 Y C -0.444 175.538 175.900 0.136 0.000 1.055 165 Y CA -0.898 57.272 58.100 0.116 0.000 1.143 165 Y CB 1.667 40.212 38.460 0.141 0.000 1.193 165 Y HN 0.373 nan 8.280 nan 0.000 0.477 166 V N 7.007 126.608 119.914 -0.522 0.000 2.376 166 V HA 0.175 4.295 4.120 0.001 0.000 0.287 166 V C -0.434 175.180 176.094 -0.800 0.000 1.015 166 V CA -1.136 60.886 62.300 -0.463 0.000 0.834 166 V CB 1.359 33.109 31.823 -0.120 0.000 1.001 166 V HN 0.772 nan 8.190 nan 0.000 0.428 167 D N 4.799 124.736 120.400 -0.771 0.000 2.308 167 D HA 0.362 5.003 4.640 0.001 0.000 0.251 167 D C -0.741 175.429 176.300 -0.215 0.000 1.127 167 D CA -0.209 53.519 54.000 -0.454 0.000 0.876 167 D CB 1.469 42.139 40.800 -0.217 0.000 1.176 167 D HN 0.432 nan 8.370 nan 0.000 0.446 168 L N 5.929 127.078 121.223 -0.124 0.000 2.408 168 L HA 0.293 4.634 4.340 0.001 0.000 0.257 168 L C -2.263 174.489 176.870 -0.197 0.000 1.053 168 L CA -1.852 52.877 54.840 -0.185 0.000 0.922 168 L CB 1.570 43.597 42.059 -0.053 0.000 1.261 168 L HN 0.151 nan 8.230 nan 0.000 0.458 169 P HA -0.091 nan 4.420 nan 0.000 0.263 169 P C 0.829 178.006 177.300 -0.206 0.000 1.175 169 P CA 0.314 63.322 63.100 -0.154 0.000 0.761 169 P CB 1.014 32.623 31.700 -0.152 0.000 0.794 170 A N 5.053 127.861 122.820 -0.021 0.000 1.915 170 A HA -0.298 4.022 4.320 0.001 0.000 0.220 170 A C 1.777 179.349 177.584 -0.019 0.000 1.198 170 A CA 1.895 53.985 52.037 0.088 0.000 0.647 170 A CB -1.051 18.014 19.000 0.107 0.000 0.825 170 A HN 0.565 nan 8.150 nan 0.000 0.456 171 K N -0.958 119.388 120.400 -0.090 0.000 2.439 171 K HA 0.017 4.338 4.320 0.001 0.000 0.197 171 K C 1.665 178.140 176.600 -0.209 0.000 1.041 171 K CA 0.663 56.888 56.287 -0.104 0.000 0.970 171 K CB -0.232 32.226 32.500 -0.071 0.000 0.773 171 K HN 0.430 nan 8.250 nan 0.000 0.479 172 L N 0.362 121.347 121.223 -0.396 0.000 2.083 172 L HA -0.139 4.202 4.340 0.001 0.000 0.209 172 L C 1.559 178.120 176.870 -0.516 0.000 1.083 172 L CA 1.781 56.315 54.840 -0.509 0.000 0.752 172 L CB -0.338 41.269 42.059 -0.753 0.000 0.899 172 L HN 0.007 nan 8.230 nan 0.000 0.433 173 F N -0.501 119.214 119.950 -0.392 0.000 2.293 173 F HA 0.140 4.667 4.527 0.001 0.000 0.297 173 F C 2.426 177.828 175.800 -0.662 0.000 1.089 173 F CA 0.954 58.454 58.000 -0.834 0.000 1.377 173 F CB -1.245 36.893 39.000 -1.436 0.000 1.051 173 F HN 0.148 nan 8.300 nan 0.000 0.511 174 G N -0.906 107.808 108.800 -0.143 0.000 2.985 174 G HA2 0.013 3.973 3.960 0.001 0.000 0.209 174 G HA3 0.013 3.973 3.960 0.001 0.000 0.209 174 G C 0.556 175.458 174.900 0.004 0.000 1.165 174 G CA -0.241 44.867 45.100 0.012 0.000 0.776 174 G HN 0.213 nan 8.290 nan 0.000 0.541 175 Q N 0.963 120.734 119.800 -0.049 0.000 2.386 175 Q HA 0.353 4.694 4.340 0.001 0.000 0.282 175 Q C 0.311 176.312 176.000 0.003 0.000 1.050 175 Q CA 0.506 56.289 55.803 -0.032 0.000 0.918 175 Q CB 0.653 29.351 28.738 -0.067 0.000 1.266 175 Q HN 0.350 nan 8.270 nan 0.000 0.423 176 T N -0.596 113.968 114.554 0.017 0.000 2.916 176 T HA 0.833 5.184 4.350 0.001 0.000 0.292 176 T C -0.577 174.141 174.700 0.029 0.000 1.055 176 T CA -0.847 61.277 62.100 0.039 0.000 1.009 176 T CB 1.355 70.252 68.868 0.048 0.000 1.118 176 T HN 0.585 nan 8.240 nan 0.000 0.497 177 I N 1.133 121.727 120.570 0.041 0.000 2.842 177 I HA 0.424 4.595 4.170 0.001 0.000 0.297 177 I C -0.187 175.954 176.117 0.040 0.000 1.380 177 I CA -0.713 60.607 61.300 0.033 0.000 1.018 177 I CB 2.339 40.358 38.000 0.031 0.000 1.311 177 I HN 1.090 nan 8.210 nan 0.000 0.439 178 S N 4.367 120.086 115.700 0.031 0.000 2.573 178 S HA 0.113 4.584 4.470 0.001 0.000 0.277 178 S C 1.008 175.629 174.600 0.035 0.000 1.346 178 S CA -0.510 57.709 58.200 0.030 0.000 1.034 178 S CB 1.432 64.646 63.200 0.023 0.000 0.879 178 S HN 0.460 nan 8.310 nan 0.000 0.528 179 V N 2.050 121.984 119.914 0.033 0.000 2.515 179 V HA -0.140 3.980 4.120 0.001 0.000 0.250 179 V C 2.675 178.785 176.094 0.027 0.000 1.058 179 V CA 2.185 64.504 62.300 0.031 0.000 1.064 179 V CB -1.416 30.420 31.823 0.022 0.000 0.675 179 V HN 1.051 nan 8.190 nan 0.000 0.461 180 E N 0.312 120.526 120.200 0.023 0.000 2.017 180 E HA -0.240 4.110 4.350 0.001 0.000 0.193 180 E C 2.260 178.874 176.600 0.024 0.000 0.997 180 E CA 1.454 57.867 56.400 0.021 0.000 0.804 180 E CB -0.159 29.551 29.700 0.016 0.000 0.757 180 E HN 0.523 nan 8.360 nan 0.000 0.448 181 E N 0.306 120.521 120.200 0.024 0.000 2.055 181 E HA -0.298 4.053 4.350 0.001 0.000 0.209 181 E C 2.066 178.687 176.600 0.035 0.000 1.036 181 E CA 1.516 57.931 56.400 0.026 0.000 0.849 181 E CB -0.569 29.145 29.700 0.024 0.000 0.767 181 E HN 0.434 nan 8.360 nan 0.000 0.461 182 A N 1.568 124.413 122.820 0.040 0.000 1.978 182 A HA -0.207 4.114 4.320 0.001 0.000 0.220 182 A C 1.839 179.456 177.584 0.055 0.000 1.170 182 A CA 1.639 53.707 52.037 0.051 0.000 0.636 182 A CB -0.448 18.587 19.000 0.058 0.000 0.810 182 A HN 0.187 nan 8.150 nan 0.000 0.448 183 N N -0.190 118.538 118.700 0.046 0.000 2.270 183 N HA -0.068 4.673 4.740 0.001 0.000 0.181 183 N C 1.560 177.102 175.510 0.053 0.000 1.016 183 N CA 1.237 54.315 53.050 0.046 0.000 0.870 183 N CB -0.228 38.279 38.487 0.033 0.000 0.979 183 N HN 0.587 nan 8.380 nan 0.000 0.431 184 K N 0.647 121.075 120.400 0.046 0.000 2.031 184 K HA 0.072 4.393 4.320 0.001 0.000 0.205 184 K C 2.064 178.704 176.600 0.067 0.000 1.049 184 K CA 0.655 56.969 56.287 0.044 0.000 0.939 184 K CB -0.144 32.372 32.500 0.027 0.000 0.717 184 K HN 0.060 nan 8.250 nan 0.000 0.438 185 L N 1.287 122.555 121.223 0.074 0.000 2.083 185 L HA -0.112 4.228 4.340 0.001 0.000 0.209 185 L C 0.994 177.993 176.870 0.215 0.000 1.083 185 L CA 0.461 55.368 54.840 0.113 0.000 0.752 185 L CB -0.411 41.700 42.059 0.086 0.000 0.899 185 L HN 0.139 nan 8.230 nan 0.000 0.433 186 L N 0.842 122.158 121.223 0.156 0.000 2.540 186 L HA 0.031 4.372 4.340 0.001 0.000 0.276 186 L C -0.421 176.590 176.870 0.234 0.000 1.212 186 L CA 0.284 55.208 54.840 0.139 0.000 0.893 186 L CB 0.138 42.241 42.059 0.074 0.000 1.138 186 L HN 0.036 nan 8.230 nan 0.000 0.491 187 F N 1.515 121.474 119.950 0.015 0.000 2.693 187 F HA 0.485 5.012 4.527 0.001 0.000 0.309 187 F C -1.112 174.697 175.800 0.016 0.000 1.129 187 F CA -1.385 56.622 58.000 0.012 0.000 0.948 187 F CB 1.349 40.352 39.000 0.005 0.000 1.315 187 F HN 0.177 nan 8.300 nan 0.000 0.447 188 K N 3.358 123.792 120.400 0.056 0.000 2.316 188 K HA 0.505 4.826 4.320 0.001 0.000 0.267 188 K C -2.654 174.023 176.600 0.129 0.000 1.025 188 K CA -1.800 54.467 56.287 -0.034 0.000 0.896 188 K CB 1.033 33.544 32.500 0.019 0.000 1.124 188 K HN 0.436 nan 8.250 nan 0.000 0.451 189 P HA -0.120 nan 4.420 nan 0.000 0.261 189 P C -0.485 176.886 177.300 0.120 0.000 1.165 189 P CA 0.222 63.429 63.100 0.178 0.000 0.759 189 P CB 0.273 32.021 31.700 0.081 0.000 0.772 190 I N 3.212 123.855 120.570 0.122 0.000 2.396 190 I HA 0.030 4.201 4.170 0.001 0.000 0.289 190 I C 0.778 176.931 176.117 0.061 0.000 1.056 190 I CA 0.204 61.550 61.300 0.076 0.000 1.365 190 I CB -0.129 37.908 38.000 0.063 0.000 1.407 190 I HN 0.544 nan 8.210 nan 0.000 0.509 191 D N 7.827 128.255 120.400 0.047 0.000 2.927 191 D HA -0.128 4.512 4.640 0.001 0.000 0.236 191 D C -1.599 174.728 176.300 0.046 0.000 1.163 191 D CA 0.114 54.138 54.000 0.039 0.000 0.801 191 D CB 0.056 40.876 40.800 0.034 0.000 0.975 191 D HN 0.392 nan 8.370 nan 0.000 0.413 192 P HA 0.103 nan 4.420 nan 0.000 0.231 192 P C 0.108 177.443 177.300 0.058 0.000 1.168 192 P CA 0.739 63.872 63.100 0.055 0.000 0.779 192 P CB 0.503 32.234 31.700 0.052 0.000 0.844 193 A N 1.603 124.455 122.820 0.054 0.000 2.802 193 A HA 0.532 4.853 4.320 0.001 0.000 0.344 193 A C -2.362 175.250 177.584 0.047 0.000 1.215 193 A CA -1.266 50.808 52.037 0.060 0.000 0.821 193 A CB 0.168 19.212 19.000 0.074 0.000 1.099 193 A HN 0.043 nan 8.150 nan 0.000 0.479 194 P HA 0.474 nan 4.420 nan 0.000 0.277 194 P C 0.145 177.464 177.300 0.031 0.000 1.240 194 P CA -0.149 62.971 63.100 0.034 0.000 0.798 194 P CB 1.264 32.983 31.700 0.032 0.000 0.979 195 A N 2.620 125.454 122.820 0.024 0.000 2.498 195 A HA 0.171 4.491 4.320 0.001 0.000 0.239 195 A C 0.194 177.790 177.584 0.021 0.000 1.068 195 A CA 0.159 52.208 52.037 0.021 0.000 0.766 195 A CB -0.260 18.749 19.000 0.014 0.000 1.003 195 A HN 0.500 nan 8.150 nan 0.000 0.497 196 Q N 1.506 121.319 119.800 0.021 0.000 2.337 196 Q HA 0.423 4.764 4.340 0.001 0.000 0.264 196 Q C -1.449 174.560 176.000 0.016 0.000 1.007 196 Q CA -0.125 55.690 55.803 0.019 0.000 0.727 196 Q CB 1.627 30.379 28.738 0.022 0.000 1.256 196 Q HN 0.661 nan 8.270 nan 0.000 0.467 197 I N 4.893 125.471 120.570 0.013 0.000 2.331 197 I HA 0.301 4.471 4.170 0.001 0.000 0.292 197 I C -1.766 174.357 176.117 0.009 0.000 0.998 197 I CA -1.592 59.714 61.300 0.010 0.000 1.267 197 I CB 0.885 38.890 38.000 0.008 0.000 1.386 197 I HN 0.276 nan 8.210 nan 0.000 0.476 198 P HA 0.302 nan 4.420 nan 0.000 0.274 198 P C -0.623 176.681 177.300 0.006 0.000 1.231 198 P CA -0.524 62.580 63.100 0.008 0.000 0.790 198 P CB 0.804 32.509 31.700 0.008 0.000 0.951 199 A N 1.179 124.003 122.820 0.006 0.000 2.406 199 A HA 0.025 4.346 4.320 0.001 0.000 0.243 199 A C 1.548 179.135 177.584 0.004 0.000 1.082 199 A CA -0.075 51.965 52.037 0.005 0.000 0.786 199 A CB -0.343 18.660 19.000 0.004 0.000 1.029 199 A HN 0.728 nan 8.150 nan 0.000 0.495 200 E N 0.266 120.468 120.200 0.004 0.000 2.118 200 E HA -0.254 4.096 4.350 0.001 0.000 0.195 200 E C 1.254 177.856 176.600 0.003 0.000 0.992 200 E CA 1.781 58.183 56.400 0.004 0.000 0.804 200 E CB -0.018 29.683 29.700 0.003 0.000 0.741 200 E HN 0.834 nan 8.360 nan 0.000 0.458 201 D N 0.148 120.550 120.400 0.003 0.000 2.224 201 D HA -0.130 4.510 4.640 0.001 0.000 0.205 201 D C 1.787 178.088 176.300 0.003 0.000 0.965 201 D CA 1.147 55.148 54.000 0.002 0.000 0.852 201 D CB -0.336 40.465 40.800 0.001 0.000 0.947 201 D HN 0.250 nan 8.370 nan 0.000 0.494 202 A N 1.215 124.037 122.820 0.004 0.000 1.902 202 A HA -0.085 4.236 4.320 0.001 0.000 0.217 202 A C 2.375 179.963 177.584 0.006 0.000 1.181 202 A CA 1.100 53.140 52.037 0.005 0.000 0.623 202 A CB -0.535 18.468 19.000 0.005 0.000 0.818 202 A HN 0.215 nan 8.150 nan 0.000 0.443 203 I N -0.153 120.421 120.570 0.006 0.000 2.315 203 I HA -0.189 3.981 4.170 0.001 0.000 0.248 203 I C 2.881 179.002 176.117 0.006 0.000 1.117 203 I CA 1.392 62.696 61.300 0.007 0.000 1.404 203 I CB -1.500 36.503 38.000 0.006 0.000 1.071 203 I HN 0.367 nan 8.210 nan 0.000 0.419 204 A N 0.568 123.391 122.820 0.005 0.000 1.930 204 A HA -0.207 4.113 4.320 0.001 0.000 0.217 204 A C 2.520 180.106 177.584 0.003 0.000 1.175 204 A CA 1.365 53.404 52.037 0.003 0.000 0.627 204 A CB -0.596 18.406 19.000 0.002 0.000 0.815 204 A HN 0.319 nan 8.150 nan 0.000 0.443 205 R N -0.400 120.101 120.500 0.003 0.000 2.081 205 R HA -0.089 4.252 4.340 0.001 0.000 0.235 205 R C 2.310 178.612 176.300 0.003 0.000 1.131 205 R CA 1.389 57.490 56.100 0.001 0.000 0.960 205 R CB -0.365 29.936 30.300 0.002 0.000 0.856 205 R HN 0.447 nan 8.270 nan 0.000 0.436 206 A N 0.715 123.539 122.820 0.007 0.000 1.877 206 A HA -0.096 4.224 4.320 0.001 0.000 0.216 206 A C 2.367 179.956 177.584 0.008 0.000 1.186 206 A CA 1.653 53.696 52.037 0.010 0.000 0.620 206 A CB -0.916 18.093 19.000 0.015 0.000 0.822 206 A HN 0.518 nan 8.150 nan 0.000 0.443 207 A N 0.095 122.919 122.820 0.007 0.000 1.908 207 A HA -0.259 4.061 4.320 0.001 0.000 0.218 207 A C 1.825 179.411 177.584 0.003 0.000 1.181 207 A CA 2.397 54.439 52.037 0.007 0.000 0.627 207 A CB -0.869 18.135 19.000 0.007 0.000 0.818 207 A HN 0.601 nan 8.150 nan 0.000 0.445 208 D N -0.266 120.134 120.400 0.000 0.000 2.104 208 D HA -0.159 4.482 4.640 0.001 0.000 0.194 208 D C 1.823 178.118 176.300 -0.009 0.000 0.994 208 D CA 1.550 55.547 54.000 -0.004 0.000 0.830 208 D CB -0.218 40.578 40.800 -0.005 0.000 0.959 208 D HN 0.429 nan 8.370 nan 0.000 0.452 209 L N -0.098 121.119 121.223 -0.010 0.000 2.056 209 L HA -0.101 4.240 4.340 0.001 0.000 0.207 209 L C 2.623 179.482 176.870 -0.019 0.000 1.078 209 L CA 0.707 55.536 54.840 -0.018 0.000 0.749 209 L CB -0.369 41.680 42.059 -0.017 0.000 0.901 209 L HN 0.186 nan 8.230 nan 0.000 0.433 210 I N -0.188 120.379 120.570 -0.005 0.000 2.179 210 I HA -0.305 3.866 4.170 0.001 0.000 0.242 210 I C 2.511 178.628 176.117 -0.000 0.000 1.088 210 I CA 1.401 62.702 61.300 0.002 0.000 1.357 210 I CB -0.245 37.765 38.000 0.017 0.000 1.051 210 I HN 0.179 nan 8.210 nan 0.000 0.409 211 K N 0.414 120.814 120.400 0.000 0.000 2.209 211 K HA -0.116 4.205 4.320 0.001 0.000 0.204 211 K C 1.357 177.953 176.600 -0.007 0.000 1.048 211 K CA 1.023 57.310 56.287 0.001 0.000 0.940 211 K CB -0.146 32.355 32.500 0.002 0.000 0.729 211 K HN 0.381 nan 8.250 nan 0.000 0.451 212 N N 0.225 118.914 118.700 -0.018 0.000 2.236 212 N HA 0.054 4.794 4.740 0.001 0.000 0.196 212 N C -0.181 175.302 175.510 -0.046 0.000 1.114 212 N CA 0.014 53.048 53.050 -0.028 0.000 0.859 212 N CB 0.617 39.087 38.487 -0.028 0.000 0.982 212 N HN 0.047 nan 8.380 nan 0.000 0.493 213 A N 1.297 124.085 122.820 -0.052 0.000 2.511 213 A HA 0.097 4.418 4.320 0.001 0.000 0.242 213 A C 1.214 178.733 177.584 -0.109 0.000 1.069 213 A CA 0.135 52.117 52.037 -0.091 0.000 0.763 213 A CB 0.593 19.542 19.000 -0.085 0.000 1.001 213 A HN 0.013 nan 8.150 nan 0.000 0.498 214 K N 1.445 121.742 120.400 -0.171 0.000 2.284 214 K HA 0.073 4.394 4.320 0.001 0.000 0.198 214 K C 0.230 176.612 176.600 -0.364 0.000 1.048 214 K CA 0.808 56.984 56.287 -0.185 0.000 0.987 214 K CB 0.399 32.797 32.500 -0.168 0.000 0.800 214 K HN 0.735 nan 8.250 nan 0.000 0.486 215 R N 1.101 121.224 120.500 -0.628 0.000 2.627 215 R HA 0.189 4.530 4.340 0.001 0.000 0.251 215 R C -2.725 172.995 176.300 -0.967 0.000 1.524 215 R CA -1.069 54.120 56.100 -1.519 0.000 1.606 215 R CB 1.456 30.689 30.300 -1.777 0.000 1.396 215 R HN 0.016 nan 8.270 nan 0.000 0.724 216 P HA 0.199 nan 4.420 nan 0.000 0.278 216 P C -0.513 176.932 