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 2iht_1_D DATA FIRST_RESID 11 DATA SEQUENCE KPTAAHALLS RLRDHGVGKV FGVVGREAAS ILFDEVEGID FVLTRHEFTA DATA SEQUENCE GVAADVLARI TGRPQACWAT LGPGXTNLST GIATSVLDRS PVIALAAQSE DATA SEQUENCE SHDIFPNDTH QCLDSVAIVA PXSKYAVELQ RPHEITDLVD SAVNAAXTEP DATA SEQUENCE VGPSFISLPV DLLGSSEGID XXXXNPPANT PAKPVGVVAD GWQKAADQAA DATA SEQUENCE ALLAEAKHPV LVVGAAAIRS GAVPAIRALA ERLNIPVITT YIAKGVLPVG DATA SEQUENCE HELNYGAVTG YXDGILNFPA LQTXFAPVDL VLTVGYDYAE DLRPSXWQKG DATA SEQUENCE IEKKTVRISP TVNPIPRVYR PDVDVVTDVL AFVEHFETAT ASFGAKQRHD DATA SEQUENCE IEPLRARIAE FLADPETYED GXRVHQVIDS XNTVXEEAAE PGEGTIVSDI DATA SEQUENCE GFFRHYGVLF ARADQPFGFL TSAGCSSFGY GIPAAIGAQX ARPDQPTFLI DATA SEQUENCE AGDGGFHSNS SDLETIARLN LPIVTVVVNN DTNGLIELYQ NIGHHRSHDP DATA SEQUENCE AVKFGGVDFV ALAEANGVDA TRATNREELL AALRKGAELG RPFLIEVPVN DATA SEQUENCE YDFQPGGFGA LSI 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 11 K HA 0.000 nan 4.320 nan 0.000 0.191 11 K C 0.000 176.557 176.600 -0.072 0.000 0.988 11 K CA 0.000 56.252 56.287 -0.058 0.000 0.838 11 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 12 P HA -0.002 nan 4.420 nan 0.000 0.265 12 P C -0.333 176.941 177.300 -0.043 0.000 1.193 12 P CA -0.062 62.945 63.100 -0.155 0.000 0.765 12 P CB 0.530 32.011 31.700 -0.365 0.000 0.823 13 T N -1.752 112.809 114.554 0.012 0.000 2.870 13 T HA 0.586 4.936 4.350 0.000 0.000 0.277 13 T C 1.244 175.984 174.700 0.067 0.000 1.000 13 T CA -0.233 61.886 62.100 0.032 0.000 0.982 13 T CB 1.002 69.878 68.868 0.014 0.000 1.249 13 T HN 0.194 nan 8.240 nan 0.000 0.589 14 A N 0.130 122.982 122.820 0.054 0.000 2.024 14 A HA 0.165 4.485 4.320 0.000 0.000 0.220 14 A C 2.548 180.161 177.584 0.048 0.000 1.164 14 A CA 2.004 54.075 52.037 0.056 0.000 0.643 14 A CB -1.621 17.404 19.000 0.043 0.000 0.806 14 A HN 1.222 nan 8.150 nan 0.000 0.451 15 A N -0.703 122.131 122.820 0.024 0.000 1.883 15 A HA -0.211 4.109 4.320 0.000 0.000 0.217 15 A C 2.018 179.581 177.584 -0.034 0.000 1.186 15 A CA 2.110 54.125 52.037 -0.037 0.000 0.624 15 A CB -0.929 18.005 19.000 -0.109 0.000 0.822 15 A HN 0.809 nan 8.150 nan 0.000 0.444 16 H N -0.372 118.660 119.070 -0.064 0.000 2.321 16 H HA 0.046 4.602 4.556 0.000 0.000 0.300 16 H C 2.177 177.498 175.328 -0.013 0.000 1.087 16 H CA 2.001 58.022 56.048 -0.045 0.000 1.319 16 H CB -0.212 29.529 29.762 -0.035 0.000 1.379 16 H HN 0.396 nan 8.280 nan 0.000 0.501 17 A N 0.712 123.608 122.820 0.127 0.000 1.908 17 A HA -0.142 4.178 4.320 0.000 0.000 0.218 17 A C 2.371 179.964 177.584 0.015 0.000 1.181 17 A CA 1.624 53.712 52.037 0.085 0.000 0.627 17 A CB -0.924 18.141 19.000 0.108 0.000 0.818 17 A HN 0.510 nan 8.150 nan 0.000 0.445 18 L N -0.169 121.067 121.223 0.021 0.000 1.976 18 L HA -0.110 4.230 4.340 0.000 0.000 0.209 18 L C 2.297 179.182 176.870 0.025 0.000 1.071 18 L CA 1.900 56.766 54.840 0.045 0.000 0.746 18 L CB -0.674 41.437 42.059 0.088 0.000 0.890 18 L HN 0.393 nan 8.230 nan 0.000 0.432 19 L N -0.937 120.264 121.223 -0.036 0.000 2.083 19 L HA -0.188 4.152 4.340 0.000 0.000 0.209 19 L C 2.733 179.552 176.870 -0.085 0.000 1.083 19 L CA 1.421 56.234 54.840 -0.045 0.000 0.752 19 L CB -0.786 41.216 42.059 -0.096 0.000 0.899 19 L HN 0.449 nan 8.230 nan 0.000 0.433 20 S N -0.118 115.470 115.700 -0.186 0.000 2.368 20 S HA -0.221 4.249 4.470 0.000 0.000 0.225 20 S C 2.200 176.771 174.600 -0.049 0.000 1.030 20 S CA 1.293 59.392 58.200 -0.167 0.000 0.999 20 S CB -0.081 62.972 63.200 -0.245 0.000 0.844 20 S HN 0.238 nan 8.310 nan 0.000 0.459 21 R N 1.042 121.540 120.500 -0.002 0.000 2.092 21 R HA 0.192 4.532 4.340 0.000 0.000 0.231 21 R C 2.212 178.596 176.300 0.140 0.000 1.119 21 R CA 1.329 57.465 56.100 0.060 0.000 0.970 21 R CB -1.052 29.305 30.300 0.095 0.000 0.864 21 R HN 0.509 nan 8.270 nan 0.000 0.440 22 L N -0.123 121.171 121.223 0.119 0.000 2.012 22 L HA -0.163 4.177 4.340 0.000 0.000 0.210 22 L C 2.695 179.629 176.870 0.107 0.000 1.073 22 L CA 1.883 56.805 54.840 0.137 0.000 0.748 22 L CB -0.481 41.645 42.059 0.113 0.000 0.891 22 L HN 0.225 nan 8.230 nan 0.000 0.431 23 R N 0.210 120.738 120.500 0.046 0.000 2.081 23 R HA -0.193 4.147 4.340 0.000 0.000 0.235 23 R C 1.833 178.136 176.300 0.005 0.000 1.131 23 R CA 1.884 57.995 56.100 0.018 0.000 0.960 23 R CB -0.179 30.113 30.300 -0.013 0.000 0.856 23 R HN 0.315 nan 8.270 nan 0.000 0.436 24 D N -0.297 120.088 120.400 -0.025 0.000 2.182 24 D HA -0.163 4.477 4.640 0.000 0.000 0.201 24 D C 1.236 177.442 176.300 -0.158 0.000 0.986 24 D CA 1.172 55.107 54.000 -0.109 0.000 0.847 24 D CB -0.233 40.459 40.800 -0.179 0.000 0.942 24 D HN 0.425 nan 8.370 nan 0.000 0.467 25 H N -1.076 117.997 119.070 0.005 0.000 2.524 25 H HA 0.277 4.833 4.556 0.000 0.000 0.280 25 H C 1.404 176.739 175.328 0.011 0.000 1.018 25 H CA 0.798 56.850 56.048 0.007 0.000 1.165 25 H CB 0.623 30.389 29.762 0.007 0.000 1.411 25 H HN 0.219 nan 8.280 nan 0.000 0.569 26 G N 0.715 109.568 108.800 0.089 0.000 2.176 26 G HA2 -0.277 3.683 3.960 0.000 0.000 0.232 26 G HA3 -0.277 3.683 3.960 0.000 0.000 0.232 26 G C 0.297 175.231 174.900 0.056 0.000 0.986 26 G CA 0.213 45.348 45.100 0.059 0.000 0.643 26 G HN 0.206 nan 8.290 nan 0.000 0.522 27 V N 0.851 120.806 119.914 0.069 0.000 2.572 27 V HA 0.538 4.658 4.120 0.000 0.000 0.291 27 V C 1.551 177.660 176.094 0.026 0.000 1.039 27 V CA 1.230 63.563 62.300 0.055 0.000 1.055 27 V CB 1.373 33.240 31.823 0.073 0.000 0.969 27 V HN 0.673 nan 8.190 nan 0.000 0.482 28 G N 4.273 113.075 108.800 0.003 0.000 3.079 28 G HA2 0.198 4.158 3.960 0.000 0.000 0.233 28 G HA3 0.198 4.158 3.960 0.000 0.000 0.233 28 G C 0.390 175.244 174.900 -0.078 0.000 1.062 28 G CA -0.122 44.964 45.100 -0.024 0.000 0.809 28 G HN 0.487 nan 8.290 nan 0.000 0.535 29 K N 0.638 120.966 120.400 -0.121 0.000 2.464 29 K HA 0.599 4.919 4.320 0.000 0.000 0.253 29 K C -1.535 174.879 176.600 -0.310 0.000 0.933 29 K CA -0.607 55.492 56.287 -0.313 0.000 0.801 29 K CB 2.968 35.145 32.500 -0.538 0.000 1.271 29 K HN -0.119 nan 8.250 nan 0.000 0.430 30 V N 3.640 123.300 119.914 -0.423 0.000 2.376 30 V HA 0.407 4.527 4.120 0.000 0.000 0.287 30 V C -0.692 174.917 176.094 -0.809 0.000 1.015 30 V CA -0.845 61.242 62.300 -0.355 0.000 0.834 30 V CB 0.470 32.240 31.823 -0.089 0.000 1.001 30 V HN 0.517 nan 8.190 nan 0.000 0.428 31 F N 3.223 122.928 119.950 -0.409 0.000 2.410 31 F HA 0.811 5.338 4.527 0.000 0.000 0.348 31 F C 1.040 176.589 175.800 -0.418 0.000 1.106 31 F CA 0.458 58.170 58.000 -0.480 0.000 1.163 31 F CB 1.616 40.465 39.000 -0.250 0.000 1.129 31 F HN 0.707 nan 8.300 nan 0.000 0.516 32 G N 1.027 109.625 108.800 -0.336 0.000 2.325 32 G HA2 0.452 4.412 3.960 0.000 0.000 0.295 32 G HA3 0.452 4.412 3.960 0.000 0.000 0.295 32 G C -2.335 172.754 174.900 0.315 0.000 1.274 32 G CA -0.800 44.368 45.100 0.112 0.000 0.857 32 G HN 0.447 nan 8.290 nan 0.000 0.499 33 V N 0.252 120.412 119.914 0.411 0.000 2.487 33 V HA 0.608 4.728 4.120 0.000 0.000 0.298 33 V C 0.031 176.348 176.094 0.373 0.000 1.028 33 V CA -0.729 61.768 62.300 0.329 0.000 0.860 33 V CB 1.438 33.363 31.823 0.169 0.000 0.991 33 V HN 0.719 nan 8.190 nan 0.000 0.427 34 V N 4.049 124.072 119.914 0.182 0.000 2.439 34 V HA 0.738 4.859 4.120 0.000 0.000 0.282 34 V C 0.908 177.090 176.094 0.147 0.000 1.039 34 V CA 0.300 62.687 62.300 0.144 0.000 0.913 34 V CB 1.171 32.878 31.823 -0.194 0.000 0.983 34 V HN 0.978 nan 8.190 nan 0.000 0.460 35 G N 3.673 112.600 108.800 0.212 0.000 2.849 35 G HA2 0.297 4.257 3.960 0.000 0.000 0.174 35 G HA3 0.297 4.257 3.960 0.000 0.000 0.174 35 G C 0.825 175.797 174.900 0.120 0.000 1.370 35 G CA -0.222 44.961 45.100 0.139 0.000 1.040 35 G HN 0.760 nan 8.290 nan 0.000 0.582 36 R N 0.061 120.622 120.500 0.103 0.000 2.285 36 R HA -0.010 4.330 4.340 0.000 0.000 0.213 36 R C 1.659 178.012 176.300 0.089 0.000 1.068 36 R CA 1.732 57.882 56.100 0.083 0.000 1.004 36 R CB -0.234 30.113 30.300 0.078 0.000 0.873 36 R HN 0.545 nan 8.270 nan 