177.300 0.242 0.000 1.238 216 P CA -0.313 62.772 63.100 -0.026 0.000 0.794 216 P CB 2.088 33.807 31.700 0.031 0.000 0.955 217 V N 4.249 124.291 119.914 0.215 0.000 2.841 217 V HA 0.422 4.542 4.120 0.001 0.000 0.310 217 V C -0.373 175.851 176.094 0.216 0.000 1.090 217 V CA -1.026 61.439 62.300 0.275 0.000 0.930 217 V CB 2.001 34.005 31.823 0.301 0.000 1.014 217 V HN 0.349 nan 8.190 nan 0.000 0.425 218 I N 6.235 126.939 120.570 0.223 0.000 2.359 218 I HA 0.463 4.634 4.170 0.001 0.000 0.294 218 I C -0.178 176.069 176.117 0.216 0.000 0.987 218 I CA -0.291 61.127 61.300 0.197 0.000 1.225 218 I CB 1.628 39.731 38.000 0.172 0.000 1.366 218 I HN 0.388 nan 8.210 nan 0.000 0.466 219 M N 7.458 127.170 119.600 0.185 0.000 2.114 219 M HA 0.463 4.943 4.480 0.001 0.000 0.332 219 M C -0.992 175.387 176.300 0.132 0.000 1.014 219 M CA -0.546 54.857 55.300 0.172 0.000 0.956 219 M CB 1.590 34.301 32.600 0.186 0.000 1.551 219 M HN 0.354 nan 8.290 nan 0.000 0.427 220 L N 2.727 124.032 121.223 0.137 0.000 2.289 220 L HA 0.754 5.095 4.340 0.001 0.000 0.285 220 L C 0.651 177.574 176.870 0.088 0.000 1.049 220 L CA -0.580 54.319 54.840 0.100 0.000 0.804 220 L CB 1.249 43.365 42.059 0.094 0.000 1.195 220 L HN 0.752 nan 8.230 nan 0.000 0.428 221 G N 1.341 110.185 108.800 0.073 0.000 2.667 221 G HA2 0.344 4.304 3.960 0.001 0.000 0.310 221 G HA3 0.344 4.304 3.960 0.001 0.000 0.310 221 G C 0.475 175.438 174.900 0.104 0.000 1.259 221 G CA -0.571 44.567 45.100 0.063 0.000 1.019 221 G HN 0.776 nan 8.290 nan 0.000 0.496 222 K N -1.151 119.319 120.400 0.118 0.000 2.365 222 K HA 0.066 4.387 4.320 0.001 0.000 0.199 222 K C 1.996 178.791 176.600 0.325 0.000 1.045 222 K CA 1.140 57.569 56.287 0.237 0.000 0.962 222 K CB -0.138 32.469 32.500 0.178 0.000 0.759 222 K HN 0.441 nan 8.250 nan 0.000 0.469 223 G N 1.668 110.582 108.800 0.191 0.000 2.440 223 G HA2 -0.275 3.686 3.960 0.001 0.000 0.218 223 G HA3 -0.275 3.686 3.960 0.001 0.000 0.218 223 G C 1.711 176.733 174.900 0.204 0.000 1.154 223 G CA 0.899 46.109 45.100 0.183 0.000 0.767 223 G HN 0.446 nan 8.290 nan 0.000 0.552 224 A N 1.094 123.998 122.820 0.141 0.000 1.898 224 A HA 0.309 4.629 4.320 0.001 0.000 0.216 224 A C 2.821 180.462 177.584 0.094 0.000 1.181 224 A CA 2.185 54.280 52.037 0.097 0.000 0.620 224 A CB -0.778 18.259 19.000 0.061 0.000 0.819 224 A HN 0.760 nan 8.150 nan 0.000 0.442 225 A N -1.231 121.672 122.820 0.138 0.000 1.858 225 A HA -0.160 4.160 4.320 0.001 0.000 0.216 225 A C 2.139 179.740 177.584 0.029 0.000 1.190 225 A CA 1.707 53.808 52.037 0.107 0.000 0.617 225 A CB -1.033 18.097 19.000 0.218 0.000 0.827 225 A HN 0.767 nan 8.150 nan 0.000 0.443 226 Y N 0.882 121.179 120.300 -0.005 0.000 2.241 226 Y HA -0.211 4.340 4.550 0.001 0.000 0.286 226 Y C 2.489 178.333 175.900 -0.093 0.000 1.166 226 Y CA 1.332 59.353 58.100 -0.131 0.000 1.203 226 Y CB -0.408 38.106 38.460 0.090 0.000 0.977 226 Y HN 0.310 nan 8.280 nan 0.000 0.529 227 A N -0.151 122.661 122.820 -0.012 0.000 2.067 227 A HA -0.159 4.162 4.320 0.001 0.000 0.219 227 A C 1.062 178.552 177.584 -0.158 0.000 1.158 227 A CA 1.123 53.120 52.037 -0.066 0.000 0.661 227 A CB -0.516 18.507 19.000 0.038 0.000 0.801 227 A HN 0.646 nan 8.150 nan 0.000 0.452 228 Q N -2.043 117.657 119.800 -0.167 0.000 2.459 228 Q HA -0.201 4.140 4.340 0.001 0.000 0.322 228 Q C -0.110 175.832 176.000 -0.097 0.000 1.427 228 Q CA 0.529 56.241 55.803 -0.151 0.000 0.861 228 Q CB -2.538 26.082 28.738 -0.198 0.000 1.137 228 Q HN 1.151 nan 8.270 nan 0.000 0.394 229 C N -2.571 116.687 119.300 -0.070 0.000 3.290 229 C HA 0.303 4.764 4.460 0.001 0.000 0.206 229 C C 1.129 176.087 174.990 -0.053 0.000 1.639 229 C CA -0.867 58.120 59.018 -0.053 0.000 1.408 229 C CB 0.220 27.937 27.740 -0.038 0.000 2.197 229 C HN 0.345 nan 8.230 nan 0.000 0.508 230 D N 1.679 122.044 120.400 -0.058 0.000 2.123 230 D HA -0.140 4.501 4.640 0.001 0.000 0.196 230 D C 1.362 177.624 176.300 -0.063 0.000 0.992 230 D CA 1.775 55.739 54.000 -0.061 0.000 0.833 230 D CB 0.096 40.864 40.800 -0.053 0.000 0.954 230 D HN 0.555 nan 8.370 nan 0.000 0.455 231 D N 0.693 121.064 120.400 -0.049 0.000 2.144 231 D HA -0.096 4.544 4.640 0.001 0.000 0.200 231 D C 2.021 178.295 176.300 -0.044 0.000 0.978 231 D CA 0.611 54.585 54.000 -0.042 0.000 0.833 231 D CB -0.081 40.701 40.800 -0.030 0.000 0.961 231 D HN 0.210 nan 8.370 nan 0.000 0.470 232 E N 0.496 120.671 120.200 -0.042 0.000 2.051 232 E HA -0.102 4.249 4.350 0.001 0.000 0.192 232 E C 2.467 179.036 176.600 -0.052 0.000 0.991 232 E CA 0.415 56.792 56.400 -0.038 0.000 0.799 232 E CB -0.160 29.522 29.700 -0.030 0.000 0.748 232 E HN 0.376 nan 8.360 nan 0.000 0.449 233 I N 0.592 121.121 120.570 -0.068 0.000 2.252 233 I HA -0.250 3.921 4.170 0.001 0.000 0.245 233 I C 2.800 178.829 176.117 -0.148 0.000 1.102 233 I CA 0.967 62.209 61.300 -0.096 0.000 1.385 233 I CB -0.217 37.721 38.000 -0.102 0.000 1.064 233 I HN 0.005 nan 8.210 nan 0.000 0.414 234 R N 1.282 121.689 120.500 -0.156 0.000 2.096 234 R HA -0.155 4.185 4.340 0.001 0.000 0.235 234 R C 2.331 178.559 176.300 -0.120 0.000 1.127 234 R CA 1.512 57.495 56.100 -0.196 0.000 0.968 234 R CB -0.226 29.991 30.300 -0.139 0.000 0.861 234 R HN 0.339 nan 8.270 nan 0.000 0.440 235 A N 1.046 123.824 122.820 -0.069 0.000 1.933 235 A HA -0.143 4.177 4.320 0.001 0.000 0.218 235 A C 2.022 179.587 177.584 -0.031 0.000 1.175 235 A CA 1.208 53.225 52.037 -0.033 0.000 0.628 235 A CB -0.556 18.430 19.000 -0.023 0.000 0.814 235 A HN 0.405 nan 8.150 nan 0.000 0.444 236 L N -0.089 121.108 121.223 -0.045 0.000 2.017 236 L HA -0.106 4.234 4.340 0.001 0.000 0.208 236 L C 2.358 179.210 176.870 -0.030 0.000 1.073 236 L CA 1.983 56.805 54.840 -0.031 0.000 0.745 236 L CB -0.529 41.510 42.059 -0.033 0.000 0.894 236 L HN 0.138 nan 8.230 nan 0.000 0.432 237 V N -0.272 119.594 119.914 -0.080 0.000 2.343 237 V HA -0.275 3.845 4.120 0.001 0.000 0.247 237 V C 2.524 178.617 176.094 -0.001 0.000 1.051 237 V CA 2.096 64.350 62.300 -0.075 0.000 1.036 237 V CB -0.611 31.048 31.823 -0.273 0.000 0.654 237 V HN 0.508 nan 8.190 nan 0.000 0.451 238 E N -0.246 119.951 120.200 -0.004 0.000 2.072 238 E HA -0.203 4.147 4.350 0.001 0.000 0.190 238 E C 2.274 178.909 176.600 0.058 0.000 0.982 238 E CA 1.246 57.687 56.400 0.068 0.000 0.803 238 E CB -0.092 29.656 29.700 0.081 0.000 0.755 238 E HN 0.668 nan 8.360 nan 0.000 0.453 239 E N -0.143 120.077 120.200 0.034 0.000 2.110 239 E HA -0.159 4.192 4.350 0.001 0.000 0.193 239 E C 2.190 178.814 176.600 0.041 0.000 0.988 239 E CA 1.750 58.169 56.400 0.032 0.000 0.804 239 E CB -0.034 29.678 29.700 0.020 0.000 0.745 239 E HN 0.321 nan 8.360 nan 0.000 0.458 240 T N -3.154 111.427 114.554 0.045 0.000 3.043 240 T HA 0.120 4.470 4.350 0.001 0.000 0.263 240 T C 1.703 176.451 174.700 0.079 0.000 1.094 240 T CA 0.543 62.677 62.100 0.056 0.000 1.127 240 T CB 0.177 69.078 68.868 0.055 0.000 0.905 240 T HN 0.297 nan 8.240 nan 0.000 0.490 241 G N 1.579 110.434 108.800 0.092 0.000 2.155 241 G HA2 -0.232 3.729 3.960 0.001 0.000 0.257 241 G HA3 -0.232 3.729 3.960 0.001 0.000 0.257 241 G C 0.057 175.047 174.900 0.151 0.000 0.983 241 G CA 0.197 45.368 45.100 0.117 0.000 0.676 241 G HN 0.692 nan 8.290 nan 0.000 0.528 242 I N 1.909 122.572 120.570 0.155 0.000 2.496 242 I HA 0.230 4.401 4.170 0.001 0.000 0.285 242 I C -1.579 174.680 176.117 0.237 0.000 1.080 242 I CA -2.138 59.281 61.300 0.199 0.000 1.404 242 I CB 0.880 38.983 38.000 0.172 0.000 1.403 242 I HN -0.119 nan 8.210 nan 0.000 0.539 243 P HA 0.020 nan 4.420 nan 0.000 0.266 243 P C -0.962 176.489 177.300 0.252 0.000 1.193 243 P CA 0.248 63.454 63.100 0.177 0.000 0.770 243 P CB 0.264 32.007 31.700 0.071 0.000 0.836 244 F N 0.954 120.934 119.950 0.050 0.000 2.599 244 F HA 0.771 5.299 4.527 0.001 0.000 0.311 244 F C -1.908 173.910 175.800 0.031 0.000 1.076 244 F CA -1.387 56.638 58.000 0.041 0.000 0.937 244 F CB 1.213 40.215 39.000 0.003 0.000 1.282 244 F HN -0.020 nan 8.300 nan 0.000 0.460 245 L N 3.907 125.197 121.223 0.113 0.000 2.381 245 L HA 0.606 4.946 4.340 0.001 0.000 0.274 245 L C -2.620 174.339 176.870 0.149 0.000 0.988 245 L CA -1.856 52.988 54.840 0.007 0.000 0.824 245 L CB 2.709 44.778 42.059 0.016 0.000 1.263 245 L HN 0.468 nan 8.230 nan 0.000 0.410 246 P HA 0.327 nan 4.420 nan 0.000 0.292 246 P C -0.926 176.415 177.300 0.068 0.000 1.283 246 P CA -0.673 62.514 63.100 0.146 0.000 0.835 246 P CB 1.381 33.182 31.700 0.169 0.000 1.017 247 M N 1.446 121.082 119.600 0.060 0.000 2.114 247 M HA 0.177 4.658 4.480 0.001 0.000 0.293 247 M C 2.104 178.419 176.300 0.025 0.000 1.201 247 M CA 0.102 55.412 55.300 0.016 0.000 1.107 247 M CB -0.468 32.131 32.600 -0.002 0.000 1.405 247 M HN 0.563 nan 8.290 nan 0.000 0.486 248 G N 0.848 109.647 108.800 -0.001 0.000 2.529 248 G HA2 -0.212 3.749 3.960 0.001 0.000 0.219 248 G HA3 -0.212 3.749 3.960 0.001 0.000 0.219 248 G C 1.191 176.117 174.900 0.044 0.000 1.177 248 G CA 0.881 45.989 45.100 0.014 0.000 0.773 248 G HN 0.632 nan 8.290 nan 0.000 0.573 249 M N 0.802 120.431 119.600 0.048 0.000 2.495 249 M HA 0.314 4.795 4.480 0.001 0.000 0.237 249 M C 2.315 178.700 176.300 0.141 0.000 1.131 249 M CA 0.291 55.639 55.300 0.079 0.000 1.032 249 M CB 0.664 33.271 32.600 0.010 0.000 1.513 249 M HN 0.311 nan 8.290 nan 0.000 0.488 250 A N 0.182 123.072 122.820 0.117 0.000 2.238 250 A HA 0.114 4.435 4.320 0.001 0.000 0.210 250 A C 0.675 178.331 177.584 0.120 0.000 1.179 250 A CA -0.005 52.108 52.037 0.127 0.000 0.827 250 A CB -0.043 19.026 19.000 0.114 0.000 0.856 250 A HN 0.279 nan 8.150 nan 0.000 0.488 251 K N -0.215 120.250 120.400 0.108 0.000 2.511 251 K HA 0.272 4.593 4.320 0.001 0.000 0.280 251 K C 1.219 177.881 176.600 0.103 0.000 1.008 251 K CA 0.876 57.227 56.287 0.106 0.000 1.050 251 K CB 0.039 32.588 32.500 0.081 0.000 0.889 251 K HN 0.596 nan 8.250 nan 0.000 0.484 252 G N 2.106 110.970 108.800 0.107 0.000 2.217 252 G HA2 -0.264 3.696 3.960 0.001 0.000 0.246 252 G HA3 -0.264 3.696 3.960 0.001 0.000 0.246 252 G C 0.645 175.582 174.900 0.062 0.000 0.990 252 G CA 0.094 45.245 45.100 0.085 0.000 0.627 252 G HN 0.532 nan 8.290 nan 0.000 0.522 253 L N -0.362 120.897 121.223 0.059 0.000 1.970 253 L HA 0.204 4.544 4.340 0.001 0.000 0.212 253 L C 1.350 178.200 176.870 -0.034 0.000 1.071 253 L CA 2.012 56.859 54.840 0.012 0.000 0.751 253 L CB -0.851 41.215 42.059 0.012 0.000 0.889 253 L HN 0.349 nan 8.230 nan 0.000 0.432 254 L N -0.213 120.976 121.223 -0.057 0.000 2.360 254 L HA 0.386 4.727 4.340 0.001 0.000 0.271 254 L C -2.053 174.880 176.870 0.105 0.000 1.057 254 L CA -1.760 53.035 54.840 -0.075 0.000 0.803 254 L CB 0.399 42.212 42.059 -0.410 0.000 1.207 254 L HN -0.030 nan 8.230 nan 0.000 0.445 255 P HA 0.001 nan 4.420 nan 0.000 0.264 255 P C -0.277 177.157 177.300 0.223 0.000 1.183 255 P CA 0.102 63.299 63.100 0.162 0.000 0.763 255 P CB 0.505 32.296 31.700 0.152 0.000 0.807 256 D N 1.637 122.129 120.400 0.154 0.000 2.310 256 D HA -0.114 4.527 4.640 0.001 0.000 0.212 256 D C 1.075 177.437 176.300 0.102 0.000 0.965 256 D CA 1.144 55.223 54.000 0.131 0.000 0.879 256 D CB -0.377 40.470 40.800 0.079 0.000 0.921 256 D HN 0.461 nan 8.370 nan 0.000 0.510 257 N N -0.124 118.640 118.700 0.106 0.000 2.295 257 N HA -0.123 4.618 4.740 0.001 0.000 0.221 257 N C 0.233 175.804 175.510 0.101 0.000 1.129 257 N CA -0.183 52.909 53.050 0.069 0.000 0.836 257 N CB -0.704 37.804 38.487 0.036 0.000 1.040 257 N HN 0.165 nan 8.380 nan 0.000 0.494 258 H N 2.348 121.483 119.070 0.107 0.000 2.928 258 H HA 0.067 4.624 4.556 0.001 0.000 0.338 258 H C -1.338 174.048 175.328 0.096 0.000 1.047 258 H CA -0.815 55.326 56.048 0.154 0.000 1.435 258 H CB 1.479 31.448 29.762 0.345 0.000 1.428 258 H HN 0.051 nan 8.280 nan 0.000 0.590 259 P HA -0.106 nan 4.420 nan 0.000 0.225 259 P C 0.567 177.930 177.300 0.105 0.000 1.148 259 P CA 1.095 64.188 63.100 -0.013 0.000 0.779 259 P CB 0.264 31.909 31.700 -0.092 0.000 0.780 260 Q N -0.676 119.357 119.800 0.388 0.000 2.360 260 Q HA 0.106 4.446 4.340 0.001 0.000 0.202 260 Q C 0.718 176.712 176.000 -0.010 0.000 0.915 260 Q CA -0.133 55.855 55.803 0.308 0.000 0.943 260 Q CB 0.119 29.161 28.738 0.508 0.000 1.064 260 Q HN 0.076 nan 8.270 nan 0.000 0.511 261 S N -0.104 115.451 115.700 -0.242 0.000 2.531 261 S HA 0.311 4.782 4.470 0.001 0.000 0.279 261 S C 0.455 174.808 174.600 -0.411 0.000 1.305 261 S CA -0.120 57.606 58.200 -0.790 0.000 1.058 261 S CB 0.977 63.838 63.200 -0.566 0.000 0.899 261 S HN 0.348 nan 8.310 nan 0.000 0.493 262 A N 4.313 126.885 122.820 -0.414 0.000 2.535 262 A HA 0.613 4.934 4.320 0.001 0.000 0.273 262 A C 1.762 179.232 177.584 -0.191 0.000 1.267 262 A CA 0.422 52.316 52.037 -0.237 0.000 0.940 262 A CB -0.545 18.348 19.000 -0.178 0.000 1.101 262 A HN 1.049 nan 8.150 nan 0.000 0.521 263 A N 0.396 123.083 122.820 -0.222 0.000 1.917 263 A HA 0.029 4.350 4.320 0.001 0.000 0.219 263 A C 2.224 179.746 177.584 -0.104 0.000 1.182 263 A CA 1.994 53.945 52.037 -0.144 0.000 0.633 263 A CB -0.675 18.247 19.000 -0.130 0.000 0.819 263 A HN 1.234 nan 8.150 nan 0.000 0.448 264 A N -2.270 120.486 122.820 -0.107 0.000 2.235 264 A HA 0.234 4.555 4.320 0.001 0.000 0.208 264 A C 1.487 179.021 177.584 -0.083 0.000 1.172 264 A CA 1.633 53.619 52.037 -0.084 0.000 0.786 264 A CB -0.414 18.537 19.000 -0.082 0.000 0.804 264 A HN 0.438 nan 8.150 nan 0.000 0.479 265 T N -1.477 113.025 114.554 -0.086 0.000 3.633 265 T HA 0.209 4.559 4.350 0.001 0.000 0.278 265 T C 1.082 175.767 174.700 -0.025 0.000 0.991 265 T CA -0.283 61.781 62.100 -0.060 0.000 1.036 265 T CB -0.473 68.341 68.868 -0.090 0.000 1.148 265 T HN 0.513 nan 8.240 nan 0.000 0.501 266 R N 0.667 121.136 120.500 -0.051 0.000 2.073 266 R HA -0.007 4.334 4.340 0.001 0.000 0.234 266 R C 2.405 178.660 176.300 -0.076 0.000 1.134 266 R CA 1.940 57.998 56.100 -0.069 0.000 0.952 266 R CB -0.444 29.803 30.300 -0.089 0.000 0.850 266 R HN 0.458 nan 8.270 nan 0.000 0.433 267 