0.000 0.467 37 E N 1.607 121.887 120.200 0.134 0.000 2.401 37 E HA -0.140 4.211 4.350 0.000 0.000 0.199 37 E C 1.561 178.226 176.600 0.108 0.000 1.023 37 E CA 1.090 57.582 56.400 0.154 0.000 0.859 37 E CB -0.070 29.796 29.700 0.276 0.000 0.780 37 E HN 0.475 nan 8.360 nan 0.000 0.523 38 A N 1.841 124.709 122.820 0.079 0.000 2.032 38 A HA -0.081 4.239 4.320 0.000 0.000 0.221 38 A C 2.500 180.072 177.584 -0.020 0.000 1.165 38 A CA 2.024 54.063 52.037 0.004 0.000 0.645 38 A CB -0.705 18.294 19.000 -0.002 0.000 0.807 38 A HN 0.447 nan 8.150 nan 0.000 0.453 39 A N -1.123 121.701 122.820 0.007 0.000 2.019 39 A HA -0.020 4.300 4.320 0.000 0.000 0.219 39 A C 2.275 179.851 177.584 -0.013 0.000 1.164 39 A CA 2.014 54.051 52.037 -0.000 0.000 0.644 39 A CB -0.411 18.599 19.000 0.016 0.000 0.805 39 A HN 0.452 nan 8.150 nan 0.000 0.449 40 S N -1.978 113.714 115.700 -0.013 0.000 2.497 40 S HA 0.378 4.848 4.470 0.000 0.000 0.218 40 S C 0.324 174.867 174.600 -0.095 0.000 1.023 40 S CA 0.015 58.200 58.200 -0.026 0.000 0.913 40 S CB 0.140 63.348 63.200 0.014 0.000 0.800 40 S HN 0.500 nan 8.310 nan 0.000 0.505 41 I N 1.064 121.531 120.570 -0.173 0.000 2.548 41 I HA 0.327 4.497 4.170 0.000 0.000 0.287 41 I C -0.076 175.774 176.117 -0.445 0.000 1.103 41 I CA -0.490 60.564 61.300 -0.410 0.000 1.049 41 I CB 1.307 38.893 38.000 -0.690 0.000 1.232 41 I HN 0.036 nan 8.210 nan 0.000 0.429 42 L N 6.906 127.915 121.223 -0.357 0.000 2.249 42 L HA 0.195 4.535 4.340 0.000 0.000 0.207 42 L C 0.356 177.160 176.870 -0.109 0.000 1.090 42 L CA 0.850 55.574 54.840 -0.193 0.000 0.802 42 L CB 0.026 42.020 42.059 -0.108 0.000 0.947 42 L HN 0.839 nan 8.230 nan 0.000 0.453 43 F N -0.437 119.378 119.950 -0.224 0.000 2.681 43 F HA -0.222 4.305 4.527 0.000 0.000 0.299 43 F C 0.751 176.489 175.800 -0.105 0.000 0.676 43 F CA 0.644 58.526 58.000 -0.198 0.000 1.496 43 F CB -1.791 37.041 39.000 -0.281 0.000 1.827 43 F HN 0.353 nan 8.300 nan 0.000 0.328 44 D N -0.797 119.607 120.400 0.007 0.000 2.479 44 D HA 0.161 4.801 4.640 0.000 0.000 0.218 44 D C 1.267 177.567 176.300 0.001 0.000 1.177 44 D CA 0.285 54.292 54.000 0.012 0.000 0.830 44 D CB 0.008 40.812 40.800 0.006 0.000 1.014 44 D HN 0.294 nan 8.370 nan 0.000 0.503 45 E N -0.098 120.087 120.200 -0.025 0.000 2.153 45 E HA 0.021 4.371 4.350 0.000 0.000 0.194 45 E C 0.173 176.803 176.600 0.050 0.000 0.988 45 E CA 0.769 57.185 56.400 0.027 0.000 0.811 45 E CB 0.328 30.030 29.700 0.004 0.000 0.746 45 E HN 0.128 nan 8.360 nan 0.000 0.466 46 V N 1.304 121.203 119.914 -0.024 0.000 2.483 46 V HA 0.128 4.248 4.120 0.000 0.000 0.297 46 V C -0.334 175.754 176.094 -0.010 0.000 1.027 46 V CA -0.959 61.312 62.300 -0.048 0.000 0.855 46 V CB 1.662 33.399 31.823 -0.144 0.000 0.995 46 V HN 0.054 nan 8.190 nan 0.000 0.424 47 E N 3.199 123.402 120.200 0.005 0.000 2.415 47 E HA 0.384 4.734 4.350 0.000 0.000 0.263 47 E C 1.180 177.779 176.600 -0.001 0.000 0.995 47 E CA 1.125 57.528 56.400 0.006 0.000 0.915 47 E CB 0.596 30.303 29.700 0.012 0.000 0.951 47 E HN 1.055 nan 8.360 nan 0.000 0.449 48 G N 4.137 112.936 108.800 -0.002 0.000 2.195 48 G HA2 -0.210 3.750 3.960 0.000 0.000 0.224 48 G HA3 -0.210 3.750 3.960 0.000 0.000 0.224 48 G C 0.091 174.986 174.900 -0.008 0.000 0.990 48 G CA -0.053 45.044 45.100 -0.005 0.000 0.639 48 G HN 0.533 nan 8.290 nan 0.000 0.514 49 I N 1.972 122.540 120.570 -0.003 0.000 2.389 49 I HA 0.371 4.541 4.170 0.000 0.000 0.288 49 I C -1.152 174.969 176.117 0.007 0.000 0.999 49 I CA -0.727 60.572 61.300 -0.000 0.000 1.129 49 I CB 1.642 39.657 38.000 0.026 0.000 1.288 49 I HN -0.031 nan 8.210 nan 0.000 0.444 50 D N 6.147 126.523 120.400 -0.040 0.000 2.248 50 D HA 0.289 4.929 4.640 0.000 0.000 0.246 50 D C -0.743 175.492 176.300 -0.107 0.000 1.027 50 D CA -0.270 53.702 54.000 -0.047 0.000 0.853 50 D CB 2.620 43.369 40.800 -0.086 0.000 1.243 50 D HN 0.172 nan 8.370 nan 0.000 0.462 51 F N 1.483 121.301 119.950 -0.220 0.000 2.412 51 F HA 0.234 4.761 4.527 0.000 0.000 0.348 51 F C -0.151 175.456 175.800 -0.322 0.000 1.102 51 F CA -0.329 57.447 58.000 -0.373 0.000 1.196 51 F CB 0.884 39.572 39.000 -0.521 0.000 1.144 51 F HN -0.014 nan 8.300 nan 0.000 0.541 52 V N 7.946 127.300 119.914 -0.934 0.000 2.304 52 V HA 0.208 4.328 4.120 0.000 0.000 0.278 52 V C -0.538 175.255 176.094 -0.502 0.000 1.018 52 V CA -0.829 61.118 62.300 -0.588 0.000 0.814 52 V CB 0.905 32.300 31.823 -0.713 0.000 1.021 52 V HN 0.590 nan 8.190 nan 0.000 0.440 53 L N 6.438 127.597 121.223 -0.106 0.000 2.360 53 L HA 0.594 4.934 4.340 0.000 0.000 0.276 53 L C 0.752 177.654 176.870 0.052 0.000 1.121 53 L CA 0.902 55.800 54.840 0.097 0.000 0.845 53 L CB 1.192 43.375 42.059 0.207 0.000 1.143 53 L HN 0.844 nan 8.230 nan 0.000 0.452 54 T N 1.896 116.492 114.554 0.071 0.000 2.937 54 T HA 0.522 4.872 4.350 0.000 0.000 0.283 54 T C 0.981 175.732 174.700 0.086 0.000 1.012 54 T CA -0.813 61.329 62.100 0.070 0.000 0.997 54 T CB 1.252 70.159 68.868 0.065 0.000 1.136 54 T HN 0.529 nan 8.240 nan 0.000 0.551 55 R N -0.280 120.270 120.500 0.083 0.000 2.246 55 R HA 0.217 4.557 4.340 0.000 0.000 0.199 55 R C 0.516 176.902 176.300 0.144 0.000 0.984 55 R CA 0.512 56.667 56.100 0.091 0.000 1.015 55 R CB -0.673 29.667 30.300 0.066 0.000 0.930 55 R HN 0.779 nan 8.270 nan 0.000 0.475 56 H N -0.403 118.699 119.070 0.053 0.000 2.996 56 H HA 0.158 4.714 4.556 0.000 0.000 0.368 56 H C -0.150 175.236 175.328 0.097 0.000 1.185 56 H CA -0.271 55.823 56.048 0.077 0.000 1.160 56 H CB 1.976 31.788 29.762 0.084 0.000 1.820 56 H HN -0.224 nan 8.280 nan 0.000 0.547 57 E N 2.721 122.903 120.200 -0.030 0.000 2.153 57 E HA -0.119 4.231 4.350 0.000 0.000 0.194 57 E C 1.556 178.294 176.600 0.229 0.000 0.988 57 E CA 1.135 57.591 56.400 0.092 0.000 0.811 57 E CB -0.076 29.633 29.700 0.015 0.000 0.746 57 E HN 0.465 nan 8.360 nan 0.000 0.466 58 F N 1.386 121.535 119.950 0.332 0.000 2.126 58 F HA -0.249 4.278 4.527 0.000 0.000 0.299 58 F C 2.001 177.845 175.800 0.074 0.000 1.096 58 F CA 1.768 59.886 58.000 0.196 0.000 1.255 58 F CB -0.693 38.412 39.000 0.174 0.000 0.997 58 F HN -0.081 nan 8.300 nan 0.000 0.479 59 T N 0.861 115.376 114.554 -0.065 0.000 2.720 59 T HA -0.193 4.157 4.350 0.000 0.000 0.268 59 T C 2.236 176.774 174.700 -0.269 0.000 1.037 59 T CA 1.519 63.467 62.100 -0.253 0.000 1.144 59 T CB -0.910 67.920 68.868 -0.063 0.000 0.864 59 T HN 0.409 nan 8.240 nan 0.000 0.444 60 A N 1.444 124.198 122.820 -0.111 0.000 1.877 60 A HA 0.108 4.428 4.320 0.000 0.000 0.216 60 A C 2.665 180.137 177.584 -0.186 0.000 1.186 60 A CA 1.888 53.876 52.037 -0.081 0.000 0.620 60 A CB -1.412 17.624 19.000 0.060 0.000 0.822 60 A HN 0.511 nan 8.150 nan 0.000 0.443 61 G N -0.761 107.955 108.800 -0.140 0.000 2.418 61 G HA2 -0.102 3.858 3.960 0.000 0.000 0.217 61 G HA3 -0.102 3.858 3.960 0.000 0.000 0.217 61 G C 1.494 176.241 174.900 -0.254 0.000 1.158 61 G CA 1.289 46.310 45.100 -0.132 0.000 0.771 61 G HN 0.331 nan 8.290 nan 0.000 0.545 62 V N 1.367 121.033 119.914 -0.414 0.000 2.453 62 V HA -0.032 4.088 4.120 0.000 0.000 0.247 62 V C 3.288 179.084 176.094 -0.496 0.000 1.048 62 V CA 1.731 63.759 62.300 -0.453 0.000 1.049 62 V CB -0.628 30.790 31.823 -0.676 0.000 0.672 62 V HN 0.468 nan 8.190 nan 0.000 0.457 63 A N 0.290 122.740 122.820 -0.618 0.000 1.908 63 A HA -0.180 4.140 4.320 0.000 0.000 0.218 63 A C 2.429 179.486 177.584 -0.878 0.000 1.181 63 A CA 2.260 53.804 52.037 -0.821 0.000 0.627 63 A CB -0.792 17.513 19.000 -1.158 0.000 0.818 63 A HN 0.566 nan 8.150 nan 0.000 0.445 64 A N -0.068 122.281 122.820 -0.785 0.000 1.902 64 A HA -0.215 4.105 4.320 0.000 0.000 0.217 64 A C 1.966 179.423 177.584 -0.212 0.000 1.181 64 A CA 1.873 53.687 52.037 -0.372 0.000 0.623 64 A CB -0.644 18.293 19.000 -0.106 0.000 0.818 64 A HN 0.678 nan 8.150 nan 0.000 0.443 65 D N 0.039 120.311 120.400 -0.213 0.000 2.104 65 D HA -0.142 4.499 4.640 0.000 0.000 0.194 65 D C 1.885 178.087 176.300 -0.163 0.000 0.994 65 D CA 2.031 