A N 0.709 123.496 122.820 -0.055 0.000 1.859 267 A HA -0.251 4.070 4.320 0.001 0.000 0.217 267 A C 2.075 179.649 177.584 -0.016 0.000 1.198 267 A CA 1.713 53.713 52.037 -0.062 0.000 0.629 267 A CB -1.045 17.943 19.000 -0.020 0.000 0.830 267 A HN 0.562 nan 8.150 nan 0.000 0.446 268 F N 0.711 120.615 119.950 -0.077 0.000 2.171 268 F HA -0.040 4.488 4.527 0.001 0.000 0.300 268 F C 2.507 178.323 175.800 0.027 0.000 1.090 268 F CA 1.168 59.149 58.000 -0.031 0.000 1.293 268 F CB -0.330 38.641 39.000 -0.048 0.000 1.013 268 F HN 0.262 nan 8.300 nan 0.000 0.486 269 A N 0.687 123.562 122.820 0.091 0.000 1.858 269 A HA -0.122 4.198 4.320 0.001 0.000 0.216 269 A C 2.294 179.924 177.584 0.076 0.000 1.190 269 A CA 1.796 53.907 52.037 0.123 0.000 0.617 269 A CB -1.145 17.897 19.000 0.070 0.000 0.827 269 A HN 0.454 nan 8.150 nan 0.000 0.443 270 L N -0.833 120.320 121.223 -0.118 0.000 2.027 270 L HA -0.182 4.159 4.340 0.001 0.000 0.206 270 L C 3.112 179.834 176.870 -0.247 0.000 1.074 270 L CA 1.152 55.794 54.840 -0.330 0.000 0.745 270 L CB -0.708 40.864 42.059 -0.811 0.000 0.898 270 L HN 0.450 nan 8.230 nan 0.000 0.433 271 A N -0.830 121.847 122.820 -0.239 0.000 1.972 271 A HA -0.191 4.130 4.320 0.001 0.000 0.219 271 A C 2.150 179.648 177.584 -0.144 0.000 1.169 271 A CA 1.416 53.356 52.037 -0.161 0.000 0.635 271 A CB -0.205 18.701 19.000 -0.157 0.000 0.810 271 A HN 0.458 nan 8.150 nan 0.000 0.446 272 Q N -0.909 118.765 119.800 -0.211 0.000 2.317 272 Q HA 0.095 4.436 4.340 0.001 0.000 0.220 272 Q C 1.041 176.894 176.000 -0.245 0.000 0.873 272 Q CA 0.495 56.150 55.803 -0.247 0.000 0.936 272 Q CB -0.391 28.057 28.738 -0.484 0.000 1.105 272 Q HN 0.844 nan 8.270 nan 0.000 0.520 273 C N 1.675 120.886 119.300 -0.148 0.000 2.727 273 C HA 0.179 4.639 4.460 0.001 0.000 0.401 273 C C 1.490 176.333 174.990 -0.245 0.000 1.294 273 C CA -0.230 58.624 59.018 -0.275 0.000 2.134 273 C CB 0.519 28.255 27.740 -0.006 0.000 2.724 273 C HN 0.461 nan 8.230 nan 0.000 0.677 274 D N 1.166 121.380 120.400 -0.309 0.000 2.490 274 D HA 0.063 4.703 4.640 0.001 0.000 0.244 274 D C 0.275 176.460 176.300 -0.192 0.000 0.979 274 D CA 0.392 54.256 54.000 -0.227 0.000 0.924 274 D CB -0.483 40.179 40.800 -0.230 0.000 1.075 274 D HN 0.475 nan 8.370 nan 0.000 0.488 275 V N 0.947 120.760 119.914 -0.167 0.000 2.398 275 V HA 0.337 4.458 4.120 0.001 0.000 0.286 275 V C -0.379 175.693 176.094 -0.038 0.000 1.026 275 V CA -1.175 61.056 62.300 -0.114 0.000 0.868 275 V CB 1.594 33.371 31.823 -0.076 0.000 0.982 275 V HN 0.461 nan 8.190 nan 0.000 0.443 276 C N 6.460 125.746 119.300 -0.023 0.000 2.301 276 C HA 0.701 5.162 4.460 0.001 0.000 0.323 276 C C -0.088 175.012 174.990 0.183 0.000 1.265 276 C CA -0.335 58.766 59.018 0.140 0.000 1.503 276 C CB 0.362 28.259 27.740 0.261 0.000 2.195 276 C HN 0.700 nan 8.230 nan 0.000 0.477 277 V N 8.489 128.499 119.914 0.162 0.000 2.320 277 V HA 0.283 4.404 4.120 0.001 0.000 0.265 277 V C 0.141 176.315 176.094 0.133 0.000 1.048 277 V CA -0.065 62.312 62.300 0.130 0.000 0.865 277 V CB 0.664 32.545 31.823 0.096 0.000 1.043 277 V HN 0.742 nan 8.190 nan 0.000 0.474 278 L N 6.614 127.907 121.223 0.117 0.000 2.260 278 L HA 0.526 4.867 4.340 0.001 0.000 0.289 278 L C -0.264 176.637 176.870 0.050 0.000 1.057 278 L CA -0.043 54.844 54.840 0.079 0.000 0.811 278 L CB 0.762 42.834 42.059 0.023 0.000 1.184 278 L HN 0.485 nan 8.230 nan 0.000 0.429 279 I N 3.338 123.940 120.570 0.053 0.000 2.359 279 I HA 0.281 4.451 4.170 0.001 0.000 0.284 279 I C 1.015 177.157 176.117 0.041 0.000 1.018 279 I CA -0.461 60.864 61.300 0.041 0.000 1.173 279 I CB 1.386 39.408 38.000 0.037 0.000 1.326 279 I HN 0.858 nan 8.210 nan 0.000 0.462 280 G N 4.960 113.780 108.800 0.033 0.000 2.323 280 G HA2 -0.112 3.849 3.960 0.001 0.000 0.292 280 G HA3 -0.112 3.849 3.960 0.001 0.000 0.292 280 G C 0.050 174.964 174.900 0.025 0.000 1.040 280 G CA 0.356 45.477 45.100 0.037 0.000 0.942 280 G HN 0.959 nan 8.290 nan 0.000 0.506 281 A N -0.119 122.703 122.820 0.004 0.000 2.375 281 A HA 0.818 5.139 4.320 0.001 0.000 0.295 281 A C 0.236 177.791 177.584 -0.048 0.000 1.066 281 A CA -0.643 51.386 52.037 -0.014 0.000 0.722 281 A CB 1.105 20.113 19.000 0.012 0.000 1.206 281 A HN 0.462 nan 8.150 nan 0.000 0.435 282 R N 1.117 121.575 120.500 -0.070 0.000 2.490 282 R HA 0.321 4.662 4.340 0.001 0.000 0.278 282 R C -0.320 175.913 176.300 -0.111 0.000 1.069 282 R CA -0.715 55.333 56.100 -0.088 0.000 1.080 282 R CB 0.685 30.940 30.300 -0.075 0.000 1.030 282 R HN 0.521 nan 8.270 nan 0.000 0.491 283 L N 4.190 125.329 121.223 -0.139 0.000 2.919 283 L HA 0.015 4.356 4.340 0.001 0.000 0.242 283 L C 0.236 177.050 176.870 -0.092 0.000 1.366 283 L CA 0.289 55.029 54.840 -0.167 0.000 1.212 283 L CB -1.687 40.195 42.059 -0.296 0.000 1.604 283 L HN 0.600 nan 8.230 nan 0.000 0.433 284 N N -1.642 116.994 118.700 -0.108 0.000 2.465 284 N HA -0.017 4.723 4.740 0.001 0.000 0.294 284 N C 1.331 176.597 175.510 -0.405 0.000 1.333 284 N CA 0.035 53.042 53.050 -0.071 0.000 0.932 284 N CB -0.537 37.977 38.487 0.043 0.000 1.092 284 N HN 0.299 nan 8.380 nan 0.000 0.519 285 W N -0.820 120.246 121.300 -0.391 0.000 2.425 285 W HA 0.045 4.706 4.660 0.001 0.000 0.277 285 W C 1.122 177.520 176.519 -0.202 0.000 1.231 285 W CA 0.234 57.325 57.345 -0.424 0.000 1.248 285 W CB -1.233 28.175 29.460 -0.087 0.000 1.117 285 W HN 0.251 nan 8.180 nan 0.000 0.568 286 L N 0.941 121.495 121.223 -1.115 0.000 2.265 286 L HA -0.116 4.225 4.340 0.001 0.000 0.215 286 L C 2.271 178.909 176.870 -0.385 0.000 1.117 286 L CA 1.131 55.404 54.840 -0.944 0.000 0.782 286 L CB -0.433 41.105 42.059 -0.867 0.000 0.914 286 L HN -0.061 nan 8.230 nan 0.000 0.441 287 M N -1.088 118.376 119.600 -0.227 0.000 2.496 287 M HA 0.137 4.618 4.480 0.001 0.000 0.330 287 M C -0.078 176.351 176.300 0.214 0.000 1.133 287 M CA 0.003 55.342 55.300 0.065 0.000 0.964 287 M CB 0.862 33.574 32.600 0.186 0.000 1.401 287 M HN 0.006 nan 8.290 nan 0.000 0.520 288 Q N 0.153 119.950 119.800 -0.004 0.000 2.461 288 Q HA -0.208 4.133 4.340 0.001 0.000 0.273 288 Q C -0.101 175.984 176.000 0.141 0.000 1.163 288 Q CA 0.936 56.782 55.803 0.072 0.000 0.929 288 Q CB -2.592 26.270 28.738 0.206 0.000 1.334 288 Q HN 0.600 nan 8.270 nan 0.000 0.499 289 H N -4.033 115.114 119.070 0.128 0.000 3.047 289 H HA -0.246 4.311 4.556 0.001 0.000 0.263 289 H C 1.281 176.547 175.328 -0.103 0.000 1.168 289 H CA 1.773 57.832 56.048 0.018 0.000 1.152 289 H CB -1.765 28.024 29.762 0.044 0.000 1.278 289 H HN 1.094 nan 8.280 nan 0.000 0.339 290 G N 0.296 109.018 108.800 -0.131 0.000 2.153 290 G HA2 -0.331 3.629 3.960 0.001 0.000 0.252 290 G HA3 -0.331 3.629 3.960 0.001 0.000 0.252 290 G C 0.248 174.935 174.900 -0.355 0.000 0.994 290 G CA 1.045 45.740 45.100 -0.674 0.000 0.698 290 G HN 0.808 nan 8.290 nan 0.000 0.521 291 K N -1.032 119.415 120.400 0.079 0.000 2.433 291 K HA 0.825 5.145 4.320 0.001 0.000 0.252 291 K C 0.718 177.502 176.600 0.306 0.000 1.015 291 K CA -0.586 55.810 56.287 0.181 0.000 0.860 291 K CB 1.900 34.468 32.500 0.114 0.000 1.359 291 K HN 1.669 nan 8.250 nan 0.000 0.452 292 G N 1.190 110.119 108.800 0.215 0.000 2.693 292 G HA2 -0.299 3.662 3.960 0.001 0.000 0.226 292 G HA3 -0.299 3.662 3.960 0.001 0.000 0.226 292 G C 0.332 175.335 174.900 0.171 0.000 1.354 292 G CA 0.216 45.419 45.100 0.172 0.000 0.873 292 G HN 0.667 nan 8.290 nan 0.000 0.562 293 K N -0.888 119.576 120.400 0.107 0.000 2.059 293 K HA -0.178 4.143 4.320 0.001 0.000 0.212 293 K C 2.919 179.533 176.600 0.023 0.000 1.050 293 K CA 2.480 58.803 56.287 0.059 0.000 0.927 293 K CB -0.450 32.072 32.500 0.036 0.000 0.714 293 K HN 0.746 nan 8.250 nan 0.000 0.447 294 T N -1.362 113.189 114.554 -0.005 0.000 2.977 294 T HA -0.148 4.202 4.350 0.001 0.000 0.271 294 T C 0.756 175.195 174.700 -0.434 0.000 1.105 294 T CA 0.929 62.901 62.100 -0.212 0.000 1.116 294 T CB -0.114 68.605 68.868 -0.249 0.000 0.878 294 T HN 0.394 nan 8.240 nan 0.000 0.509 295 W N 0.329 121.643 121.300 0.023 0.000 2.818 295 W HA 0.566 5.226 4.660 0.001 0.000 0.403 295 W C 1.431 177.940 176.519 -0.016 0.000 0.991 295 W CA -0.381 56.971 57.345 0.013 0.000 1.925 295 W CB 0.072 29.562 29.460 0.050 0.000 1.166 295 W HN 0.272 nan 8.180 nan 0.000 0.605 296 G N 1.521 110.387 108.800 0.111 0.000 2.176 296 G HA2 -0.335 3.625 3.960 0.001 0.000 0.252 296 G HA3 -0.335 3.625 3.960 0.001 0.000 0.252 296 G C 0.163 175.106 174.900 0.072 0.000 1.024 296 G CA 0.230 45.364 45.100 0.057 0.000 0.755 296 G HN 0.310 nan 8.290 nan 0.000 0.507 297 D N -0.390 120.075 120.400 0.109 0.000 2.708 297 D HA -0.156 4.485 4.640 0.001 0.000 0.236 297 D C 0.566 176.905 176.300 0.065 0.000 1.146 297 D CA 2.060 56.112 54.000 0.087 0.000 0.662 297 D CB -1.048 39.786 40.800 0.056 0.000 1.059 297 D HN 1.181 nan 8.370 nan 0.000 0.428 298 E N -1.325 118.921 120.200 0.078 0.000 2.412 298 E HA 0.471 4.822 4.350 0.001 0.000 0.279 298 E C -0.967 175.639 176.600 0.010 0.000 0.984 298 E CA -1.156 55.262 56.400 0.030 0.000 0.788 298 E CB 1.443 31.147 29.700 0.006 0.000 1.277 298 E HN -0.021 nan 8.360 nan 0.000 0.455 299 L N 2.290 123.493 121.223 -0.033 0.000 2.325 299 L HA 0.283 4.624 4.340 0.001 0.000 0.284 299 L C -0.449 176.311 176.870 -0.183 0.000 1.089 299 L CA -0.289 54.502 54.840 -0.082 0.000 0.836 299 L CB 0.023 42.054 42.059 -0.047 0.000 1.184 299 L HN 0.410 nan 8.230 nan 0.000 0.444 300 K N 4.275 124.450 120.400 -0.376 0.000 2.187 300 K HA 0.127 4.448 4.320 0.001 0.000 0.247 300 K C -0.219 176.064 176.600 -0.529 0.000 1.019 300 K CA -0.115 55.864 56.287 -0.514 0.000 0.893 300 K CB 0.228 32.260 32.500 -0.780 0.000 1.025 300 K HN 0.481 nan 8.250 nan 0.000 0.500 301 K N 2.184 122.356 120.400 -0.380 0.000 2.219 301 K HA 0.126 4.446 4.320 0.001 0.000 0.280 301 K C -0.740 175.708 176.600 -0.254 0.000 1.104 301 K CA -0.178 55.963 56.287 -0.244 0.000 0.925 301 K CB 0.021 32.436 32.500 -0.140 0.000 1.261 301 K HN 0.281 nan 8.250 nan 0.000 0.445 302 Y N 1.360 121.614 120.300 -0.077 0.000 2.359 302 Y HA 0.078 4.628 4.550 0.001 0.000 0.334 302 Y C 0.580 176.453 175.900 -0.045 0.000 1.058 302 Y CA -0.572 57.483 58.100 -0.074 0.000 1.244 302 Y CB 0.759 39.150 38.460 -0.115 0.000 1.187 302 Y HN 0.170 nan 8.280 nan 0.000 0.510 303 V N 4.527 124.524 119.914 0.139 0.000 2.481 303 V HA 0.393 4.513 4.120 0.001 0.000 0.286 303 V C -0.365 175.781 176.094 0.087 0.000 1.042 303 V CA -0.841 61.510 62.300 0.085 0.000 0.928 303 V CB 1.475 33.332 31.823 0.058 0.000 0.986 303 V HN 0.741 nan 8.190 nan 0.000 0.462 304 Q N 3.949 123.777 119.800 0.047 0.000 2.271 304 Q HA 0.590 4.930 4.340 0.001 0.000 0.268 304 Q C -1.732 174.276 176.000 0.013 0.000 1.021 304 Q CA -0.531 55.284 55.803 0.020 0.000 0.802 304 Q CB 2.029 30.755 28.738 -0.020 0.000 1.282 304 Q HN 0.763 nan 8.270 nan 0.000 0.431 305 I N 3.576 124.155 120.570 0.015 0.000 2.330 305 I HA 0.461 4.631 4.170 0.001 0.000 0.289 305 I C -0.713 175.410 176.117 0.010 0.000 1.001 305 I CA -0.386 60.922 61.300 0.014 0.000 1.193 305 I CB 1.337 39.349 38.000 0.020 0.000 1.345 305 I HN 0.575 nan 8.210 nan 0.000 0.461 306 D N 5.034 125.438 120.400 0.006 0.000 2.803 306 D HA 0.228 4.868 4.640 0.001 0.000 0.218 306 D C 0.179 176.483 176.300 0.006 0.000 1.245 306 D CA -0.495 53.507 54.000 0.003 0.000 0.821 306 D CB 2.862 43.655 40.800 -0.012 0.000 1.626 306 D HN 0.453 nan 8.370 nan 0.000 0.487 307 I N 1.487 122.063 120.570 0.011 0.000 2.761 307 I HA -0.109 4.062 4.170 0.001 0.000 0.261 307 I C 0.564 176.684 176.117 0.005 0.000 1.198 307 I CA 0.856 62.165 61.300 0.015 0.000 1.482 307 I CB 0.284 38.300 38.000 0.028 0.000 1.100 307 I HN 0.191 nan 8.210 nan 0.000 0.445 308 Q N 0.509 120.305 119.800 -0.006 0.000 2.377 308 Q HA 0.331 4.672 4.340 0.001 0.000 0.249 308 Q C 0.847 176.839 176.000 -0.013 0.000 1.005 308 Q CA 0.375 56.171 55.803 -0.012 0.000 0.912 308 Q CB 1.369 30.092 28.738 -0.024 0.000 1.223 308 Q HN 0.363 nan 8.270 nan 0.000 0.459 309 A N 4.202 127.017 122.820 -0.008 0.000 1.892 309 A HA -0.224 4.096 4.320 0.001 0.000 0.218 309 A C 1.393 178.969 177.584 -0.013 0.000 1.188 309 A CA 2.018 54.050 52.037 -0.008 0.000 0.631 309 A CB -0.618 18.380 19.000 -0.004 0.000 0.822 309 A HN 0.887 nan 8.150 nan 0.000 0.447 310 N N -0.434 118.257 118.700 -0.015 0.000 2.449 310 N HA -0.034 4.706 4.740 0.001 0.000 0.191 310 N C 0.942 176.438 175.510 -0.024 0.000 1.161 310 N CA 1.118 54.158 53.050 -0.017 0.000 0.863 310 N CB -0.053 38.425 38.487 -0.015 0.000 0.980 310 N HN 0.430 nan 8.380 nan 0.000 0.458 311 E N 0.416 120.599 120.200 -0.028 0.000 2.204 311 E HA 0.013 4.364 4.350 0.001 0.000 0.194 311 E C 0.357 176.930 176.600 -0.044 0.000 0.989 311 E CA 0.484 56.862 56.400 -0.037 0.000 0.824 311 E CB -0.134 29.541 29.700 -0.041 0.000 0.756 311 E HN 0.276 nan 8.360 nan 0.000 0.477 312 M N 1.382 120.959 119.600 -0.038 0.000 2.249 312 M HA -0.012 4.469 4.480 0.001 0.000 0.340 312 M C -0.039 176.236 176.300 -0.041 0.000 1.166 312 M CA 0.664 55.939 55.300 -0.041 0.000 1.115 312 M CB 0.095 32.679 32.600 -0.026 0.000 1.606 312 M HN 0.012 nan 8.290 nan 0.000 0.448 313 D N 0.282 120.652 120.400 -0.051 0.000 2.983 313 D HA -0.161 4.480 4.640 0.001 0.000 0.225 313 D C 1.141 177.414 176.300 -0.044 0.000 1.174 313 D CA 1.307 55.280 54.000 -0.045 0.000 0.831 313 D CB -1.240 39.543 40.800 -0.028 0.000 1.104 313 D HN 0.813 nan 8.370 nan 0.000 0.421 314 S N -1.544 114.125 115.700 -0.051 0.000 2.423 314 S HA -0.094 4.377 4.470 0.001 0.000 0.231 314 S C 1.486 176.065 174.600 -0.035 0.000 1.014 314 S CA 0.991 59.169 58.200 -0.037 0.000 0.965 314 S CB 0.467 63.649 63.200 -0.031 0.000 0.785 314 S HN 0.385 nan 8.310 nan 0.000 0.495 315 N N -0.563 118.104 118.700 -0.054 0.000 2.631 315 N HA 0.188 4.928 4.740 0.001 0.000 0.255 315 N C -0.259 175.216 175.510 -0.059 0.000 1.037 315 N CA 0.185 53.209 53.050 -0.043 0.000 0.919 315 N CB 0.640 39.118 38.487 -0.015 0.000 1.708 315 N HN 0.271 nan 8.380 nan 0.000 0.530 316 Q N 0.868 120.609 119.800 -0.098 0.000 2.451 316 Q HA 0.508 4.849 4.340 0.001 0.000 0.281 316 Q C -2.687 173.292 176.000 -0.036 0.000 1.099 316 Q CA -1.661 54.108 55.803 -0.056 0.000 0.806 316 Q CB 2.169 30.884 28.738 -0.038 0.000 1.419 316 Q HN 0.041 nan 8.270 nan 0.000 0.427 317 P HA 0.127 nan 4.420 nan 0.000 0.268 317 P C -0.594 176.739 177.300 0.055 0.000 1.205 317 P CA 0.032 63.141 63.100 0.014 0.000 0.771 317 P CB 0.465 32.173 31.700 0.012 0.000 0.858 318 I N 2.386 122.975 120.570 0.031 0.000 2.354 318 I HA 0.194 4.365 4.170 0.001 0.000 0.286 318 I C 1.363 177.505 176.117 0.041 0.000 1.007 318 I CA -0.652 60.682 61.300 0.056 0.000 1.167 318 I CB 0.634 38.639 38.000 0.008 0.000 1.320 318 I HN 0.403 nan 8.210 nan 0.000 0.458 319 A N 5.614 128.463 122.820 0.049 0.000 1.902 319 A HA 0.122 4.442 4.320 0.001 0.000 0.217 319 A C 1.248 178.841 177.584 0.015 0.000 1.181 319 A CA 1.518 53.565 52.037 0.017 0.000 0.623 319 A CB 0.070 19.068 19.000 -0.002 0.000 0.818 319 A HN 0.737 nan 8.150 nan 0.000 0.443 320 A N 0.343 123.178 122.820 0.025 0.000 2.978 320 A HA 0.585 4.906 4.320 0.001 0.000 0.341 320 A C -2.901 174.695 177.584 0.019 0.000 1.105 320 A CA -1.501 50.546 52.037 0.018 0.000 0.819 320 A CB 0.328 19.338 19.000 0.017 0.000 1.080 320 A HN 0.221 nan 8.150 nan 0.000 0.476 321 P HA 0.279 nan 4.420 nan 0.000 0.276 321 P C -0.458 176.846 177.300 0.007 0.000 1.243 321 P CA 0.151 63.255 63.100 0.006 0.000 0.768 321 P CB 1.533 33.233 31.700 -0.000 0.000 0.856 322 V N 5.200 125.118 119.914 0.008 0.000 2.350 322 V HA 0.204 4.325 4.120 0.001 0.000 0.285 322 V C 0.277 176.375 176.094 0.007 0.000 1.014 322 V CA -0.714 61.591 62.300 0.008 0.000 0.831 322 V CB 1.940 33.770 31.823 0.012 0.000 1.000 322 V HN 0.256 nan 8.190 nan 0.000 0.433 323 V N 4.562 124.479 119.914 0.006 0.000 2.370 323 V HA 0.995 5.116 4.120 0.001 0.000 0.283 323 V C 0.654 176.754 176.094 0.010 0.000 1.023 323 V CA 0.502 62.806 62.300 0.006 0.000 0.857 323 V CB 0.990 32.815 31.823 0.003 0.000 0.985 323 V HN 1.144 nan 8.190 nan 0.000 0.443 324 G N 3.890 112.697 108.800 0.013 0.000 2.337 324 G HA2 0.195 4.155 3.960 0.001 0.000 0.298 324 G HA3 0.195 4.155 3.960 0.001 0.000 0.298 324 G C -1.364 173.550 174.900 0.024 0.000 1.335 324 G CA -0.507 44.604 45.100 0.017 0.000 0.875 324 G HN 0.744 nan 8.290 nan 0.000 0.579 325 D N -0.425 119.992 120.400 0.028 0.000 2.382 325 D HA 0.169 4.809 4.640 0.001 0.000 0.245 325 D C 1.358 177.676 176.300 0.030 0.000 1.120 325 D CA -0.419 53.603 54.000 0.037 0.000 0.890 325 D CB 1.717 42.540 40.800 0.039 0.000 1.201 325 D HN 0.297 nan 8.370 nan 0.000 0.433 326 I N 1.628 122.220 120.570 0.037 0.000 2.208 326 I HA -0.285 3.885 4.170 0.001 0.000 0.245 326 I C 2.709 178.834 176.117 0.013 0.000 1.097 326 I CA 1.264 62.580 61.300 0.027 0.000 1.363 326 I CB -0.301 37.721 38.000 0.038 0.000 1.051 326 I HN 0.525 nan 8.210 nan 0.000 0.413 327 K N 0.501 120.907 120.400 0.009 0.000 2.032 327 K HA -0.184 4.137 4.320 0.001 0.000 0.209 327 K C 2.282 178.882 176.600 0.000 0.000 1.048 327 K CA 1.885 58.170 56.287 -0.002 0.000 0.927 327 K CB -0.022 32.472 32.500 -0.010 0.000 0.712 327 K HN 0.192 nan 8.250 nan 0.000 0.441 328 S N 0.367 116.071 115.700 0.006 0.000 2.355 328 S HA -0.115 4.355 4.470 0.001 0.000 0.222 328 S C 1.992 176.595 174.600 0.006 0.000 1.031 328 S CA 1.183 59.387 58.200 0.006 0.000 0.993 328 S CB -0.209 62.997 63.200 0.009 0.000 0.859 328 S HN 0.524 nan 8.310 nan 0.000 0.453 329 A N 0.993 123.818 122.820 0.009 0.000 1.898 329 A HA -0.020 4.300 4.320 0.001 0.000 0.216 329 A C 2.327 179.915 177.584 0.006 0.000 1.181 329 A CA 1.401 53.443 52.037 0.009 0.000 0.620 329 A CB -0.849 18.159 19.000 0.012 0.000 0.819 329 A HN 0.339 nan 8.150 nan 0.000 0.442 330 V N -0.395 119.521 119.914 0.004 0.000 2.358 330 V HA -0.201 3.920 4.120 0.001 0.000 0.246 330 V C 2.793 178.885 176.094 -0.003 0.000 1.047 330 V CA 2.206 64.506 62.300 -0.001 0.000 1.035 330 V CB -0.751 31.068 31.823 -0.008 0.000 0.658 330 V HN 0.665 nan 8.190 nan 0.000 0.452 331 S N -0.356 115.342 115.700 -0.003 0.000 2.374 331 S HA -0.188 4.282 4.470 0.001 0.000 0.227 331 S C 1.911 176.510 174.600 -0.000 0.000 1.037 331 S CA 1.844 60.042 58.200 -0.003 0.000 1.024 331 S CB -0.284 62.914 63.200 -0.003 0.000 0.861 331 S HN 0.520 nan 8.310 nan 0.000 0.456 332 L N 0.359 121.583 121.223 0.002 0.000 2.095 332 L HA 0.016 4.357 4.340 0.001 0.000 0.204 332 L C 2.438 179.311 176.870 0.004 0.000 1.080 332 L CA 0.684 55.526 54.840 0.003 0.000 0.759 332 L CB -0.508 41.553 42.059 0.005 0.000 0.914 332 L HN 0.338 nan 8.230 nan 0.000 0.439 333 L N 0.109 121.335 121.223 0.005 0.000 2.127 333 L HA -0.185 4.156 4.340 0.001 0.000 0.211 333 L C 2.658 179.531 176.870 0.006 0.000 1.089 333 L CA 1.676 56.520 54.840 0.007 0.000 0.757 333 L CB -0.572 41.493 42.059 0.009 0.000 0.899 333 L HN 0.097 nan 8.230 nan 0.000 0.434 334 R N -0.612 119.891 120.500 0.004 0.000 2.066 334 R HA -0.126 4.215 4.340 0.001 0.000 0.232 334 R C 2.239 178.542 176.300 0.005 0.000 1.131 334 R CA 1.616 57.718 56.100 0.003 0.000 0.955 334 R CB -0.210 30.089 30.300 -0.001 0.000 0.851 334 R HN 0.371 nan 8.270 nan 0.000 0.432 335 K N 0.149 120.551 120.400 0.004 0.000 2.097 335 K HA -0.069 4.252 4.320 0.001 0.000 0.206 335 K C 2.055 178.659 176.600 0.005 0.000 1.049 335 K CA 1.292 57.582 56.287 0.004 0.000 0.933 335 K CB -0.085 32.417 32.500 0.003 0.000 0.717 335 K HN 0.138 nan 8.250 nan 0.000 0.442 336 A N 0.986 123.810 122.820 0.006 0.000 2.015 336 A HA -0.065 4.255 4.320 0.001 0.000 0.219 336 A C 1.895 179.483 177.584 0.008 0.000 1.163 336 A CA 1.136 53.177 52.037 0.006 0.000 0.646 336 A CB -0.277 18.727 19.000 0.006 0.000 0.806 336 A HN 0.172 nan 8.150 nan 0.000 0.448 337 L N -1.299 119.929 121.223 0.009 0.000 2.585 337 L HA 0.139 4.479 4.340 0.001 0.000 0.226 337 L C 0.556 177.433 176.870 0.012 0.000 1.113 337 L CA -0.304 54.543 54.840 0.012 0.000 0.876 337 L CB 0.003 42.071 42.059 0.015 0.000 1.072 337 L HN 0.047 nan 8.230 nan 0.000 0.468 338 K N 1.159 121.565 120.400 0.010 0.000 2.472 338 K HA 0.195 4.516 4.320 0.001 0.000 0.280 338 K C 1.089 177.696 176.600 0.011 0.000 1.028 338 K CA 1.072 57.365 56.287 0.010 0.000 1.045 338 K CB 0.140 32.645 32.500 0.008 0.000 0.902 338 K HN 0.238 nan 8.250 nan 0.000 0.478 339 G N 1.932 110.740 108.800 0.013 0.000 2.199 339 G HA2 -0.264 3.696 3.960 0.001 0.000 0.254 339 G HA3 -0.264 3.696 3.960 0.001 0.000 0.254 339 G C 0.290 175.199 174.900 0.015 0.000 0.982 339 G CA 0.152 45.259 45.100 0.013 0.000 0.632 339 G HN 0.935 nan 8.290 nan 0.000 0.529 340 A N 0.745 123.575 122.820 0.016 0.000 2.366 340 A HA 0.689 5.010 4.320 0.001 0.000 0.249 340 A C -1.084 176.514 177.584 0.022 0.000 1.084 340 A CA -0.406 51.642 52.037 0.017 0.000 0.794 340 A CB -0.112 18.898 19.000 0.017 0.000 1.034 340 A HN 0.255 nan 8.150 nan 0.000 0.491 341 P HA 0.117 nan 4.420 nan 0.000 0.267 341 P C -0.197 177.125 177.300 0.038 0.000 1.200 341 P CA 0.059 63.176 63.100 0.029 0.000 0.772 341 P CB 0.388 32.104 31.700 0.026 0.000 0.855 342 K N 1.039 121.466 120.400 0.045 0.000 2.149 342 K HA 0.433 4.754 4.320 0.001 0.000 0.245 342 K C 0.393 177.037 176.600 0.073 0.000 1.024 342 K CA -0.519 55.804 56.287 0.060 0.000 0.899 342 K CB 0.352 32.889 32.500 0.062 0.000 1.038 342 K HN 0.546 nan 8.250 nan 0.000 0.496 343 A N 1.231 124.111 122.820 0.099 0.000 2.466 343 A HA -0.043 4.278 4.320 0.001 0.000 0.238 343 A C -0.294 177.375 177.584 0.141 0.000 1.074 343 A CA -0.080 52.036 52.037 0.131 0.000 0.774 343 A CB -0.159 18.959 19.000 0.196 0.000 1.015 343 A HN 0.741 nan 8.150 nan 0.000 0.498 344 D N 0.935 121.425 120.400 0.150 0.000 2.581 344 D HA 0.237 4.878 4.640 0.001 0.000 0.238 344 D C 1.305 177.718 176.300 0.188 0.000 1.145 344 D CA 1.233 55.323 54.000 0.149 0.000 0.866 344 D CB 0.564 41.450 40.800 0.142 0.000 1.151 344 D HN 0.610 nan 8.370 nan 0.000 0.500 345 A N 3.922 126.817 122.820 0.126 0.000 2.015 345 A HA -0.191 4.129 4.320 0.001 0.000 0.219 345 A C 1.838 179.485 177.584 0.105 0.000 1.163 345 A CA 1.491 53.589 52.037 0.101 0.000 0.646 345 A CB -0.428 18.612 19.000 0.067 0.000 0.806 345 A HN 0.815 nan 8.150 nan 0.000 0.448 346 E N -1.504 118.774 120.200 0.131 0.000 2.285 346 E HA -0.157 4.194 4.350 0.001 0.000 0.194 346 E C 1.874 178.599 176.600 0.208 0.000 0.997 346 E CA 0.532 57.011 56.400 0.132 0.000 0.845 346 E CB -0.409 29.363 29.700 0.120 0.000 0.782 346 E HN 0.846 nan 8.360 nan 0.000 0.491 347 W N 2.877 124.207 121.300 0.050 0.000 2.444 347 W HA -0.152 4.509 4.660 0.001 0.000 0.308 347 W C 1.922 178.483 176.519 0.069 0.000 1.183 347 W CA 2.131 59.516 57.345 0.067 0.000 1.340 347 W CB -0.224 29.269 29.460 0.054 0.000 1.138 347 W HN 0.220 nan 8.180 nan 0.000 0.510 348 T N -1.432 113.114 114.554 -0.014 0.000 2.788 348 T HA -0.082 4.269 4.350 0.001 0.000 0.268 348 T C 1.990 176.606 174.700 -0.140 0.000 1.044 348 T CA 1.608 63.621 62.100 -0.145 0.000 1.139 348 T CB -1.227 67.650 68.868 0.015 0.000 0.867 348 T HN 0.158 nan 8.240 nan 0.000 0.454 349 G N 1.340 110.103 108.800 -0.061 0.000 2.402 349 G HA2 0.089 4.050 3.960 0.001 0.000 0.216 349 G HA3 0.089 4.050 3.960 0.001 0.000 0.216 349 G C 1.937 176.776 174.900 -0.102 0.000 1.162 349 G CA 0.779 45.843 45.100 -0.060 0.000 0.777 349 G HN 0.723 nan 8.290 nan 0.000 0.539 350 A N 0.629 123.388 122.820 -0.103 0.000 1.908 350 A HA 0.049 4.370 4.320 0.001 0.000 0.218 350 A C 2.429 179.862 177.584 -0.252 0.000 1.181 350 A CA 1.340 53.297 52.037 -0.133 0.000 0.627 350 A CB -0.407 18.587 19.000 -0.010 0.000 0.818 350 A HN 0.356 nan 8.150 nan 0.000 0.445 351 L N -1.271 119.741 121.223 -0.350 0.000 2.109 351 L HA -0.134 4.207 4.340 0.001 0.000 0.207 351 L C 2.589 179.313 176.870 -0.244 0.000 1.086 351 L CA 1.679 56.305 54.840 -0.357 0.000 0.760 351 L CB -0.408 41.344 42.059 -0.513 0.000 0.910 351 L HN 0.338 nan 8.230 nan 0.000 0.437 352 K N 0.869 121.150 120.400 -0.198 0.000 2.097 352 K HA -0.094 4.227 4.320 0.001 0.000 0.205 352 K C 2.036 178.559 176.600 -0.128 0.000 1.050 352 K CA 1.479 57.683 56.287 -0.139 0.000 0.938 352 K CB -0.276 32.164 32.500 -0.100 0.000 0.718 352 K HN 0.198 nan 8.250 nan 0.000 0.442 353 A N 0.530 123.268 122.820 -0.136 0.000 1.902 353 A HA -0.166 4.155 4.320 0.001 0.000 0.217 353 A C 2.010 179.504 177.584 -0.150 0.000 1.181 353 A CA 1.932 53.893 52.037 -0.128 0.000 0.623 353 A CB -0.462 18.463 19.000 -0.125 0.000 0.818 353 A HN 0.296 nan 8.150 nan 0.000 0.443 354 K N -0.571 119.708 120.400 -0.201 0.000 2.057 354 K HA -0.034 4.286 4.320 0.001 0.000 0.207 354 K C 1.825 178.333 176.600 -0.153 0.000 1.049 354 K CA 1.304 57.464 56.287 -0.212 0.000 0.931 354 K CB -0.456 31.866 32.500 -0.297 0.000 0.714 354 K HN 0.237 nan 8.250 nan 0.000 0.440 355 V N 1.863 121.690 119.914 -0.144 0.000 2.287 355 V HA -0.312 3.809 4.120 0.001 0.000 0.248 355 V C 1.503 177.542 176.094 -0.092 0.000 1.053 355 V CA 2.124 64.355 62.300 -0.116 0.000 1.027 355 V CB -0.455 31.296 31.823 -0.120 0.000 0.646 355 V HN 0.359 nan 8.190 nan 0.000 0.447 356 D N 0.466 120.812 120.400 -0.089 0.000 2.097 356 D HA -0.109 4.532 4.640 0.001 0.000 0.195 356 D C 2.209 178.469 176.300 -0.067 0.000 0.989 356 D CA 1.672 55.630 54.000 -0.071 0.000 0.827 356 D CB -0.789 39.971 40.800 -0.067 0.000 0.966 356 D HN 0.463 nan 8.370 nan 0.000 0.456 357 G N 0.782 109.535 108.800 -0.079 0.000 2.440 357 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 357 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 357 G C 1.637 176.498 174.900 -0.065 0.000 1.154 357 G CA 0.663 45.719 45.100 -0.073 0.000 0.767 357 G HN 0.169 nan 8.290 nan 0.000 0.552 358 N N 0.474 119.131 118.700 -0.073 0.000 2.216 358 N HA 0.002 4.743 4.740 0.001 0.000 0.183 358 N C 2.109 177.590 175.510 -0.048 0.000 1.017 358 N CA 0.764 53.778 53.050 -0.061 0.000 0.861 358 N CB -0.209 38.236 38.487 -0.069 0.000 0.986 358 N HN 0.338 nan 8.380 nan 0.000 0.428 359 K N 0.646 121.017 120.400 -0.049 0.000 2.097 359 K HA 0.093 4.414 4.320 0.001 0.000 0.205 359 K C 1.970 178.552 176.600 -0.030 0.000 1.050 359 K CA 0.969 57.233 56.287 -0.038 0.000 0.938 359 K CB -0.067 32.409 32.500 -0.040 0.000 0.718 359 K HN 0.102 nan 8.250 nan 0.000 0.442 360 A N 1.616 124.416 122.820 -0.034 0.000 1.933 360 A HA -0.218 4.103 4.320 0.001 0.000 0.218 360 A C 2.002 179.572 177.584 -0.023 0.000 1.175 360 A CA 1.659 53.680 52.037 -0.028 0.000 0.628 360 A CB -0.286 18.695 19.000 -0.032 0.000 0.814 360 A HN 0.166 nan 8.150 nan 0.000 0.444 361 K N -1.154 119.230 120.400 -0.027 0.000 2.155 361 K HA 0.003 4.324 4.320 0.001 0.000 0.203 361 K C 1.738 178.329 176.600 -0.015 0.000 1.052 361 K CA 0.907 57.181 56.287 -0.022 0.000 0.948 361 K CB -0.165 32.319 32.500 -0.027 0.000 0.728 361 K HN 0.357 nan 8.250 nan 0.000 0.448 362 L N 0.215 121.428 121.223 -0.016 0.000 2.179 362 L HA 0.080 4.421 4.340 0.001 0.000 0.208 362 L C 1.953 178.821 176.870 -0.003 0.000 1.096 362 L CA 1.514 56.349 54.840 -0.008 0.000 0.779 362 L CB -0.448 41.606 42.059 -0.010 0.000 0.922 362 L HN 0.137 nan 8.230 nan 0.000 0.443 363 A N -0.566 122.250 122.820 -0.007 0.000 1.933 363 A HA -0.062 4.259 4.320 0.001 0.000 0.218 363 A C 2.294 179.877 177.584 -0.002 0.000 1.175 363 A CA 1.417 53.452 52.037 -0.004 0.000 0.628 363 A CB -1.434 17.562 19.000 -0.008 0.000 0.814 363 A HN 0.487 nan 8.150 nan 0.000 0.444 364 G N -0.632 108.166 108.800 -0.005 0.000 2.443 364 G HA2 -0.163 3.797 3.960 0.001 0.000 0.219 364 G HA3 -0.163 3.797 3.960 0.001 0.000 0.219 364 G C 1.656 176.557 174.900 0.001 0.000 1.131 364 G CA 0.988 46.086 45.100 -0.004 0.000 0.775 364 G HN 0.570 nan 8.290 nan 0.000 0.547 365 K N -0.420 119.982 120.400 0.003 0.000 2.076 365 K HA 0.187 4.507 4.320 0.001 0.000 0.204 365 K C 2.520 179.127 176.600 0.013 0.000 1.051 365 K CA 0.622 56.915 56.287 0.010 0.000 0.949 365 K CB -0.143 32.366 32.500 0.014 0.000 0.726 365 K HN 0.257 nan 8.250 nan 0.000 0.443 366 M N 0.206 119.814 