55.946 54.000 -0.142 0.000 0.830 65 D CB -0.055 40.681 40.800 -0.106 0.000 0.959 65 D HN 0.223 nan 8.370 nan 0.000 0.452 66 V N 0.986 120.767 119.914 -0.223 0.000 2.379 66 V HA -0.185 3.935 4.120 0.000 0.000 0.245 66 V C 2.643 178.627 176.094 -0.184 0.000 1.044 66 V CA 1.023 63.190 62.300 -0.221 0.000 1.036 66 V CB -0.476 31.186 31.823 -0.267 0.000 0.664 66 V HN 0.206 nan 8.190 nan 0.000 0.453 67 L N 1.000 122.118 121.223 -0.174 0.000 2.046 67 L HA -0.098 4.242 4.340 0.000 0.000 0.208 67 L C 2.438 179.280 176.870 -0.047 0.000 1.077 67 L CA 2.357 57.149 54.840 -0.080 0.000 0.747 67 L CB -0.873 41.176 42.059 -0.016 0.000 0.896 67 L HN 0.231 nan 8.230 nan 0.000 0.432 68 A N -0.515 122.269 122.820 -0.060 0.000 1.898 68 A HA -0.237 4.083 4.320 0.000 0.000 0.216 68 A C 2.511 180.062 177.584 -0.055 0.000 1.181 68 A CA 1.695 53.711 52.037 -0.036 0.000 0.620 68 A CB -0.619 18.362 19.000 -0.033 0.000 0.819 68 A HN 0.511 nan 8.150 nan 0.000 0.442 69 R N -0.192 120.232 120.500 -0.127 0.000 2.070 69 R HA -0.097 4.243 4.340 0.000 0.000 0.233 69 R C 1.908 178.118 176.300 -0.150 0.000 1.137 69 R CA 2.038 58.005 56.100 -0.222 0.000 0.945 69 R CB -0.405 29.628 30.300 -0.444 0.000 0.845 69 R HN 0.533 nan 8.270 nan 0.000 0.430 70 I N 0.319 120.821 120.570 -0.114 0.000 2.286 70 I HA -0.207 3.963 4.170 0.000 0.000 0.245 70 I C 2.410 178.578 176.117 0.085 0.000 1.104 70 I CA 1.663 62.987 61.300 0.040 0.000 1.397 70 I CB -0.421 37.593 38.000 0.023 0.000 1.072 70 I HN 0.421 nan 8.210 nan 0.000 0.417 71 T N -1.652 112.927 114.554 0.043 0.000 2.951 71 T HA 0.062 4.412 4.350 0.000 0.000 0.268 71 T C 1.733 176.469 174.700 0.059 0.000 1.073 71 T CA 0.695 62.826 62.100 0.051 0.000 1.134 71 T CB -0.307 68.585 68.868 0.040 0.000 0.884 71 T HN 0.533 nan 8.240 nan 0.000 0.479 72 G N 1.720 110.555 108.800 0.057 0.000 2.168 72 G HA2 -0.264 3.696 3.960 0.000 0.000 0.257 72 G HA3 -0.264 3.696 3.960 0.000 0.000 0.257 72 G C 0.059 174.985 174.900 0.042 0.000 0.997 72 G CA 0.183 45.319 45.100 0.059 0.000 0.708 72 G HN 0.732 nan 8.290 nan 0.000 0.520 73 R N -0.135 120.387 120.500 0.036 0.000 2.711 73 R HA 0.490 4.830 4.340 0.000 0.000 0.284 73 R C -2.753 173.565 176.300 0.030 0.000 0.968 73 R CA -2.218 53.905 56.100 0.038 0.000 0.924 73 R CB 1.657 31.985 30.300 0.045 0.000 1.162 73 R HN -0.006 nan 8.270 nan 0.000 0.465 74 P HA -0.037 nan 4.420 nan 0.000 0.265 74 P C -0.788 176.534 177.300 0.037 0.000 1.193 74 P CA 0.222 63.330 63.100 0.014 0.000 0.765 74 P CB 0.673 32.363 31.700 -0.017 0.000 0.823 75 Q N 0.975 120.800 119.800 0.043 0.000 2.495 75 Q HA 0.827 5.167 4.340 0.000 0.000 0.283 75 Q C -0.843 175.216 176.000 0.099 0.000 1.097 75 Q CA -0.950 54.902 55.803 0.082 0.000 0.836 75 Q CB 2.456 31.249 28.738 0.092 0.000 1.426 75 Q HN 0.429 nan 8.270 nan 0.000 0.459 76 A N 0.276 123.187 122.820 0.152 0.000 2.414 76 A HA 0.782 5.102 4.320 0.000 0.000 0.306 76 A C -0.449 177.269 177.584 0.223 0.000 1.054 76 A CA -0.551 51.587 52.037 0.169 0.000 0.724 76 A CB 0.743 19.845 19.000 0.170 0.000 1.267 76 A HN 0.832 nan 8.150 nan 0.000 0.418 77 C N -0.085 119.343 119.300 0.213 0.000 2.848 77 C HA 0.972 5.432 4.460 0.000 0.000 0.317 77 C C -0.929 174.254 174.990 0.322 0.000 1.260 77 C CA -0.970 58.188 59.018 0.233 0.000 1.656 77 C CB 1.405 29.233 27.740 0.148 0.000 2.174 77 C HN 1.036 nan 8.230 nan 0.000 0.479 78 W N 1.175 122.548 121.300 0.123 0.000 3.129 78 W HA 0.644 5.304 4.660 0.000 0.000 0.333 78 W C -1.049 175.580 176.519 0.182 0.000 1.141 78 W CA -0.076 57.385 57.345 0.193 0.000 1.224 78 W CB 2.186 31.825 29.460 0.299 0.000 1.393 78 W HN 1.295 nan 8.180 nan 0.000 0.499 79 A N 2.647 125.368 122.820 -0.166 0.000 2.566 79 A HA 0.636 4.956 4.320 0.000 0.000 0.292 79 A C -0.699 176.812 177.584 -0.121 0.000 1.112 79 A CA -0.436 51.606 52.037 0.009 0.000 0.707 79 A CB 1.838 20.853 19.000 0.025 0.000 1.302 79 A HN 0.450 nan 8.150 nan 0.000 0.409 80 T N 0.060 114.650 114.554 0.060 0.000 2.771 80 T HA 0.497 4.847 4.350 0.000 0.000 0.290 80 T C 0.672 175.369 174.700 -0.006 0.000 1.005 80 T CA 0.021 62.156 62.100 0.059 0.000 0.944 80 T CB -0.130 68.801 68.868 0.105 0.000 1.147 80 T HN 1.056 nan 8.240 nan 0.000 0.534 81 L N 0.121 121.343 121.223 -0.001 0.000 2.474 81 L HA 0.583 4.923 4.340 0.000 0.000 0.259 81 L C 1.387 178.240 176.870 -0.028 0.000 1.232 81 L CA -0.158 54.671 54.840 -0.018 0.000 0.821 81 L CB -0.935 41.112 42.059 -0.021 0.000 1.108 81 L HN 0.905 nan 8.230 nan 0.000 0.495 82 G N 1.289 110.069 108.800 -0.034 0.000 2.646 82 G HA2 -0.336 3.624 3.960 0.000 0.000 0.324 82 G HA3 -0.336 3.624 3.960 0.000 0.000 0.324 82 G C -0.958 173.917 174.900 -0.041 0.000 1.195 82 G CA 0.447 45.517 45.100 -0.049 0.000 0.976 82 G HN 0.804 nan 8.290 nan 0.000 0.546 83 P HA 0.115 nan 4.420 nan 0.000 0.223 83 P C 1.495 178.773 177.300 -0.036 0.000 1.151 83 P CA 1.844 64.922 63.100 -0.036 0.000 0.787 83 P CB -0.556 31.123 31.700 -0.035 0.000 0.788 87 N N 1.708 120.415 118.700 0.011 0.000 2.084 87 N HA 0.123 4.863 4.740 0.000 0.000 0.190 87 N C 1.697 177.283 175.510 0.127 0.000 1.030 87 N CA 1.481 54.570 53.050 0.065 0.000 0.849 87 N CB -0.564 37.861 38.487 -0.104 0.000 1.012 87 N HN 0.332 nan 8.380 nan 0.000 0.423 88 L N 1.192 122.457 121.223 0.069 0.000 2.131 88 L HA -0.121 4.219 4.340 0.000 0.000 0.210 88 L C 2.164 179.081 176.870 0.078 0.000 1.092 88 L CA 1.326 56.220 54.840 0.089 0.000 0.759 88 L CB -0.809 41.286 42.059 0.061 0.000 0.903 88 L HN 0.251 nan 8.230 nan 0.000 0.435 89 S N -2.757 112.956 115.700 0.022 0.000 2.419 89 S HA -0.199 4.271 4.470 0.000 0.000 0.235 89 S C 1.805 176.436 174.600 0.052 0.000 1.019 89 S CA 1.576 59.766 58.200 -0.017 0.000 0.982 89 S CB -1.033 62.120 63.200 -0.077 0.000 0.789 89 S HN 0.533 nan 8.310 nan 0.000 0.490 90 T N 1.481 116.114 114.554 0.131 0.000 2.867 90 T HA 0.095 4.445 4.350 0.000 0.000 0.268 90 T C 1.961 176.862 174.700 0.335 0.000 1.057 90 T CA 1.207 63.428 62.100 0.202 0.000 1.136 90 T CB -0.891 68.067 68.868 0.151 0.000 0.874 90 T HN 0.645 nan 8.240 nan 0.000 0.466 91 G N 1.204 110.194 108.800 0.317 0.000 2.403 91 G HA2 -0.063 3.897 3.960 0.000 0.000 0.216 91 G HA3 -0.063 3.897 3.960 0.000 0.000 0.216 91 G C 1.500 176.444 174.900 0.075 0.000 1.154 91 G CA 0.208 45.393 45.100 0.141 0.000 0.784 91 G HN 0.477 nan 8.290 nan 0.000 0.538 92 I N 1.322 121.929 120.570 0.063 0.000 2.286 92 I HA -0.150 4.020 4.170 0.000 0.000 0.248 92 I C 3.233 179.366 176.117 0.027 0.000 1.115 92 I CA 0.911 62.228 61.300 0.028 0.000 1.392 92 I CB -0.120 37.869 38.000 -0.018 0.000 1.065 92 I HN 0.238 nan 8.210 nan 0.000 0.418 93 A N 0.273 123.117 122.820 0.040 0.000 1.930 93 A HA -0.176 4.144 4.320 0.000 0.000 0.217 93 A C 2.369 179.979 177.584 0.044 0.000 1.175 93 A CA 2.222 54.278 52.037 0.032 0.000 0.627 93 A CB -0.976 18.043 19.000 0.031 0.000 0.815 93 A HN 0.357 nan 8.150 nan 0.000 0.443 94 T N -0.479 114.126 114.554 0.085 0.000 2.652 94 T HA -0.166 4.184 4.350 0.000 0.000 0.267 94 T C 2.300 177.021 174.700 0.035 0.000 1.039 94 T CA 1.880 64.031 62.100 0.084 0.000 1.153 94 T CB -0.396 68.563 68.868 0.152 0.000 0.863 94 T HN 0.552 nan 8.240 nan 0.000 0.428 95 S N 0.151 115.866 115.700 0.025 0.000 2.370 95 S HA -0.105 4.365 4.470 0.000 0.000 0.226 95 S C 2.174 176.776 174.600 0.003 0.000 1.033 95 S CA 1.324 59.527 58.200 0.006 0.000 1.011 95 S CB -0.605 62.599 63.200 0.007 0.000 0.852 95 S HN 0.274 nan 8.310 nan 0.000 0.457 96 V N 0.957 120.876 119.914 0.008 0.000 2.358 96 V HA -0.004 4.116 4.120 0.000 0.000 0.246 96 V C 2.168 178.258 176.094 -0.005 0.000 1.047 96 V CA 1.860 64.162 62.300 0.004 0.000 1.035 96 V CB -0.292 31.534 31.823 0.005 0.000 0.658 96 V HN 0.556 nan 8.190 nan 0.000 0.452 97 L N -0.615 120.601 121.223 -0.011 0.000 2.209 97 L HA 0.024 4.364 4.340 0.000 0.000 0.207 97 L C 1.957 178.803 176.870 -0.040 0.000 1.094 97 L CA 1.142 55.965 54.840 -0.027 0.000 0.790 97 L CB -0.327 41.712 42.059 -0.033 0.000 0.932 97 L HN 0.294 nan 