119.600 0.013 0.000 2.460 366 M HA -0.099 4.382 4.480 0.001 0.000 0.263 366 M C 1.776 178.081 176.300 0.009 0.000 1.071 366 M CA 1.141 56.449 55.300 0.014 0.000 1.096 366 M CB -0.112 32.497 32.600 0.015 0.000 1.408 366 M HN 0.043 nan 8.290 nan 0.000 0.463 367 T N 0.587 115.145 114.554 0.006 0.000 3.014 367 T HA 0.215 4.565 4.350 0.001 0.000 0.263 367 T C 0.826 175.527 174.700 0.002 0.000 1.078 367 T CA 0.326 62.428 62.100 0.003 0.000 1.135 367 T CB -0.024 68.845 68.868 0.001 0.000 0.895 367 T HN 0.411 nan 8.240 nan 0.000 0.480 368 A N 1.318 124.140 122.820 0.003 0.000 2.448 368 A HA 0.318 4.639 4.320 0.001 0.000 0.239 368 A C 0.158 177.743 177.584 0.000 0.000 1.080 368 A CA -0.056 51.982 52.037 0.002 0.000 0.779 368 A CB 0.183 19.186 19.000 0.005 0.000 1.026 368 A HN 0.467 nan 8.150 nan 0.000 0.499 369 E N -0.645 119.555 120.200 -0.001 0.000 2.195 369 E HA 0.558 4.909 4.350 0.001 0.000 0.271 369 E C -0.482 176.116 176.600 -0.004 0.000 0.923 369 E CA -0.373 56.026 56.400 -0.003 0.000 0.790 369 E CB 1.425 31.123 29.700 -0.002 0.000 1.155 369 E HN 0.813 nan 8.360 nan 0.000 0.402 370 T N 0.667 115.217 114.554 -0.008 0.000 2.906 370 T HA 0.570 4.920 4.350 0.001 0.000 0.295 370 T C -2.581 172.112 174.700 -0.011 0.000 1.075 370 T CA -1.957 60.137 62.100 -0.010 0.000 1.005 370 T CB 1.269 70.128 68.868 -0.016 0.000 1.136 370 T HN 0.165 nan 8.240 nan 0.000 0.498 371 P HA 0.252 nan 4.420 nan 0.000 0.268 371 P C -0.086 177.206 177.300 -0.013 0.000 1.208 371 P CA -0.328 62.766 63.100 -0.009 0.000 0.777 371 P CB 0.287 31.982 31.700 -0.007 0.000 0.875 372 S N 1.162 116.856 115.700 -0.010 0.000 2.546 372 S HA 0.324 4.794 4.470 0.001 0.000 0.290 372 S C 1.428 176.020 174.600 -0.013 0.000 1.290 372 S CA 0.794 58.988 58.200 -0.011 0.000 1.069 372 S CB -1.209 61.986 63.200 -0.007 0.000 0.846 372 S HN 0.906 nan 8.310 nan 0.000 0.495 373 G N 4.250 113.039 108.800 -0.018 0.000 2.179 373 G HA2 -0.174 3.787 3.960 0.001 0.000 0.260 373 G HA3 -0.174 3.787 3.960 0.001 0.000 0.260 373 G C 0.236 175.120 174.900 -0.027 0.000 0.977 373 G CA 0.507 45.595 45.100 -0.019 0.000 0.641 373 G HN 0.674 nan 8.290 nan 0.000 0.533 374 M N 0.425 120.007 119.600 -0.030 0.000 3.200 374 M HA 0.450 4.931 4.480 0.001 0.000 0.335 374 M C 0.686 176.957 176.300 -0.049 0.000 1.446 374 M CA -0.341 54.937 55.300 -0.036 0.000 0.691 374 M CB 0.006 32.593 32.600 -0.021 0.000 1.409 374 M HN 0.235 nan 8.290 nan 0.000 0.488 375 M N 1.914 121.473 119.600 -0.069 0.000 2.232 375 M HA 0.058 4.539 4.480 0.001 0.000 0.321 375 M C 0.790 177.016 176.300 -0.123 0.000 1.101 375 M CA 0.444 55.694 55.300 -0.083 0.000 1.181 375 M CB 0.452 32.995 32.600 -0.095 0.000 1.432 375 M HN 0.421 nan 8.290 nan 0.000 0.457 376 N N 0.039 118.680 118.700 -0.098 0.000 2.604 376 N HA 0.179 4.920 4.740 0.001 0.000 0.297 376 N C -0.205 175.220 175.510 -0.141 0.000 1.266 376 N CA -0.366 52.620 53.050 -0.106 0.000 0.961 376 N CB 0.218 38.709 38.487 0.006 0.000 1.166 376 N HN 0.492 nan 8.380 nan 0.000 0.601 377 Y N -1.194 119.110 120.300 0.007 0.000 2.457 377 Y HA 0.073 4.623 4.550 0.001 0.000 0.292 377 Y C 2.165 178.067 175.900 0.003 0.000 1.125 377 Y CA 0.801 58.905 58.100 0.006 0.000 1.254 377 Y CB 0.067 38.533 38.460 0.011 0.000 1.012 377 Y HN 0.475 nan 8.280 nan 0.000 0.555 378 S N 0.251 116.028 115.700 0.128 0.000 2.356 378 S HA -0.137 4.334 4.470 0.001 0.000 0.219 378 S C 1.873 176.498 174.600 0.042 0.000 1.036 378 S CA 1.241 59.486 58.200 0.076 0.000 0.965 378 S CB -0.357 62.877 63.200 0.057 0.000 0.864 378 S HN 0.660 nan 8.310 nan 0.000 0.471 379 N N 2.317 121.030 118.700 0.021 0.000 2.216 379 N HA -0.073 4.668 4.740 0.001 0.000 0.183 379 N C 1.632 177.140 175.510 -0.004 0.000 1.017 379 N CA 1.681 54.734 53.050 0.006 0.000 0.861 379 N CB -0.983 37.502 38.487 -0.003 0.000 0.986 379 N HN 0.445 nan 8.380 nan 0.000 0.428 380 S N 1.275 116.964 115.700 -0.018 0.000 2.338 380 S HA -0.030 4.441 4.470 0.001 0.000 0.218 380 S C 2.043 176.639 174.600 -0.006 0.000 1.032 380 S CA 0.832 59.013 58.200 -0.032 0.000 0.999 380 S CB -1.020 62.134 63.200 -0.076 0.000 0.905 380 S HN 0.284 nan 8.310 nan 0.000 0.439 381 L N 1.670 122.908 121.223 0.025 0.000 2.291 381 L HA 0.140 4.481 4.340 0.001 0.000 0.214 381 L C 2.880 179.773 176.870 0.039 0.000 1.120 381 L CA 0.696 55.562 54.840 0.043 0.000 0.799 381 L CB -0.964 41.143 42.059 0.080 0.000 0.925 381 L HN 0.554 nan 8.230 nan 0.000 0.446 382 G N -0.262 108.558 108.800 0.034 0.000 2.462 382 G HA2 -0.180 3.780 3.960 0.001 0.000 0.220 382 G HA3 -0.180 3.780 3.960 0.001 0.000 0.220 382 G C 1.546 176.467 174.900 0.035 0.000 1.121 382 G CA 0.858 45.977 45.100 0.032 0.000 0.758 382 G HN 0.215 nan 8.290 nan 0.000 0.559 383 V N 0.513 120.443 119.914 0.026 0.000 2.323 383 V HA -0.148 3.973 4.120 0.001 0.000 0.244 383 V C 2.995 179.126 176.094 0.062 0.000 1.041 383 V CA 1.416 63.735 62.300 0.031 0.000 1.025 383 V CB -0.317 31.505 31.823 -0.002 0.000 0.656 383 V HN 0.257 nan 8.190 nan 0.000 0.451 384 V N 0.501 120.440 119.914 0.042 0.000 2.343 384 V HA -0.286 3.834 4.120 0.001 0.000 0.247 384 V C 2.549 178.716 176.094 0.122 0.000 1.051 384 V CA 2.408 64.751 62.300 0.071 0.000 1.036 384 V CB -0.920 30.923 31.823 0.034 0.000 0.654 384 V HN 0.554 nan 8.190 nan 0.000 0.451 385 R N 0.540 121.090 120.500 0.083 0.000 2.097 385 R HA -0.233 4.107 4.340 0.001 0.000 0.236 385 R C 2.085 178.433 176.300 0.080 0.000 1.135 385 R CA 2.479 58.623 56.100 0.073 0.000 0.934 385 R CB -0.608 29.721 30.300 0.049 0.000 0.846 385 R HN 0.478 nan 8.270 nan 0.000 0.431 386 D N -0.182 120.265 120.400 0.079 0.000 2.133 386 D HA -0.208 4.433 4.640 0.001 0.000 0.195 386 D C 1.673 178.024 176.300 0.085 0.000 0.997 386 D CA 1.317 55.357 54.000 0.067 0.000 0.840 386 D CB -0.381 40.457 40.800 0.062 0.000 0.947 386 D HN 0.268 nan 8.370 nan 0.000 0.452 387 F N 0.804 120.751 119.950 -0.004 0.000 2.146 387 F HA -0.151 4.377 4.527 0.001 0.000 0.298 387 F C 2.244 178.045 175.800 0.001 0.000 1.096 387 F CA 1.048 59.045 58.000 -0.005 0.000 1.275 387 F CB -0.001 38.992 39.000 -0.013 0.000 1.008 387 F HN -0.184 nan 8.300 nan 0.000 0.480 388 M N -0.200 119.495 119.600 0.158 0.000 2.394 388 M HA -0.090 4.391 4.480 0.001 0.000 0.264 388 M C 2.171 178.461 176.300 -0.017 0.000 1.073 388 M CA 1.146 56.490 55.300 0.073 0.000 1.111 388 M CB -1.129 31.545 32.600 0.123 0.000 1.401 388 M HN 0.269 nan 8.290 nan 0.000 0.448 389 L N -0.557 120.655 121.223 -0.019 0.000 2.109 389 L HA -0.111 4.229 4.340 0.001 0.000 0.207 389 L C 2.598 179.420 176.870 -0.079 0.000 1.086 389 L CA 1.019 55.840 54.840 -0.031 0.000 0.760 389 L CB -0.699 41.352 42.059 -0.013 0.000 0.910 389 L HN 0.238 nan 8.230 nan 0.000 0.437 390 A N -0.199 122.535 122.820 -0.145 0.000 1.935 390 A HA -0.030 4.291 4.320 0.001 0.000 0.214 390 A C 0.577 178.006 177.584 -0.258 0.000 1.178 390 A CA 0.823 52.744 52.037 -0.194 0.000 0.640 390 A CB -0.249 18.616 19.000 -0.226 0.000 0.825 390 A HN 0.446 nan 8.150 nan 0.000 0.447 391 N N -0.101 118.375 118.700 -0.373 0.000 2.904 391 N HA 0.277 5.017 4.740 0.001 0.000 0.257 391 N C -2.432 172.992 175.510 -0.143 0.000 1.363 391 N CA -1.293 51.568 53.050 -0.314 0.000 0.856 391 N CB 1.449 39.604 38.487 -0.554 0.000 1.166 391 N HN 0.191 nan 8.380 nan 0.000 0.499 392 P HA -0.034 nan 4.420 nan 0.000 0.227 392 P C -0.008 177.294 177.300 0.003 0.000 1.161 392 P CA 0.802 63.890 63.100 -0.020 0.000 0.788 392 P CB 0.444 32.135 31.700 -0.015 0.000 0.822 393 D N 0.423 120.820 120.400 -0.004 0.000 3.032 393 D HA 0.236 4.876 4.640 0.001 0.000 0.241 393 D C -0.173 176.144 176.300 0.029 0.000 1.196 393 D CA 0.012 54.018 54.000 0.010 0.000 0.927 393 D CB -1.111 39.690 40.800 0.002 0.000 1.129 393 D HN 0.163 nan 8.370 nan 0.000 0.458 394 I N -0.106 120.492 120.570 0.047 0.000 2.686 394 I HA 0.182 4.352 4.170 0.001 0.000 0.295 394 I C 0.047 176.207 176.117 0.072 0.000 1.114 394 I CA -0.860 60.483 61.300 0.073 0.000 1.038 394 I CB 2.249 40.321 38.000 0.121 0.000 1.238 394 I HN -0.242 nan 8.210 nan 0.000 0.420 395 S N 5.581 121.322 115.700 0.068 0.000 2.545 395 S HA 0.384 4.854 4.470 0.001 0.000 0.275 395 S C -0.478 174.169 174.600 0.078 0.000 1.299 395 S CA -0.395 57.845 58.200 0.066 0.000 1.048 395 S CB 0.901 64.133 63.200 0.053 0.000 0.938 395 S HN 0.318 nan 8.310 nan 0.000 0.496 396 L N 5.476 126.748 121.223 0.081 0.000 2.324 396 L HA 0.469 4.810 4.340 0.001 0.000 0.274 396 L C -0.835 176.089 176.870 0.091 0.000 1.012 396 L CA -0.413 54.477 54.840 0.083 0.000 0.859 396 L CB 0.820 42.928 42.059 0.082 0.000 1.224 396 L HN 0.394 nan 8.230 nan 0.000 0.429 397 V N 5.722 125.694 119.914 0.096 0.000 2.649 397 V HA 0.421 4.542 4.120 0.001 0.000 0.292 397 V C 0.274 176.417 176.094 0.082 0.000 1.055 397 V CA -0.477 61.896 62.300 0.121 0.000 1.023 397 V CB 1.638 33.543 31.823 0.137 0.000 0.992 397 V HN 0.836 nan 8.190 nan 0.000 0.480 398 N N 2.804 121.548 118.700 0.072 0.000 2.452 398 N HA 0.475 5.215 4.740 0.001 0.000 0.277 398 N C -1.643 173.874 175.510 0.011 0.000 1.078 398 N CA -0.481 52.595 53.050 0.043 0.000 0.947 398 N CB 2.291 40.809 38.487 0.052 0.000 1.655 398 N HN 0.965 nan 8.380 nan 0.000 0.490 399 E N 1.947 122.148 120.200 0.001 0.000 2.396 399 E HA 0.668 5.018 4.350 0.001 0.000 0.280 399 E C -0.585 176.018 176.600 0.006 0.000 1.065 399 E CA -0.983 55.403 56.400 -0.023 0.000 0.831 399 E CB 1.886 31.529 29.700 -0.096 0.000 1.272 399 E HN 0.735 nan 8.360 nan 0.000 0.443 400 G N -0.323 108.479 108.800 0.005 0.000 2.325 400 G HA2 0.387 4.348 3.960 0.001 0.000 0.285 400 G HA3 0.387 4.348 3.960 0.001 0.000 0.285 400 G C -0.182 174.751 174.900 0.055 0.000 1.303 400 G CA 0.025 45.149 45.100 0.040 0.000 0.970 400 G HN 0.928 nan 8.290 nan 0.000 0.490 401 A N -0.685 122.192 122.820 0.095 0.000 2.179 401 A HA 0.396 4.717 4.320 0.001 0.000 0.224 401 A C 1.878 179.457 177.584 -0.008 0.000 1.759 401 A CA 1.332 53.437 52.037 0.113 0.000 0.688 401 A CB -0.490 18.708 19.000 0.329 0.000 1.342 401 A HN 0.637 nan 8.150 nan 0.000 0.543 402 N N 0.721 119.372 118.700 -0.081 0.000 2.244 402 N HA -0.094 4.647 4.740 0.001 0.000 0.183 402 N C 1.793 177.064 175.510 -0.398 0.000 1.016 402 N CA 1.211 54.025 53.050 -0.393 0.000 0.866 402 N CB -0.214 37.804 38.487 -0.781 0.000 0.980 402 N HN 0.480 nan 8.380 nan 0.000 0.430 403 A N 1.061 123.819 122.820 -0.102 0.000 2.067 403 A HA -0.061 4.259 4.320 0.001 0.000 0.219 403 A C 2.173 179.775 177.584 0.030 0.000 1.158 403 A CA 0.750 52.831 52.037 0.073 0.000 0.661 403 A CB -0.268 18.821 19.000 0.148 0.000 0.801 403 A HN 0.213 nan 8.150 nan 0.000 0.452 404 L N -0.715 120.508 121.223 0.001 0.000 2.130 404 L HA 0.057 4.397 4.340 0.001 0.000 0.200 404 L C 1.621 178.486 176.870 -0.008 0.000 1.075 404 L CA 1.986 56.832 54.840 0.010 0.000 0.768 404 L CB -0.374 41.697 42.059 0.020 0.000 0.933 404 L HN 0.208 nan 8.230 nan 0.000 0.451 405 D N -0.011 120.368 120.400 -0.036 0.000 2.117 405 D HA -0.172 4.469 4.640 0.001 0.000 0.197 405 D C 1.845 178.116 176.300 -0.049 0.000 0.987 405 D CA 1.279 55.252 54.000 -0.045 0.000 0.829 405 D CB -0.302 40.459 40.800 -0.066 0.000 0.961 405 D HN 0.412 nan 8.370 nan 0.000 0.460 406 N N -0.064 118.590 118.700 -0.076 0.000 2.270 406 N HA -0.061 4.679 4.740 0.001 0.000 0.181 406 N C 1.691 177.210 175.510 0.015 0.000 1.016 406 N CA 0.901 53.928 53.050 -0.038 0.000 0.870 406 N CB -0.132 38.322 38.487 -0.055 0.000 0.979 406 N HN 0.168 nan 8.380 nan 0.000 0.431 407 T N 1.065 115.635 114.554 0.026 0.000 2.812 407 T HA -0.072 4.278 4.350 0.001 0.000 0.264 407 T C 1.959 176.678 174.700 0.031 0.000 1.042 407 T CA 0.670 62.795 62.100 0.041 0.000 1.140 407 T CB 0.091 68.989 68.868 0.050 0.000 0.870 407 T HN 0.263 nan 8.240 nan 0.000 0.445 408 R N 0.568 121.079 120.500 0.019 0.000 2.091 408 R HA -0.014 4.327 4.340 0.001 0.000 0.238 408 R C 2.488 178.794 176.300 0.009 0.000 1.136 408 R CA 1.389 57.499 56.100 0.016 0.000 0.959 408 R CB -0.301 30.002 30.300 0.005 0.000 0.856 408 R HN 0.380 nan 8.270 nan 0.000 0.437 409 M N -0.058 119.542 119.600 0.000 0.000 2.099 409 M HA -0.110 4.371 4.480 0.001 0.000 0.262 409 M C 1.783 178.086 176.300 0.004 0.000 1.067 409 M CA 1.705 57.001 55.300 -0.006 0.000 1.124 409 M CB 0.097 32.688 32.600 -0.014 0.000 1.353 409 M HN 0.202 nan 8.290 nan 0.000 0.410 410 I N -0.616 119.964 120.570 0.016 0.000 2.429 410 I HA -0.037 4.134 4.170 0.001 0.000 0.247 410 I C 0.414 176.549 176.117 0.031 0.000 1.099 410 I CA 0.012 61.326 61.300 0.024 0.000 1.422 410 I CB 0.261 38.283 38.000 0.036 0.000 1.112 410 I HN -0.086 nan 8.210 nan 0.000 0.430 411 V N 3.173 123.110 119.914 0.039 0.000 2.370 411 V HA 0.052 4.173 4.120 0.001 0.000 0.257 411 V C -0.637 175.485 176.094 0.046 0.000 1.064 411 V CA -0.136 62.193 62.300 0.048 0.000 0.975 411 V CB -0.086 31.771 31.823 0.057 0.000 1.067 411 V HN 0.141 nan 8.190 nan 0.000 0.485 412 D N 5.551 125.977 120.400 0.044 0.000 2.348 412 D HA 0.311 4.951 4.640 0.001 0.000 0.253 412 D C 0.054 176.386 176.300 0.052 0.000 1.161 412 D CA -0.043 53.983 54.000 0.044 0.000 0.876 412 D CB 1.037 41.859 40.800 0.036 0.000 1.160 412 D HN 0.239 nan 8.370 nan 0.000 0.459 413 M N 3.089 122.724 119.600 0.060 0.000 2.129 413 M HA 0.209 4.690 4.480 0.001 0.000 0.348 413 M C 0.888 177.226 176.300 0.064 0.000 1.116 413 M CA -0.302 55.035 55.300 0.062 0.000 1.022 413 M CB 1.327 33.969 32.600 0.070 0.000 1.599 413 M HN 0.311 nan 8.290 nan 0.000 0.449 414 L N 1.021 122.274 121.223 0.051 0.000 2.477 414 L HA 0.165 4.505 4.340 0.001 0.000 0.220 414 L C 0.633 177.529 176.870 0.044 0.000 1.106 414 L CA 0.635 55.505 54.840 0.049 0.000 0.851 414 L CB 0.063 42.141 42.059 0.030 0.000 0.994 414 L HN 0.637 nan 8.230 nan 0.000 0.462 415 K N 0.205 120.629 120.400 0.039 0.000 2.385 415 K HA 0.432 4.752 4.320 0.001 0.000 0.248 415 K C -2.575 174.044 176.600 0.033 0.000 0.955 415 K CA -1.852 54.452 56.287 0.028 0.000 0.816 415 K CB 2.535 35.046 32.500 0.018 0.000 1.250 415 K HN -0.298 nan 8.250 nan 0.000 0.434 416 P HA 0.218 nan 4.420 nan 0.000 0.281 416 P C -1.080 176.225 177.300 0.009 0.000 1.249 416 P CA -0.231 62.879 63.100 0.017 0.000 0.810 416 P CB 0.838 32.530 31.700 -0.013 0.000 1.008 417 R N -0.051 120.473 120.500 0.039 0.000 3.641 417 R HA -0.152 4.189 4.340 0.001 0.000 0.286 417 R C 0.859 177.203 176.300 0.073 0.000 1.153 417 R CA 0.592 56.719 56.100 0.046 0.000 0.775 417 R CB -1.247 28.959 30.300 -0.156 0.000 1.215 417 R HN 0.503 nan 8.270 nan 0.000 0.474 418 K N 0.301 120.753 120.400 0.085 0.000 2.306 418 K HA 0.077 4.398 4.320 0.001 0.000 0.200 418 K C 0.928 177.582 176.600 0.090 0.000 1.083 418 K CA 0.210 56.540 56.287 0.072 0.000 0.959 418 K CB 0.161 32.696 32.500 0.059 0.000 0.994 418 K HN 0.211 nan 8.250 nan 0.000 0.492 419 R N 1.878 122.439 120.500 0.102 0.000 2.316 419 R HA 0.202 4.542 4.340 0.001 0.000 0.314 419 R C -0.820 175.541 176.300 0.101 0.000 1.069 419 R CA 0.072 56.230 56.100 0.098 0.000 0.959 419 R CB 0.069 30.422 30.300 0.088 0.000 0.987 419 R HN -0.027 nan 8.270 nan 0.000 0.446 420 L N 5.714 127.001 121.223 0.106 0.000 2.427 420 L HA 0.364 4.704 4.340 0.001 0.000 0.264 420 L C -0.871 176.141 176.870 0.237 0.000 0.989 420 L CA -0.891 54.024 54.840 0.125 0.000 0.865 420 L CB 1.356 43.471 42.059 0.092 0.000 1.209 420 L HN 0.784 nan 8.230 nan 0.000 0.430 421 D N -0.063 120.456 120.400 0.199 0.000 2.712 421 D HA 0.304 4.945 4.640 0.001 0.000 0.252 421 D C 0.746 177.117 176.300 0.118 0.000 1.123 421 D CA -0.662 53.416 54.000 0.131 0.000 1.109 421 D CB 0.795 41.641 40.800 0.077 0.000 1.313 421 D HN 0.061 nan 8.370 nan 0.000 0.629 422 S N -1.246 114.480 115.700 0.044 0.000 2.442 422 S HA 0.289 4.760 4.470 0.001 0.000 0.236 422 S C 1.273 175.953 174.600 0.133 0.000 1.007 422 S CA 0.865 59.074 58.200 0.015 0.000 0.965 422 S CB -1.058 62.144 63.200 0.004 0.000 0.773 422 S HN 0.965 nan 8.310 nan 0.000 0.504 423 G N 0.795 109.680 108.800 0.141 0.000 2.598 423 G HA2 -0.307 3.654 3.960 0.001 0.000 0.244 423 G HA3 -0.307 3.654 3.960 0.001 0.000 0.244 423 G C 0.658 175.648 174.900 0.151 0.000 1.302 423 G CA 0.111 45.280 45.100 0.116 0.000 0.903 423 G HN 0.207 nan 8.290 nan 0.000 0.575 424 T N -0.279 114.302 114.554 0.046 0.000 2.759 424 T HA -0.106 4.244 4.350 0.001 0.000 0.269 424 T C 1.638 176.610 174.700 0.454 0.000 1.042 424 T CA 2.426 64.620 62.100 0.157 0.000 1.140 424 T CB -0.150 68.653 68.868 -0.109 0.000 0.864 424 T HN 0.428 nan 8.240 nan 0.000 0.455 425 W N 0.927 122.316 121.300 0.148 0.000 3.290 425 W HA 0.453 5.114 4.660 0.001 0.000 0.287 425 W C 1.531 178.062 176.519 0.020 0.000 1.288 425 W CA -0.436 56.944 57.345 0.059 0.000 1.725 425 W CB -0.951 28.529 29.460 0.033 0.000 1.103 425 W HN 0.396 nan 8.180 nan 0.000 0.670 426 G N 1.633 110.623 108.800 0.318 0.000 2.338 426 G HA2 -0.259 3.702 3.960 0.001 0.000 0.296 426 G HA3 -0.259 3.702 3.960 0.001 0.000 0.296 426 G C -0.088 174.825 174.900 0.022 0.000 1.040 426 G CA 0.099 45.301 45.100 0.170 0.000 1.004 426 G HN -0.020 nan 8.290 nan 0.000 0.509 427 V N 2.381 122.303 119.914 0.012 0.000 2.479 427 V HA 0.256 4.377 4.120 0.001 0.000 0.281 427 V C 1.035 176.928 176.094 -0.336 0.000 1.031 427 V CA -0.163 62.038 62.300 -0.166 0.000 1.038 427 V CB 1.061 32.755 31.823 -0.214 0.000 0.981 427 V HN 0.445 nan 8.190 nan 0.000 0.478 428 M N 4.543 123.850 119.600 -0.488 0.000 2.146 428 M HA 0.429 4.909 4.480 0.001 0.000 0.352 428 M C 1.085 176.955 176.300 -0.717 0.000 1.343 428 M CA 0.344 55.227 55.300 -0.694 0.000 1.115 428 M CB -0.049 31.828 32.600 -1.206 0.000 1.657 428 M HN 0.947 nan 8.290 nan 0.000 0.471 429 G N 3.124 111.666 108.800 -0.431 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 0.371 175.046 174.900 -0.374 0.000 0.995 429 G CA 0.116 45.099 45.100 -0.194 0.000 0.754 429 G HN 0.654 nan 8.290 nan 0.000 0.505 430 I N 0.951 121.045 120.570 -0.794 0.000 3.251 430 I HA 0.443 4.614 4.170 0.001 0.000 0.277 430 I C 2.264 177.961 176.117 -0.700 0.000 1.268 430 I CA 0.902 61.519 61.300 -1.139 0.000 1.449 430 I CB -1.001 35.925 38.000 -1.790 0.000 1.083 430 I HN 0.130 nan 8.210 nan 0.000 0.464 431 G N 1.937 110.518 108.800 -0.366 0.000 2.721 431 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 431 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 431 G C 1.440 176.334 174.900 -0.010 0.000 1.265 431 G CA 1.671 46.691 45.100 -0.133 0.000 0.796 431 G HN 0.329 nan 8.290 nan 0.000 0.620 432 M N 1.052 120.644 119.600 -0.012 0.000 2.254 432 M HA 0.083 4.564 4.480 0.001 0.000 0.265 432 M C 2.831 179.228 176.300 0.162 0.000 1.066 432 M CA 1.064 56.399 55.300 0.059 0.000 1.123 432 M CB -1.639 30.954 32.600 -0.012 0.000 1.388 432 M HN 0.313 nan 8.290 nan 0.000 0.425 433 G N -0.799 108.132 108.800 0.220 0.000 2.402 433 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 433 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 433 G C 1.347 176.418 174.900 0.285 0.000 1.162 433 G CA 0.425 45.722 45.100 0.329 0.000 0.777 433 G HN 0.273 nan 8.290 nan 0.000 0.539 434 Y N 0.708 121.027 120.300 0.031 0.000 2.181 434 Y HA -0.108 4.442 4.550 0.001 0.000 0.288 434 Y C 3.139 179.038 175.900 -0.003 0.000 1.146 434 Y CA -0.001 58.093 58.100 -0.009 0.000 1.164 434 Y CB -1.024 37.427 38.460 -0.015 0.000 0.982 434 Y HN 0.222 nan 8.280 nan 0.000 0.515 435 C N -1.204 118.208 119.300 0.187 0.000 2.436 435 C HA -0.145 4.316 4.460 0.001 0.000 0.277 435 C C 2.859 177.885 174.990 0.059 0.000 1.241 435 C CA 1.026 60.108 59.018 0.108 0.000 1.721 435 C CB -1.246 26.556 27.740 0.103 0.000 2.043 435 C HN 0.328 nan 8.230 nan 0.000 0.472 436 V N 1.471 121.422 119.914 0.061 0.000 2.287 436 V HA -0.233 3.887 4.120 0.001 0.000 0.248 436 V C 2.691 178.726 176.094 -0.098 0.000 1.053 436 V CA 2.371 64.651 62.300 -0.032 0.000 1.027 436 V CB -1.355 30.473 31.823 0.007 0.000 0.646 436 V HN 0.621 nan 8.190 nan 0.000 0.447 437 A N -0.094 122.678 122.820 -0.081 0.000 1.873 437 A HA -0.042 4.278 4.320 0.001 0.000 0.215 437 A C 2.446 180.004 177.584 -0.044 0.000 1.186 437 A CA 1.960 53.919 52.037 -0.131 0.000 0.616 437 A CB -0.871 17.926 19.000 -0.339 0.000 0.823 437 A HN 0.563 nan 8.150 nan 0.000 0.442 438 A N 0.051 122.847 122.820 -0.041 0.000 1.883 438 A HA 0.078 4.399 4.320 0.001 0.000 0.217 438 A C 2.532 180.121 177.584 0.009 0.000 1.186 438 A CA 2.429 54.457 52.037 -0.015 0.000 0.624 438 A CB -1.141 17.861 19.000 0.003 0.000 0.822 438 A HN 1.097 nan 8.150 nan 0.000 0.444 439 A N -0.216 122.610 122.820 0.009 0.000 1.883 439 A HA 0.116 4.437 4.320 0.001 0.000 0.217 439 A C 2.554 180.154 177.584 0.027 0.000 1.186 439 A CA 2.410 54.461 52.037 0.023 0.000 0.624 439 A CB -1.159 17.854 19.000 0.023 0.000 0.822 439 A HN 1.149 nan 8.150 nan 0.000 0.444 440 A N -0.262 122.550 122.820 -0.013 0.000 1.902 440 A HA -0.025 4.296 4.320 0.001 0.000 0.217 440 A C 2.320 179.964 177.584 0.100 0.000 1.181 440 A CA 2.478 54.540 52.037 0.043 0.000 0.623 440 A CB -1.151 17.799 19.000 -0.085 0.000 0.818 440 A HN 1.208 nan 8.150 nan 0.000 0.443 441 V N -2.410 117.553 119.914 0.083 0.000 2.878 441 V HA -0.051 4.070 4.120 0.001 0.000 0.250 441 V C 2.214 178.335 176.094 0.045 0.000 1.075 441 V CA 2.146 64.491 62.300 0.076 0.000 1.096 441 V CB -1.248 30.616 31.823 0.069 0.000 0.724 441 V HN 0.649 nan 8.190 nan 0.000 0.467 442 T N -2.774 111.801 114.554 0.035 0.000 3.031 442 T HA 0.305 4.655 4.350 0.001 0.000 0.254 442 T C 1.830 176.551 174.700 0.035 0.000 1.060 442 T CA 0.980 63.095 62.100 0.026 0.000 1.135 442 T CB -0.173 68.707 68.868 0.020 0.000 0.896 442 T HN 1.636 nan 8.240 nan 0.000 0.472 443 G N 1.556 110.385 108.800 0.048 0.000 2.198 443 G HA2 -0.239 3.722 3.960 0.001 0.000 0.260 443 G HA3 -0.239 3.722 3.960 0.001 0.000 0.260 443 G C -0.111 174.819 174.900 0.049 0.000 1.025 443 G CA 0.602 45.734 45.100 0.053 0.000 0.769 443 G HN 0.744 nan 8.290 nan 0.000 0.507 444 K N -0.631 119.798 120.400 0.048 0.000 2.466 444 K HA 0.559 4.879 4.320 0.001 0.000 0.260 444 K C -2.747 173.887 176.600 0.057 0.000 1.011 444 K CA -2.283 54.032 56.287 0.048 0.000 0.871 444 K CB 2.074 34.597 32.500 0.039 0.000 1.404 444 K HN -0.067 nan 8.250 nan 0.000 0.450 445 P HA 0.104 nan 4.420 nan 0.000 0.270 445 P C -1.167 176.178 177.300 0.074 0.000 1.223 445 P CA -0.438 62.707 63.100 0.076 0.000 0.785 445 P CB 0.541 32.300 31.700 0.098 0.000 0.923 446 V N 2.620 122.577 119.914 0.071 0.000 2.638 446 V HA 0.427 4.548 4.120 0.001 0.000 0.306 446 V C -0.004 176.125 176.094 0.058 0.000 1.052 446 V CA -0.463 61.877 62.300 0.067 0.000 0.885 446 V CB 1.785 33.646 31.823 0.063 0.000 0.999 446 V HN 0.364 nan 8.190 nan 0.000 0.424 447 I N 3.352 123.957 120.570 0.058 0.000 2.441 447 I HA 0.791 4.961 4.170 0.001 0.000 0.295 447 I C 0.190 176.329 176.117 0.036 0.000 0.994 447 I CA -0.628 60.688 61.300 0.026 0.000 1.144 447 I CB 1.999 40.009 38.000 0.017 0.000 1.314 447 I HN 0.710 nan 8.210 nan 0.000 0.445 448 A N 6.111 128.943 122.820 0.021 0.000 2.331 448 A HA 0.712 5.032 4.320 0.001 0.000 0.320 448 A C -0.752 176.833 177.584 0.003 0.000 1.138 448 A CA -0.488 51.568 52.037 0.030 0.000 0.790 448 A CB 1.328 20.357 19.000 0.048 0.000 1.206 448 A HN 0.444 nan 8.150 nan 0.000 0.470 449 V N 4.083 124.006 119.914 0.016 0.000 2.294 449 V HA 0.287 4.408 4.120 0.001 0.000 0.272 449 V C -0.403 175.702 176.094 0.018 0.000 1.027 449 V CA -0.370 61.935 62.300 0.008 0.000 0.823 449 V CB 0.711 32.550 31.823 0.028 0.000 1.030 449 V HN 0.850 nan 8.190 nan 0.000 0.457 450 E N 3.313 123.510 120.200 -0.005 0.000 2.151 450 E HA 0.433 4.783 4.350 0.001 0.000 0.275 450 E C 0.509 177.121 176.600 0.019 0.000 0.936 450 E CA -0.281 56.131 56.400 0.019 0.000 0.777 450 E CB 2.341 32.059 29.700 0.030 0.000 1.108 450 E HN 0.701 nan 8.360 nan 0.000 0.401 451 G N 2.194 111.032 108.800 0.062 0.000 2.554 451 G HA2 -0.048 3.913 3.960 0.001 0.000 0.238 451 G HA3 -0.048 3.913 3.960 0.001 0.000 0.238 451 G C 0.749 175.689 174.900 0.066 0.000 1.259 451 G CA -0.249 44.901 45.100 0.083 0.000 0.843 451 G HN 0.507 nan 8.290 nan 0.000 0.582 452 D N 0.270 120.696 120.400 0.043 0.000 2.162 452 D HA -0.152 4.488 4.640 0.001 0.000 0.203 452 D C 2.225 178.600 176.300 0.126 0.000 0.967 452 D CA 1.213 55.219 54.000 0.010 0.000 0.840 452 D CB -0.650 40.147 40.800 -0.004 0.000 0.972 452 D HN 0.365 nan 8.370 nan 0.000 0.482 453 S N 0.840 116.611 115.700 0.118 0.000 2.351 453 S HA -0.174 4.296 4.470 0.001 0.000 0.220 453 S C 2.255 177.018 174.600 0.272 0.000 1.035 453 S CA 2.197 60.480 58.200 0.138 0.000 1.031 453 S CB -0.723 62.537 63.200 0.101 0.000 0.928 453 S HN 0.412 nan 8.310 nan 0.000 0.433 454 A N 1.018 123.985 122.820 0.244 0.000 1.884 454 A HA -0.160 4.160 4.320 0.001 0.000 0.219 454 A C 2.078 179.823 177.584 0.269 0.000 1.197 454 A CA 2.176 54.351 52.037 0.230 0.000 0.637 454 A CB -1.464 17.585 19.000 0.081 0.000 0.827 454 A HN 0.756 nan 8.150 nan 0.000 0.450 455 F N 1.306 121.281 119.950 0.041 0.000 2.161 455 F HA -0.071 4.457 4.527 0.001 0.000 0.300 455 F C 2.214 178.022 175.800 0.013 0.000 1.089 455 F CA 1.512 59.495 58.000 -0.027 0.000 1.282 455 F CB -0.717 38.184 39.000 -0.165 0.000 1.010 455 F HN 0.182 nan 8.300 nan 0.000 0.485 456 G N -0.890 107.861 108.800 -0.082 0.000 2.498 456 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 456 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 456 G C 1.431 176.151 174.900 -0.299 0.000 1.119 456 G CA 0.682 45.642 45.100 -0.233 0.000 0.766 456 G HN 0.436 nan 8.290 nan 0.000 0.552 457 F N 1.167 120.994 119.950 -0.206 0.000 2.456 457 F HA 0.088 4.616 4.527 0.001 0.000 0.298 457 F C 2.432 178.130 175.800 -0.171 0.000 1.104 457 F CA 1.243 59.165 58.000 -0.129 0.000 1.435 457 F CB 0.449 39.401 39.000 -0.079 0.000 1.078 457 F HN 0.224 nan 8.300 nan 0.000 0.546 458 S N -1.722 113.822 115.700 -0.259 0.000 2.900 458 S HA 0.280 4.750 4.470 0.001 0.000 0.253 458 S C 1.768 175.991 174.600 -0.628 0.000 1.029 458 S CA 0.125 57.912 58.200 -0.689 0.000 1.096 458 S CB -0.235 62.539 63.200 -0.710 0.000 1.067 458 S HN 0.203 nan 8.310 nan 0.000 0.610 459 G N 2.394 110.735 108.800 -0.766 0.000 2.442 459 G HA2 -0.216 3.745 3.960 0.001 0.000 0.219 459 G HA3 -0.216 3.745 3.960 0.001 0.000 0.219 459 G C 1.207 175.918 174.900 -0.315 0.000 1.141 459 G CA 1.256 45.744 45.100 -1.019 0.000 0.763 459 G HN 0.497 nan 8.290 nan 0.000 0.554 460 M N 0.946 120.421 119.600 -0.208 0.000 2.435 460 M HA 0.014 4.495 4.480 0.001 0.000 0.262 460 M C 1.767 177.987 176.300 -0.133 0.000 1.065 460 M CA 0.846 56.083 55.300 -0.104 0.000 1.076 460 M CB -0.172 32.400 32.600 -0.047 0.000 1.403 460 M HN 0.107 nan 8.290 nan 0.000 0.454 461 E N -0.355 119.768 120.200 -0.128 0.000 2.511 461 E HA -0.024 4.326 4.350 0.001 0.000 0.196 461 E C 1.912 178.489 176.600 -0.039 0.000 1.066 461 E CA 0.303 56.664 56.400 -0.066 0.000 0.871 461 E CB -0.428 29.262 29.700 -0.017 0.000 0.863 461 E HN 0.547 nan 8.360 nan 0.000 0.520 462 L N 1.053 122.279 121.223 0.004 0.000 2.051 462 L HA -0.237 4.104 4.340 0.001 0.000 0.214 462 L C 2.643 179.499 176.870 -0.023 0.000 1.076 462 L CA 1.473 56.363 54.840 0.082 0.000 0.758 462 L CB -0.408 41.792 42.059 0.234 0.000 0.890 462 L HN 0.136 nan 8.230 nan 0.000 0.433 463 E N -0.082 119.952 120.200 -0.276 0.000 2.118 463 E HA -0.206 4.145 4.350 0.001 0.000 0.195 463 E C 1.991 178.489 176.600 -0.170 0.000 0.992 463 E CA 2.012 58.158 56.400 -0.424 0.000 0.804 463 E CB -0.013 29.163 29.700 -0.873 0.000 0.741 463 E HN 0.452 nan 8.360 nan 0.000 0.458 464 T N 1.262 115.744 114.554 -0.120 0.000 2.777 464 T HA -0.072 4.278 4.350 0.001 0.000 0.266 464 T C 2.092 176.837 174.700 0.074 0.000 1.040 464 T CA 1.219 63.294 62.100 -0.042 0.000 1.141 464 T CB -0.170 68.596 68.868 -0.170 0.000 0.868 464 T HN 0.162 nan 8.240 nan 0.000 0.444 465 I N 0.753 121.349 120.570 0.044 0.000 2.226 465 I HA -0.207 3.964 4.170 0.001 0.000 0.245 465 I C 2.599 178.782 176.117 0.110 0.000 1.100 465 I CA 0.897 62.253 61.300 0.094 0.000 