8.230 nan 0.000 0.447 98 D N -0.072 120.307 120.400 -0.035 0.000 2.348 98 D HA 0.013 4.653 4.640 0.000 0.000 0.211 98 D C -0.166 176.111 176.300 -0.039 0.000 0.998 98 D CA 0.171 54.143 54.000 -0.047 0.000 0.873 98 D CB 0.264 41.036 40.800 -0.047 0.000 0.925 98 D HN -0.027 nan 8.370 nan 0.000 0.524 99 R N 0.357 120.841 120.500 -0.026 0.000 2.650 99 R HA -0.096 4.244 4.340 0.000 0.000 0.315 99 R C -0.679 175.607 176.300 -0.025 0.000 0.986 99 R CA 0.184 56.273 56.100 -0.018 0.000 0.744 99 R CB -3.130 27.163 30.300 -0.012 0.000 2.072 99 R HN 0.320 nan 8.270 nan 0.000 0.477 100 S N 0.028 115.715 115.700 -0.022 0.000 2.536 100 S HA 0.738 5.208 4.470 0.000 0.000 0.271 100 S C -2.829 171.763 174.600 -0.014 0.000 1.134 100 S CA -1.625 56.557 58.200 -0.029 0.000 0.897 100 S CB 3.587 66.755 63.200 -0.053 0.000 1.094 100 S HN 0.151 nan 8.310 nan 0.000 0.473 101 P HA 0.308 nan 4.420 nan 0.000 0.260 101 P C -0.818 176.482 177.300 -0.001 0.000 1.651 101 P CA -0.210 62.886 63.100 -0.007 0.000 1.139 101 P CB 0.207 31.901 31.700 -0.009 0.000 1.756 102 V N 5.276 125.197 119.914 0.010 0.000 2.435 102 V HA 0.307 4.427 4.120 0.000 0.000 0.290 102 V C 0.531 176.654 176.094 0.048 0.000 1.030 102 V CA -0.767 61.549 62.300 0.026 0.000 0.881 102 V CB 2.066 33.901 31.823 0.021 0.000 0.983 102 V HN 0.276 nan 8.190 nan 0.000 0.445 103 I N 4.314 124.919 120.570 0.058 0.000 2.291 103 I HA 0.489 4.659 4.170 0.000 0.000 0.290 103 I C 0.590 176.775 176.117 0.113 0.000 1.050 103 I CA -0.345 60.998 61.300 0.073 0.000 1.245 103 I CB 0.831 38.859 38.000 0.046 0.000 1.405 103 I HN 0.669 nan 8.210 nan 0.000 0.478 104 A N 8.310 131.218 122.820 0.146 0.000 2.274 104 A HA 0.795 5.115 4.320 0.000 0.000 0.309 104 A C -0.391 177.264 177.584 0.119 0.000 1.226 104 A CA -0.429 51.722 52.037 0.190 0.000 0.853 104 A CB 0.557 19.721 19.000 0.274 0.000 1.146 104 A HN 0.684 nan 8.150 nan 0.000 0.518 105 L N 2.113 123.344 121.223 0.013 0.000 2.362 105 L HA 0.779 5.119 4.340 0.000 0.000 0.275 105 L C 0.163 176.738 176.870 -0.491 0.000 0.998 105 L CA -0.365 54.310 54.840 -0.275 0.000 0.820 105 L CB 2.085 44.041 42.059 -0.172 0.000 1.270 105 L HN 0.777 nan 8.230 nan 0.000 0.415 106 A N 2.147 124.652 122.820 -0.525 0.000 2.449 106 A HA 0.893 5.213 4.320 0.000 0.000 0.302 106 A C -0.356 176.980 177.584 -0.414 0.000 1.048 106 A CA -0.450 51.333 52.037 -0.422 0.000 0.708 106 A CB 1.603 20.638 19.000 0.057 0.000 1.274 106 A HN 0.768 nan 8.150 nan 0.000 0.410 107 A N 0.812 123.426 122.820 -0.345 0.000 2.386 107 A HA 0.583 4.903 4.320 0.000 0.000 0.246 107 A C 0.162 177.696 177.584 -0.082 0.000 1.089 107 A CA 0.300 52.249 52.037 -0.147 0.000 0.790 107 A CB 0.427 19.428 19.000 0.001 0.000 1.042 107 A HN 1.148 nan 8.150 nan 0.000 0.497 108 Q N -0.251 119.514 119.800 -0.059 0.000 2.456 108 Q HA 0.521 4.861 4.340 0.000 0.000 0.284 108 Q C -0.488 175.484 176.000 -0.047 0.000 1.061 108 Q CA -0.323 55.451 55.803 -0.049 0.000 0.799 108 Q CB 1.703 30.403 28.738 -0.063 0.000 1.445 108 Q HN 0.752 nan 8.270 nan 0.000 0.411 109 S N 1.677 117.345 115.700 -0.053 0.000 2.559 109 S HA 0.043 4.513 4.470 0.000 0.000 0.282 109 S C -0.542 173.989 174.600 -0.115 0.000 1.336 109 S CA -0.100 58.061 58.200 -0.064 0.000 1.037 109 S CB 0.039 63.201 63.200 -0.063 0.000 0.853 109 S HN 0.554 nan 8.310 nan 0.000 0.523 110 E N 1.686 121.797 120.200 -0.148 0.000 2.568 110 E HA -0.038 4.312 4.350 0.000 0.000 0.262 110 E C 1.375 177.759 176.600 -0.359 0.000 0.961 110 E CA 0.564 56.811 56.400 -0.255 0.000 0.945 110 E CB 0.278 29.756 29.700 -0.370 0.000 0.924 110 E HN 0.642 nan 8.360 nan 0.000 0.467 111 S N 3.409 118.958 115.700 -0.252 0.000 2.374 111 S HA -0.306 4.164 4.470 0.000 0.000 0.227 111 S C 1.629 176.102 174.600 -0.210 0.000 1.037 111 S CA 1.772 59.867 58.200 -0.175 0.000 1.024 111 S CB -0.603 62.561 63.200 -0.060 0.000 0.861 111 S HN 0.780 nan 8.310 nan 0.000 0.456 112 H N -0.457 118.567 119.070 -0.076 0.000 2.555 112 H HA 0.238 4.794 4.556 