1.374 465 I CB -0.371 37.680 38.000 0.084 0.000 1.057 465 I HN 0.337 nan 8.210 nan 0.000 0.413 466 C N -0.054 119.293 119.300 0.079 0.000 2.446 466 C HA -0.135 4.325 4.460 0.001 0.000 0.277 466 C C 2.905 177.908 174.990 0.023 0.000 1.275 466 C CA 0.697 59.761 59.018 0.077 0.000 1.727 466 C CB -1.136 26.674 27.740 0.117 0.000 2.010 466 C HN 0.460 nan 8.230 nan 0.000 0.486 467 R N -0.357 120.106 120.500 -0.060 0.000 2.159 467 R HA -0.149 4.192 4.340 0.001 0.000 0.237 467 R C 1.030 177.089 176.300 -0.402 0.000 1.131 467 R CA 1.730 57.681 56.100 -0.248 0.000 0.982 467 R CB -0.218 29.853 30.300 -0.381 0.000 0.868 467 R HN 0.651 nan 8.270 nan 0.000 0.453 468 Y N -0.003 120.337 120.300 0.066 0.000 2.507 468 Y HA 0.290 4.841 4.550 0.001 0.000 0.254 468 Y C -0.246 175.713 175.900 0.098 0.000 1.171 468 Y CA -0.290 57.875 58.100 0.108 0.000 1.238 468 Y CB -0.136 38.445 38.460 0.201 0.000 1.148 468 Y HN 0.120 nan 8.280 nan 0.000 0.525 469 N N 0.842 119.631 118.700 0.148 0.000 2.705 469 N HA -0.211 4.530 4.740 0.001 0.000 0.255 469 N C -1.141 174.451 175.510 0.137 0.000 1.008 469 N CA -0.020 53.102 53.050 0.119 0.000 0.742 469 N CB -1.294 37.249 38.487 0.095 0.000 0.906 469 N HN 0.284 nan 8.380 nan 0.000 0.541 470 L N 0.618 121.928 121.223 0.146 0.000 2.334 470 L HA 0.390 4.731 4.340 0.001 0.000 0.277 470 L C -1.499 175.431 176.870 0.099 0.000 1.075 470 L CA -1.906 53.010 54.840 0.127 0.000 0.804 470 L CB 0.640 42.770 42.059 0.119 0.000 1.174 470 L HN -0.069 nan 8.230 nan 0.000 0.438 471 P HA 0.100 nan 4.420 nan 0.000 0.230 471 P C -0.769 176.574 177.300 0.071 0.000 1.791 471 P CA 0.060 63.207 63.100 0.078 0.000 1.020 471 P CB 0.049 31.795 31.700 0.075 0.000 1.977 472 V N 1.843 121.799 119.914 0.072 0.000 2.495 472 V HA 0.391 4.512 4.120 0.001 0.000 0.298 472 V C 0.413 176.538 176.094 0.052 0.000 1.031 472 V CA -0.206 62.132 62.300 0.063 0.000 0.871 472 V CB 2.165 34.031 31.823 0.072 0.000 0.988 472 V HN 0.163 nan 8.190 nan 0.000 0.432 473 T N 3.896 118.465 114.554 0.025 0.000 2.842 473 T HA 0.433 4.783 4.350 0.001 0.000 0.308 473 T C -0.296 174.391 174.700 -0.021 0.000 1.041 473 T CA -0.348 61.746 62.100 -0.009 0.000 0.964 473 T CB 1.201 70.026 68.868 -0.073 0.000 0.972 473 T HN 0.342 nan 8.240 nan 0.000 0.460 474 V N 5.400 125.305 119.914 -0.014 0.000 2.432 474 V HA 0.386 4.507 4.120 0.001 0.000 0.271 474 V C 0.208 176.236 176.094 -0.110 0.000 1.046 474 V CA -0.596 61.675 62.300 -0.048 0.000 0.945 474 V CB 0.607 32.405 31.823 -0.042 0.000 0.992 474 V HN 0.794 nan 8.190 nan 0.000 0.471 475 I N 6.053 126.553 120.570 -0.117 0.000 2.328 475 I HA 0.365 4.536 4.170 0.001 0.000 0.287 475 I C -0.478 175.535 176.117 -0.172 0.000 1.012 475 I CA -0.447 60.773 61.300 -0.134 0.000 1.195 475 I CB 1.349 39.286 38.000 -0.105 0.000 1.350 475 I HN 0.352 nan 8.210 nan 0.000 0.464 476 I N 7.205 127.631 120.570 -0.239 0.000 2.312 476 I HA 0.198 4.369 4.170 0.001 0.000 0.291 476 I C 0.328 176.341 176.117 -0.174 0.000 1.031 476 I CA -0.501 60.610 61.300 -0.316 0.000 1.293 476 I CB 1.175 38.841 38.000 -0.557 0.000 1.403 476 I HN 0.494 nan 8.210 nan 0.000 0.484 477 M N 5.526 125.061 119.600 -0.108 0.000 3.237 477 M HA 0.073 4.554 4.480 0.001 0.000 0.266 477 M C 0.397 176.669 176.300 -0.048 0.000 1.456 477 M CA -0.054 55.211 55.300 -0.058 0.000 1.593 477 M CB -1.369 31.261 32.600 0.051 0.000 1.129 477 M HN 0.331 nan 8.290 nan 0.000 0.547 478 N N 3.542 122.207 118.700 -0.059 0.000 2.605 478 N HA 0.028 4.768 4.740 0.001 0.000 0.258 478 N C 0.430 175.945 175.510 0.008 0.000 1.156 478 N CA 0.090 53.141 53.050 0.002 0.000 1.008 478 N CB 0.248 38.767 38.487 0.053 0.000 1.354 478 N HN 0.416 nan 8.380 nan 0.000 0.509 479 N N 2.175 120.891 118.700 0.027 0.000 2.236 479 N HA 0.084 4.825 4.740 0.001 0.000 0.196 479 N C 0.743 176.287 175.510 0.057 0.000 1.114 479 N CA 0.348 53.417 53.050 0.031 0.000 0.859 479 N CB -0.013 38.504 38.487 0.051 0.000 0.982 479 N HN 0.396 nan 8.380 nan 0.000 0.493 480 G N -1.110 107.735 108.800 0.073 0.000 2.182 480 G HA2 0.148 4.108 3.960 0.001 0.000 0.248 480 G HA3 0.148 4.108 3.960 0.001 0.000 0.248 480 G C 0.269 175.206 174.900 0.062 0.000 1.042 480 G CA 0.288 45.431 45.100 0.071 0.000 0.775 480 G HN 1.019 nan 8.290 nan 0.000 0.501 481 G N -1.452 107.388 108.800 0.066 0.000 2.327 481 G HA2 0.467 4.428 3.960 0.001 0.000 0.291 481 G HA3 0.467 4.428 3.960 0.001 0.000 0.291 481 G C -0.772 174.134 174.900 0.009 0.000 1.290 481 G CA -0.469 44.652 45.100 0.035 0.000 0.857 481 G HN 0.838 nan 8.290 nan 0.000 0.520 482 I N 1.816 122.339 120.570 -0.079 0.000 2.322 482 I HA 0.313 4.484 4.170 0.001 0.000 0.292 482 I C 0.946 176.892 176.117 -0.286 0.000 1.060 482 I CA -0.007 61.125 61.300 -0.279 0.000 1.309 482 I CB 0.019 37.763 38.000 -0.427 0.000 1.415 482 I HN 0.715 nan 8.210 nan 0.000 0.492 483 Y N 3.509 123.850 120.300 0.068 0.000 2.760 483 Y HA -0.378 4.172 4.550 0.001 0.000 0.484 483 Y C 0.521 176.473 175.900 0.086 0.000 1.172 483 Y CA 0.653 58.788 58.100 0.058 0.000 2.808 483 Y CB -1.414 37.067 38.460 0.035 0.000 0.948 483 Y HN 0.504 nan 8.280 nan 0.000 0.551 484 K N -0.861 119.674 120.400 0.224 0.000 2.480 484 K HA 0.723 5.043 4.320 0.001 0.000 0.258 484 K C 0.631 177.291 176.600 0.101 0.000 0.990 484 K CA -0.244 56.138 56.287 0.157 0.000 0.857 484 K CB 2.084 34.668 32.500 0.140 0.000 1.384 484 K HN 0.165 nan 8.250 nan 0.000 0.446 485 G N 0.781 109.629 108.800 0.081 0.000 3.774 485 G HA2 0.007 3.967 3.960 0.001 0.000 0.287 485 G HA3 0.007 3.967 3.960 0.001 0.000 0.287 485 G C -0.026 174.901 174.900 0.045 0.000 1.030 485 G CA -0.262 44.872 45.100 0.057 0.000 0.824 485 G HN 0.609 nan 8.290 nan 0.000 0.518 486 N N -0.451 118.278 118.700 0.049 0.000 2.299 486 N HA 0.064 4.805 4.740 0.001 0.000 0.246 486 N C -0.140 175.392 175.510 0.037 0.000 1.254 486 N CA -0.550 52.523 53.050 0.038 0.000 0.879 486 N CB 0.170 38.679 38.487 0.038 0.000 1.214 486 N HN 0.311 nan 8.380 nan 0.000 0.510 487 E N 1.151 121.376 120.200 0.040 0.000 2.366 487 E HA 0.381 4.731 4.350 0.001 0.000 0.266 487 E C -0.068 176.548 176.600 0.027 0.000 1.015 487 E CA -0.424 55.999 56.400 0.038 0.000 0.906 487 E CB 0.645 30.371 29.700 0.043 0.000 0.979 487 E HN 0.390 nan 8.360 nan 0.000 0.443 488 A N 4.720 127.554 122.820 0.024 0.000 2.466 488 A HA 0.011 4.332 4.320 0.001 0.000 0.238 488 A C -0.294 177.299 177.584 0.016 0.000 1.074 488 A CA -0.321 51.727 52.037 0.018 0.000 0.774 488 A CB 0.243 19.253 19.000 0.017 0.000 1.015 488 A HN 0.733 nan 8.150 nan 0.000 0.498 489 D N 2.434 122.841 120.400 0.012 0.000 2.472 489 D HA 0.200 4.840 4.640 0.001 0.000 0.248 489 D C -1.324 174.982 176.300 0.009 0.000 1.174 489 D CA -0.797 53.208 54.000 0.009 0.000 0.883 489 D CB 0.626 41.430 40.800 0.007 0.000 1.149 489 D HN 0.240 nan 8.370 nan 0.000 0.488 490 P HA -0.104 nan 4.420 nan 0.000 0.218 490 P C 0.069 177.373 177.300 0.006 0.000 1.148 490 P CA 1.160 64.265 63.100 0.008 0.000 0.822 490 P CB 0.431 32.136 31.700 0.008 0.000 0.784 491 Q N -2.522 117.281 119.800 0.005 0.000 2.565 491 Q HA 0.372 4.713 4.340 0.001 0.000 0.294 491 Q C -2.882 173.120 176.000 0.003 0.000 1.005 491 Q CA -2.402 53.404 55.803 0.004 0.000 0.771 491 Q CB 0.584 29.324 28.738 0.003 0.000 1.486 491 Q HN -0.144 nan 8.270 nan 0.000 0.422 492 P HA 0.090 nan 4.420 nan 0.000 0.262 492 P C 0.534 177.835 177.300 0.001 0.000 1.199 492 P CA 1.080 64.181 63.100 0.002 0.000 0.763 492 P CB 0.005 31.706 31.700 0.002 0.000 0.790 493 G N 1.895 110.696 108.800 0.001 0.000 2.155 493 G HA2 -0.205 3.756 3.960 0.001 0.000 0.257 493 G HA3 -0.205 3.756 3.960 0.001 0.000 0.257 493 G C -0.018 174.882 174.900 -0.000 0.000 0.983 493 G CA -0.182 44.918 45.100 0.000 0.000 0.676 493 G HN 0.520 nan 8.290 nan 0.000 0.528 494 V N 1.630 121.544 119.914 0.001 0.000 2.347 494 V HA 0.520 4.641 4.120 0.001 0.000 0.280 494 V C 0.939 177.034 176.094 0.001 0.000 1.021 494 V CA -0.864 61.437 62.300 0.000 0.000 0.847 494 V CB 1.723 33.547 31.823 0.001 0.000 0.990 494 V HN 0.404 nan 8.190 nan 0.000 0.444 495 I N 3.773 124.343 120.570 0.000 0.000 2.634 495 I HA 0.159 4.330 4.170 0.001 0.000 0.284 495 I C 1.069 177.188 176.117 0.002 0.000 1.124 495 I CA 0.564 61.865 61.300 0.001 0.000 1.417 495 I CB 1.274 39.273 38.000 -0.001 0.000 1.396 495 I HN 0.763 nan 8.210 nan 0.000 0.571 496 S N 5.504 121.207 115.700 0.006 0.000 2.573 496 S HA -0.029 4.441 4.470 0.001 0.000 0.277 496 S C 1.367 175.969 174.600 0.002 0.000 1.346 496 S CA -0.309 57.895 58.200 0.007 0.000 1.034 496 S CB 0.637 63.846 63.200 0.014 0.000 0.879 496 S HN 0.860 nan 8.310 nan 0.000 0.528 497 C N 2.119 121.420 119.300 0.001 0.000 2.456 497 C HA 0.115 4.575 4.460 0.001 0.000 0.279 497 C C 2.252 177.231 174.990 -0.017 0.000 1.427 497 C CA 0.680 59.694 59.018 -0.007 0.000 1.778 497 C CB -2.218 25.519 27.740 -0.005 0.000 1.842 497 C HN 0.950 nan 8.230 nan 0.000 0.531 498 T N -2.730 111.816 114.554 -0.013 0.000 3.107 498 T HA 0.209 4.560 4.350 0.001 0.000 0.249 498 T C 0.673 175.361 174.700 -0.021 0.000 1.096 498 T CA -0.151 61.928 62.100 -0.035 0.000 1.012 498 T CB -0.267 68.587 68.868 -0.025 0.000 0.977 498 T HN 0.471 nan 8.240 nan 0.000 0.527 499 R N 1.158 121.655 120.500 -0.005 0.000 2.441 499 R HA 0.595 4.935 4.340 0.001 0.000 0.284 499 R C -0.381 175.923 176.300 0.006 0.000 1.070 499 R CA -0.291 55.813 56.100 0.007 0.000 1.047 499 R CB 0.927 31.232 30.300 0.009 0.000 1.016 499 R HN 0.383 nan 8.270 nan 0.000 0.477 500 L N 0.709 121.946 121.223 0.023 0.000 2.341 500 L HA 0.368 4.708 4.340 0.001 0.000 0.267 500 L C 0.338 177.231 176.870 0.037 0.000 1.009 500 L CA -0.944 53.918 54.840 0.037 0.000 0.819 500 L CB 2.107 44.211 42.059 0.075 0.000 1.323 500 L HN 0.496 nan 8.230 nan 0.000 0.425 501 T N 0.649 115.217 114.554 0.023 0.000 2.908 501 T HA 0.004 4.355 4.350 0.001 0.000 0.301 501 T C 0.613 175.324 174.700 0.019 0.000 1.019 501 T CA 0.067 62.167 62.100 -0.000 0.000 1.152 501 T CB 0.106 68.950 68.868 -0.040 0.000 0.966 501 T HN 0.354 nan 8.240 nan 0.000 0.540 502 R N 2.577 123.085 120.500 0.014 0.000 4.576 502 R HA 0.272 4.613 4.340 0.001 0.000 0.185 502 R C 1.050 177.337 176.300 -0.021 0.000 1.837 502 R CA -0.254 55.867 56.100 0.036 0.000 1.520 502 R CB -0.719 29.597 30.300 0.026 0.000 1.403 502 R HN 0.787 nan 8.270 nan 0.000 0.831 503 G N 0.598 109.320 108.800 -0.129 0.000 2.634 503 G HA2 0.046 4.006 3.960 0.001 0.000 0.255 503 G HA3 0.046 4.006 3.960 0.001 0.000 0.255 503 G C -0.263 174.454 174.900 -0.305 0.000 1.205 503 G CA -0.667 44.234 45.100 -0.331 0.000 0.884 503 G HN 0.381 nan 8.290 nan 0.000 0.549 504 R N 1.005 121.353 120.500 -0.254 0.000 3.657 504 R HA 0.131 4.472 4.340 0.001 0.000 0.220 504 R C 0.208 176.438 176.300 -0.116 0.000 1.548 504 R CA -0.369 55.658 56.100 -0.122 0.000 1.465 504 R CB -0.356 29.895 30.300 -0.081 0.000 1.330 504 R HN 0.640 nan 8.270 nan 0.000 0.707 505 Y N 0.854 121.145 120.300 -0.015 0.000 2.333 505 Y HA -0.244 4.306 4.550 0.001 0.000 0.290 505 Y C 2.100 177.991 175.900 -0.015 0.000 1.144 505 Y CA 1.515 59.605 58.100 -0.017 0.000 1.228 505 Y CB 0.034 38.417 38.460 -0.128 0.000 0.985 505 Y HN 0.443 nan 8.280 nan 0.000 0.542 506 D N -0.163 120.306 120.400 0.114 0.000 2.144 506 D HA -0.234 4.406 4.640 0.001 0.000 0.199 506 D C 1.861 178.177 176.300 0.026 0.000 0.984 506 D CA 1.474 55.512 54.000 0.064 0.000 0.834 506 D CB -0.617 40.208 40.800 0.041 0.000 0.955 506 D HN 0.365 nan 8.370 nan 0.000 0.465 507 M N -0.232 119.367 119.600 -0.001 0.000 2.175 507 M HA -0.035 4.446 4.480 0.001 0.000 0.264 507 M C 2.583 178.859 176.300 -0.040 0.000 1.063 507 M CA 0.947 56.225 55.300 -0.037 0.000 1.119 507 M CB -0.209 32.357 32.600 -0.057 0.000 1.377 507 M HN 0.013 nan 8.290 nan 0.000 0.415 508 M N -0.014 119.595 119.600 0.015 0.000 2.080 508 M HA -0.270 4.210 4.480 0.001 0.000 0.260 508 M C 2.251 178.624 176.300 0.121 0.000 1.068 508 M CA 1.803 57.145 55.300 0.069 0.000 1.109 508 M CB -0.123 32.602 32.600 0.208 0.000 1.342 508 M HN 0.262 nan 8.290 nan 0.000 0.405 509 M N 0.888 120.590 119.600 0.170 0.000 2.117 509 M HA -0.185 4.296 4.480 0.001 0.000 0.262 509 M C 1.596 177.958 176.300 0.102 0.000 1.065 509 M CA 2.023 57.443 55.300 0.199 0.000 1.114 509 M CB -0.488 32.203 32.600 0.153 0.000 1.361 509 M HN 0.330 nan 8.290 nan 0.000 0.408 510 E N -0.361 119.845 120.200 0.011 0.000 2.153 510 E HA -0.136 4.215 4.350 0.001 0.000 0.194 510 E C 1.887 178.416 176.600 -0.119 0.000 0.988 510 E CA 1.111 57.485 56.400 -0.043 0.000 0.811 510 E CB -0.357 29.305 29.700 -0.063 0.000 0.746 510 E HN 0.665 nan 8.360 nan 0.000 0.466 511 A N 0.250 122.918 122.820 -0.254 0.000 2.076 511 A HA -0.145 4.176 4.320 0.001 0.000 0.220 511 A C 1.194 178.371 177.584 -0.677 0.000 1.160 511 A CA 1.101 52.820 52.037 -0.530 0.000 0.653 511 A CB -0.296 18.230 19.000 -0.789 0.000 0.801 511 A HN 0.222 nan 8.150 nan 0.000 0.455 512 F N -1.722 118.242 119.950 0.024 0.000 2.683 512 F HA 0.445 4.973 4.527 0.001 0.000 0.306 512 F C 1.567 177.377 175.800 0.015 0.000 1.102 512 F CA 0.048 58.061 58.000 0.022 0.000 1.244 512 F CB 0.288 39.308 39.000 0.034 0.000 1.029 512 F HN 0.274 nan 8.300 nan 0.000 0.545 513 G N 0.117 108.973 108.800 0.093 0.000 2.159 513 G HA2 -0.153 3.808 3.960 0.001 0.000 0.227 513 G HA3 -0.153 3.808 3.960 0.001 0.000 0.227 513 G C 0.671 175.613 174.900 0.070 0.000 0.986 513 G CA -0.295 44.844 45.100 0.065 0.000 0.651 513 G HN 0.748 nan 8.290 nan 0.000 0.523 514 G N -0.354 108.503 108.800 0.094 0.000 2.562 514 G HA2 0.567 4.528 3.960 0.001 0.000 0.275 514 G HA3 0.567 4.528 3.960 0.001 0.000 0.275 514 G C -0.034 174.894 174.900 0.046 0.000 1.196 514 G CA -0.511 44.643 45.100 0.090 0.000 0.908 514 G HN 0.404 nan 8.290 nan 0.000 0.524 515 K N -0.322 120.107 120.400 0.050 0.000 2.172 515 K HA 0.532 4.853 4.320 0.001 0.000 0.276 515 K C 0.252 176.847 176.600 -0.008 0.000 1.013 515 K CA -0.224 56.053 56.287 -0.016 0.000 0.913 515 K CB 1.742 34.253 32.500 0.019 0.000 1.055 515 K HN 0.518 nan 8.250 nan 0.000 0.461 516 G N 1.865 110.577 108.800 -0.146 0.000 2.448 516 G HA2 0.580 4.540 3.960 0.001 0.000 0.324 516 G HA3 0.580 4.540 3.960 0.001 0.000 0.324 516 G C -1.581 173.169 174.900 -0.249 0.000 1.203 516 G CA -0.385 44.672 45.100 -0.072 0.000 0.954 516 G HN 0.413 nan 8.290 nan 0.000 0.480 517 Y N -0.214 120.077 120.300 -0.014 0.000 2.524 517 Y HA 0.516 5.066 4.550 0.001 0.000 0.347 517 Y C -0.204 175.683 175.900 -0.021 0.000 1.005 517 Y CA -0.943 57.145 58.100 -0.021 0.000 1.025 517 Y CB 2.677 41.119 38.460 -0.030 0.000 1.275 517 Y HN 0.390 nan 8.280 nan 0.000 0.460 518 V N 2.377 122.373 119.914 0.137 0.000 2.398 518 V HA 0.781 4.901 4.120 0.001 0.000 0.286 518 V C -0.377 175.756 176.094 0.065 0.000 1.026 518 V CA -0.809 61.536 62.300 0.075 0.000 0.868 518 V CB 1.258 33.104 31.823 0.038 0.000 0.982 518 V HN 0.850 nan 8.190 nan 0.000 0.443 519 A N 3.474 126.310 122.820 0.028 0.000 2.267 519 A HA 0.532 4.853 4.320 0.001 0.000 0.315 519 A C 0.356 177.932 177.584 -0.013 0.000 1.297 519 A CA -0.537 51.499 52.037 -0.001 0.000 0.865 519 A CB 0.106 19.085 19.000 -0.035 0.000 1.165 519 A HN 0.913 nan 8.150 nan 0.000 0.513 520 N N 0.427 119.122 118.700 -0.009 0.000 2.325 520 N HA 0.068 4.809 4.740 0.001 0.000 0.182 520 N C 0.262 175.760 175.510 -0.021 0.000 1.088 520 N CA 0.867 53.909 53.050 -0.014 0.000 0.879 520 N CB 0.693 39.176 38.487 -0.007 0.000 0.983 520 N HN 0.756 nan 8.380 nan 0.000 0.471 521 T N -3.520 111.022 114.554 -0.020 0.000 2.883 521 T HA 0.324 4.674 4.350 0.001 0.000 0.301 521 T C -2.480 172.204 174.700 -0.025 0.000 1.158 521 T CA -1.918 60.170 62.100 -0.021 0.000 1.007 521 T CB 2.189 71.049 68.868 -0.013 0.000 1.186 521 T HN -0.348 nan 8.240 nan 0.000 0.499 522 P HA -0.049 nan 4.420 nan 0.000 0.216 522 P C 1.648 178.936 177.300 -0.020 0.000 1.150 522 P CA 1.763 64.849 63.100 -0.023 0.000 0.843 522 P CB -0.233 31.458 31.700 -0.014 0.000 0.787 523 A N -0.166 122.646 122.820 -0.013 0.000 1.930 523 A HA -0.224 4.097 4.320 0.001 0.000 0.217 523 A C 2.155 179.731 177.584 -0.013 0.000 1.175 523 A CA 1.592 53.625 52.037 -0.008 0.000 0.627 523 A CB -1.119 17.880 19.000 -0.002 0.000 0.815 523 A HN 0.182 nan 8.150 nan 0.000 0.443 524 E N -0.796 119.396 120.200 -0.014 0.000 2.072 524 E HA -0.167 4.184 4.350 0.001 0.000 0.191 524 E C 1.938 178.513 176.600 -0.041 0.000 0.985 524 E CA 1.134 57.527 56.400 -0.012 0.000 0.801 524 E CB -0.239 29.460 29.700 -0.001 0.000 0.750 524 E HN 0.496 nan 8.360 nan 0.000 0.452 525 L N 1.842 123.031 121.223 -0.056 0.000 2.083 525 L HA -0.190 4.151 4.340 0.001 0.000 0.209 525 L C 2.214 179.008 176.870 -0.127 0.000 1.083 525 L CA 1.831 56.613 54.840 -0.098 0.000 0.752 525 L CB -0.296 41.713 42.059 -0.083 0.000 0.899 525 L HN -0.079 nan 8.230 nan 0.000 0.433 526 K N -0.650 119.703 120.400 -0.078 0.000 1.991 526 K HA -0.199 4.122 4.320 0.001 0.000 0.212 526 K C 2.031 178.585 176.600 -0.077 0.000 1.049 526 K CA 1.579 57.829 56.287 -0.061 0.000 0.932 526 K CB -0.356 32.139 32.500 -0.009 0.000 0.717 526 K HN 0.423 nan 8.250 nan 0.000 0.441 527 A N 1.042 123.829 122.820 -0.055 0.000 1.883 527 A HA -0.162 4.159 4.320 0.001 0.000 0.217 527 A C 2.357 179.871 177.584 -0.117 0.000 1.186 527 A CA 2.168 54.178 52.037 -0.044 0.000 0.624 527 A CB -0.993 18.004 19.000 -0.005 0.000 0.822 527 A HN 0.541 nan 8.150 nan 0.000 0.444 528 A N -0.664 122.031 122.820 -0.208 0.000 1.877 528 A HA -0.055 4.266 4.320 0.001 0.000 0.216 528 A C 2.156 179.381 177.584 -0.599 0.000 1.186 528 A CA 1.845 53.563 52.037 -0.533 0.000 0.620 528 A CB -0.668 17.991 19.000 -0.568 0.000 0.822 528 A HN 0.692 nan 8.150 nan 0.000 0.443 529 L N 0.189 121.147 121.223 -0.442 0.000 2.017 529 L HA -0.138 4.203 4.340 0.001 0.000 0.208 529 L C 2.208 178.779 176.870 -0.499 0.000 1.073 529 L CA 2.385 56.922 54.840 -0.506 0.000 0.745 529 L CB -0.869 40.854 42.059 -0.559 0.000 0.894 529 L HN 0.539 nan 8.230 nan 0.000 0.432 530 E N -0.509 119.512 120.200 -0.298 0.000 2.058 530 E HA -0.267 4.084 4.350 0.001 0.000 0.194 530 E C 2.038 178.639 176.600 0.002 0.000 0.997 530 E CA 1.754 58.151 56.400 -0.005 0.000 0.801 530 E CB -0.133 29.627 29.700 0.099 0.000 0.746 530 E HN 0.636 nan 8.360 nan 0.000 0.450 531 E N 0.444 120.608 120.200 -0.059 0.000 2.072 531 E HA -0.132 4.219 4.350 0.001 0.000 0.190 531 E C 2.064 178.666 176.600 0.003 0.000 0.982 531 E CA 0.786 57.187 56.400 0.001 0.000 0.803 531 E CB -0.074 29.653 29.700 0.046 0.000 0.755 531 E HN 0.216 nan 8.360 nan 0.000 0.453 532 A N 0.874 123.623 122.820 -0.118 0.000 1.877 532 A HA -0.155 4.166 4.320 0.001 0.000 0.216 532 A C 2.491 180.067 177.584 -0.013 0.000 1.186 532 A CA 1.263 53.261 52.037 -0.064 0.000 0.620 532 A CB -0.718 18.152 19.000 -0.215 0.000 0.822 532 A HN 0.120 nan 8.150 nan 0.000 0.443 533 V N -0.235 119.653 119.914 -0.043 0.000 2.358 533 V HA -0.210 3.911 4.120 0.001 0.000 0.246 533 V C 3.029 179.181 176.094 0.098 0.000 1.047 533 V CA 1.916 64.246 62.300 0.051 0.000 1.035 533 V CB -1.134 30.777 31.823 0.146 0.000 0.658 533 V HN 0.610 nan 8.190 nan 0.000 0.452 534 A N 0.604 123.486 122.820 0.103 0.000 2.015 534 A HA -0.176 4.144 4.320 0.001 0.000 0.219 534 A C 2.531 180.160 177.584 0.075 0.000 1.163 534 A CA 1.910 54.003 52.037 0.093 0.000 0.646 534 A CB -0.667 18.388 19.000 0.091 0.000 0.806 534 A HN 0.688 nan 8.150 nan 0.000 0.448 535 S N -0.999 114.745 115.700 0.074 0.000 2.383 535 S HA 0.164 4.635 4.470 0.001 0.000 0.229 535 S C 1.679 176.321 174.600 0.069 0.000 1.030 535 S CA 1.560 59.805 58.200 0.074 0.000 1.002 535 S CB -0.957 62.298 63.200 0.091 0.000 0.829 535 S HN 2.038 nan 8.310 nan 0.000 0.467 536 G N 0.658 109.501 108.800 0.071 0.000 2.147 536 G HA2 -0.229 3.732 3.960 0.001 0.000 0.244 536 G HA3 -0.229 3.732 3.960 0.001 0.000 0.244 536 G C -0.128 174.816 174.900 0.073 0.000 1.005 536 G CA 0.466 45.608 45.100 0.070 0.000 0.713 536 G HN 0.715 nan 8.290 nan 0.000 0.515 537 K N 0.112 120.559 120.400 0.077 0.000 2.400 537 K HA 0.601 4.922 4.320 0.001 0.000 0.246 537 K C -2.682 173.970 176.600 0.088 0.000 0.995 537 K CA -2.345 53.990 56.287 0.081 0.000 0.840 537 K CB 2.584 35.130 32.500 0.078 0.000 1.293 537 K HN -0.076 nan 8.250 nan 0.000 0.445 538 P HA 0.076 nan 4.420 nan 0.000 0.271 538 P C -0.793 176.573 177.300 0.109 0.000 1.233 538 P CA -0.196 62.963 63.100 0.098 0.000 0.764 538 P CB 0.152 31.913 31.700 0.103 0.000 0.825 539 C N 3.838 123.204 119.300 0.111 0.000 2.889 539 C HA 0.726 5.187 4.460 0.001 0.000 0.307 539 C C -0.134 174.924 174.990 0.113 0.000 1.251 539 C CA -0.623 58.485 59.018 0.149 0.000 1.593 539 C CB 1.666 29.518 27.740 0.187 0.000 2.104 539 C HN 0.552 nan 8.230 nan 0.000 0.476 540 L N 1.922 123.232 121.223 0.146 0.000 2.438 540 L HA 0.711 5.051 4.340 0.001 0.000 0.270 540 L C -1.419 175.521 176.870 0.117 0.000 0.972 540 L CA -0.327 54.556 54.840 0.072 0.000 0.831 540 L CB 1.001 43.088 42.059 0.047 0.000 1.273 540 L HN 0.682 nan 8.230 nan 0.000 0.405 541 I N 4.104 124.678 120.570 0.007 0.000 2.339 541 I HA 0.297 4.468 4.170 0.001 0.000 0.290 541 I C -0.289 175.807 176.117 -0.034 0.000 0.994 541 I CA -0.475 60.825 61.300 -0.001 0.000 1.191 541 I CB 1.475 39.395 38.000 -0.134 0.000 1.343 541 I HN 0.535 nan 8.210 nan 0.000 0.458 542 N N 5.963 124.673 118.700 0.016 0.000 2.602 542 N HA 0.326 5.067 4.740 0.001 0.000 0.238 542 N C -0.433 175.070 175.510 -0.011 0.000 1.084 542 N CA -0.211 52.842 53.050 0.005 0.000 0.952 542 N CB 0.806 39.334 38.487 0.068 0.000 1.244 542 N HN 0.676 nan 8.380 nan 0.000 0.512 543 A N 4.016 126.805 122.820 -0.052 0.000 2.347 543 A HA 0.356 4.676 4.320 0.001 0.000 0.287 543 A C 0.221 177.770 177.584 -0.057 0.000 1.199 543 A CA -0.436 51.565 52.037 -0.060 0.000 0.851 543 A CB 0.018 18.967 19.000 -0.084 0.000 1.118 543 A HN 0.533 nan 8.150 nan 0.000 0.525 544 M N 4.395 123.967 119.600 -0.046 0.000 2.135 544 M HA 0.287 4.768 4.480 0.001 0.000 0.345 544 M C -0.446 175.808 176.300 -0.076 0.000 1.340 544 M CA -0.205 55.070 55.300 -0.042 0.000 1.162 544 M CB -0.374 32.213 32.600 -0.022 0.000 1.570 544 M HN 0.376 nan 8.290 nan 0.000 0.454 545 I N 1.866 122.373 120.570 -0.104 0.000 2.437 545 I HA 0.210 4.380 4.170 0.001 0.000 0.298 545 I C 0.513 176.562 176.117 -0.114 0.000 0.984 545 I CA -0.761 60.433 61.300 -0.177 0.000 1.214 545 I CB 1.322 39.122 38.000 -0.334 0.000 1.365 545 I HN 0.495 nan 8.210 nan 0.000 0.469 546 D N 7.667 128.002 120.400 -0.108 0.000 2.472 546 D HA 0.011 4.651 4.640 0.001 0.000 0.248 546 D C -1.652 174.641 176.300 -0.013 0.000 1.174 546 D CA -1.238 52.734 54.000 -0.045 0.000 0.883 546 D CB 1.315 42.096 40.800 -0.031 0.000 1.149 546 D HN 0.198 nan 8.370 nan 0.000 0.488 547 P HA -0.123 nan 4.420 nan 0.000 0.218 547 P C 0.514 177.852 177.300 0.064 0.000 1.146 547 P CA 1.008 64.132 63.100 0.039 0.000 0.813 547 P CB 0.301 32.020 31.700 0.033 0.000 0.778 548 D N -1.953 118.479 120.400 0.054 0.000 2.349 548 D HA 0.157 4.798 4.640 0.001 0.000 0.214 548 D C 1.755 178.108 176.300 0.088 0.000 1.063 548 D CA 0.107 54.146 54.000 0.065 0.000 0.847 548 D CB -0.273 40.554 40.800 0.045 0.000 0.933 548 D HN -0.083 nan 8.370 nan 0.000 0.513 549 A N -0.162 122.724 122.820 0.110 0.000 1.930 549 A HA 0.256 4.577 4.320 0.001 0.000 0.217 549 A C 1.583 179.321 177.584 0.256 0.000 1.175 549 A CA 1.131 53.264 52.037 0.160 0.000 0.627 549 A CB -0.652 18.411 19.000 0.105 0.000 0.815 549 A HN 0.283 nan 8.150 nan 0.000 0.443 550 G N -1.101 107.889 108.800 0.316 0.000 2.528 550 G HA2 0.490 4.451 3.960 0.001 0.000 0.289 550 G HA3 0.490 4.451 3.960 0.001 0.000 0.289 550 G C -0.051 174.898 174.900 0.081 0.000 1.192 550 G CA 0.244 45.461 45.100 0.194 0.000 0.921 550 G HN 0.981 nan 8.290 nan 0.000 0.512 551 V N -1.567 118.342 119.914 -0.009 0.000 2.975 551 V HA 0.671 4.792 4.120 0.001 0.000 0.318 551 V C 0.127 176.133 176.094 -0.147 0.000 1.077 551 V CA -1.238 61.031 62.300 -0.052 0.000 1.000 551 V CB 1.737 33.515 31.823 -0.075 0.000 1.066 551 V HN 0.739 nan 8.190 nan 0.000 0.452 552 E N 2.090 122.159 120.200 -0.218 0.000 2.341 552 E HA 0.268 4.618 4.350 0.001 0.000 0.256 552 E C 0.619 176.750 176.600 -0.783 0.000 1.125 552 E CA 1.214 57.287 56.400 -0.546 0.000 0.939 552 E CB -0.390 29.139 29.700 -0.285 0.000 0.991 552 E HN 1.100 nan 8.360 nan 0.000 0.458 553 S N 2.189 117.014 115.700 -1.458 0.000 3.018 553 S HA -0.219 4.251 4.470 0.001 0.000 0.274 553 S C 0.985 175.434 174.600 -0.252 0.000 1.300 553 S CA 0.577 58.339 58.200 -0.730 0.000 1.179 553 S CB -2.277 60.673 63.200 -0.417 0.000 1.427 553 S HN 1.399 nan 8.310 nan 0.000 0.668 554 G N 2.249 110.910 108.800 -0.231 0.000 2.583 554 G HA2 -0.421 3.540 3.960 0.001 0.000 0.292 554 G HA3 -0.421 3.540 3.960 0.001 0.000 0.292 554 G C 0.473 175.308 174.900 -0.107 0.000 1.203 554 G CA 0.627 45.643 45.100 -0.140 0.000 0.987 554 G HN 0.401 nan 8.290 nan 0.000 0.554 555 R N 0.661 121.121 120.500 -0.066 0.000 2.159 555 R HA -0.075 4.266 4.340 0.001 0.000 0.237 555 R C 2.227 178.516 176.300 -0.019 0.000 1.131 555 R CA 1.786 57.862 56.100 -0.040 0.000 0.982 555 R CB -0.848 29.436 30.300 -0.027 0.000 0.868 555 R HN 0.931 nan 8.270 nan 0.000 0.453 556 I N -0.406 120.161 120.570 -0.005 0.000 3.555 556 I HA 0.166 4.336 4.170 0.001 0.000 0.343 556 I C 1.159 177.257 176.117 -0.031 0.000 1.426 556 I CA -0.333 60.984 61.300 0.029 0.000 1.157 556 I CB 0.213 38.290 38.000 0.127 0.000 1.526 556 I HN -0.095 nan 8.210 nan 0.000 0.461 557 K N 0.008 120.366 120.400 -0.070 0.000 2.217 557 K HA 0.022 4.343 4.320 0.001 0.000 0.202 557 K C 1.518 178.087 176.600 -0.050 0.000 1.051 557 K CA 1.219 57.446 56.287 -0.100 0.000 0.952 557 K CB -0.197 32.232 32.500 -0.119 0.000 0.736 557 K HN 0.346 nan 8.250 nan 0.000 0.453 558 S N 1.745 117.433 115.700 -0.019 0.000 2.400 558 S HA -0.051 4.420 4.470 0.001 0.000 0.232 558 S C 1.706 176.312 174.600 0.010 0.000 1.025 558 S CA 1.261 59.462 58.200 0.002 0.000 0.993 558 S CB -0.357 62.856 63.200 0.021 0.000 0.808 558 S HN 0.294 nan 8.310 nan 0.000 0.478 559 L N 1.077 122.308 121.223 0.013 0.000 2.478 559 L HA 0.061 4.402 4.340 0.001 0.000 0.223 559 L C 0.671 177.537 176.870 -0.007 0.000 1.140 559 L CA 0.123 54.971 54.840 0.014 0.000 0.842 559 L CB -0.715 41.355 42.059 0.018 0.000 0.953 559 L HN 0.232 nan 8.230 nan 0.000 0.452 560 N N 0.804 119.495 118.700 -0.015 0.000 2.441 560 N HA 0.066 4.807 4.740 0.001 0.000 0.251 560 N C -0.427 175.080 175.510 -0.006 0.000 1.242 560 N CA 0.151 53.193 53.050 -0.013 0.000 0.898 560 N CB 1.999 40.472 38.487 -0.024 0.000 1.100 560 N HN -0.181 nan 8.380 nan 0.000 0.443 561 V N 2.965 122.878 119.914 -0.002 0.000 2.328 561 V HA 0.261 4.382 4.120 0.001 0.000 0.278 561 V C 0.308 176.404 176.094 0.004 0.000 1.021 561 V CA -0.611 61.689 62.300 -0.000 0.000 0.838 561 V CB 1.308 33.129 31.823 -0.003 0.000 0.999 561 V HN 0.269 nan 8.190 nan 0.000 0.447 562 V N 3.416 123.333 119.914 0.004 0.000 2.769 562 V HA 0.509 4.629 4.120 0.001 0.000 0.312 562 V C 0.405 176.502 176.094 0.005 0.000 1.058 562 V CA -0.515 61.789 62.300 0.006 0.000 0.952 562 V CB 2.106 33.931 31.823 0.004 0.000 1.019 562 V HN 0.796 nan 8.190 nan 0.000 0.445 563 S N 1.547 117.251 115.700 0.007 0.000 2.584 563 S HA 0.410 4.880 4.470 0.001 0.000 0.273 563 S C 0.449 175.052 174.600 0.005 0.000 1.311 563 S CA -0.453 57.750 58.200 0.005 0.000 1.034 563 S CB 0.544 63.747 63.200 0.006 0.000 0.939 563 S HN 0.795 nan 8.310 nan 0.000 0.513 564 K N 2.133 122.536 120.400 0.004 0.000 2.533 564 K HA 0.328 4.649 4.320 0.001 0.000 0.202 564 K C -0.830 175.773 176.600 0.004 0.000 1.096 564 K CA -0.147 56.142 56.287 0.004 0.000 1.056 564 K CB 0.864 33.367 32.500 0.004 0.000 0.890 564 K HN 0.368 nan 8.250 nan 0.000 0.552 565 V N 0.000 119.916 119.914 0.004 0.000 2.409 565 V HA 0.000 4.121 4.120 0.001 0.000 0.244 565 V CA 0.000 62.302 62.300 0.003 0.000 1.235 565 V CB 0.000 31.824 31.823 0.002 0.000 1.184 565 V HN 0.000 nan 8.190 nan 0.000 0.556