0.000 0.000 0.269 112 H C 0.449 175.706 175.328 -0.118 0.000 0.988 112 H CA 1.060 57.061 56.048 -0.080 0.000 1.178 112 H CB -0.302 29.452 29.762 -0.013 0.000 1.373 112 H HN 0.470 nan 8.280 nan 0.000 0.588 113 D N 0.766 120.924 120.400 -0.403 0.000 2.501 113 D HA 0.200 4.840 4.640 0.000 0.000 0.224 113 D C -0.082 176.018 176.300 -0.332 0.000 1.202 113 D CA -0.319 53.558 54.000 -0.205 0.000 0.829 113 D CB -0.102 40.626 40.800 -0.120 0.000 1.023 113 D HN 0.285 nan 8.370 nan 0.000 0.499 114 I N 1.578 121.825 120.570 -0.537 0.000 2.329 114 I HA 0.129 4.299 4.170 0.000 0.000 0.295 114 I C -0.584 175.133 176.117 -0.666 0.000 1.109 114 I CA 0.041 61.085 61.300 -0.427 0.000 1.297 114 I CB -0.055 37.772 38.000 -0.289 0.000 1.433 114 I HN -0.104 nan 8.210 nan 0.000 0.509 115 F N 7.307 127.252 119.950 -0.009 0.000 2.676 115 F HA 0.390 4.917 4.527 0.000 0.000 0.371 115 F C -2.293 173.505 175.800 -0.003 0.000 1.141 115 F CA -2.748 55.252 58.000 -0.000 0.000 1.133 115 F CB 0.791 39.795 39.000 0.008 0.000 1.376 115 F HN 0.239 nan 8.300 nan 0.000 0.491 116 P HA 0.081 nan 4.420 nan 0.000 0.264 116 P C 0.074 177.417 177.300 0.071 0.000 1.193 116 P CA 0.623 63.759 63.100 0.060 0.000 0.763 116 P CB 0.417 32.135 31.700 0.029 0.000 0.810 117 N N 1.074 119.803 118.700 0.048 0.000 2.878 117 N HA -0.162 4.579 4.740 0.000 0.000 0.247 117 N C 0.152 175.692 175.510 0.051 0.000 1.021 117 N CA 1.271 54.344 53.050 0.038 0.000 0.873 117 N CB -1.462 37.041 38.487 0.027 0.000 1.128 117 N HN 0.524 nan 8.380 nan 0.000 0.571 118 D N -0.957 119.492 120.400 0.082 0.000 2.871 118 D HA 0.068 4.708 4.640 0.000 0.000 0.291 118 D C 0.117 176.479 176.300 0.103 0.000 1.150 118 D CA 0.586 54.632 54.000 0.077 0.000 0.999 118 D CB 0.015 40.850 40.800 0.058 0.000 1.452 118 D HN 0.016 nan 8.370 nan 0.000 0.465 119 T N 1.307 115.959 114.554 0.163 0.000 2.916 119 T HA 0.002 4.352 4.350 0.000 0.000 0.303 119 T C 0.189 174.969 174.700 0.133 0.000 1.025 119 T CA 0.075 62.278 62.100 0.172 0.000 1.142 119 T CB 0.392 69.379 68.868 0.199 0.000 0.947 119 T HN 0.097 nan 8.240 nan 0.000 0.544 120 H N 3.269 122.370 119.070 0.052 0.000 3.214 120 H HA -0.076 4.480 4.556 0.000 0.000 0.291 120 H C 1.094 176.441 175.328 0.031 0.000 0.926 120 H CA 1.217 57.286 56.048 0.036 0.000 1.409 120 H CB -0.130 29.651 29.762 0.032 0.000 1.406 120 H HN 0.807 nan 8.280 nan 0.000 0.561 121 Q N 1.147 120.710 119.800 -0.395 0.000 2.406 121 Q HA -0.277 4.063 4.340 0.000 0.000 0.236 121 Q C -0.341 175.585 176.000 -0.123 0.000 0.799 121 Q CA 1.010 56.629 55.803 -0.308 0.000 1.286 121 Q CB -1.873 26.624 28.738 -0.402 0.000 1.615 121 Q HN 0.608 nan 8.270 nan 0.000 0.621 122 C N 1.415 120.680 119.300 -0.058 0.000 2.246 122 C HA 0.641 5.102 4.460 0.000 0.000 0.329 122 C C 0.198 175.180 174.990 -0.013 0.000 1.221 122 C CA -0.451 58.554 59.018 -0.021 0.000 1.697 122 C CB -0.475 27.273 27.740 0.015 0.000 2.312 122 C HN 0.336 nan 8.230 nan 0.000 0.509 123 L N 4.484 125.695 121.223 -0.020 0.000 2.323 123 L HA 0.444 4.784 4.340 0.000 0.000 0.265 123 L C -0.047 176.816 176.870 -0.011 0.000 1.012 123 L CA -0.535 54.295 54.840 -0.016 0.000 0.820 123 L CB 1.358 43.401 42.059 -0.026 0.000 1.334 123 L HN 0.473 nan 8.230 nan 0.000 0.427 124 D N 0.407 120.800 120.400 -0.011 0.000 2.551 124 D HA 0.080 4.721 4.640 0.000 0.000 0.223 124 D C 0.874 177.167 176.300 -0.011 0.000 1.144 124 D CA 0.188 54.182 54.000 -0.009 0.000 1.025 124 D CB 0.701 41.495 40.800 -0.010 0.000 1.085 124 D HN 0.444 nan 8.370 nan 0.000 0.506 125 S N 0.989 116.699 115.700 0.017 0.000 2.370 125 S HA -0.138 4.332 4.470 0.000 0.000 0.226 125 S C 2.154 176.766 174.600 0.020 0.000 1.033 125 S CA 0.673 58.889 58.200 0.026 0.000 1.011 125 S CB 0.078 63.399 63.200 0.201 0.000 0.852 125 S HN 0.431 nan 8.310 nan 0.000 0.457 126 V N 1.947 121.931 119.914 0.117 0.000 2.358 126 V HA -0.172 3.948 4.120 0.000 0.000 0.246 126 V C 2.652 178.742 176.094 -0.006 0.000 1.047 126 V CA 1.637 63.999 62.300 0.104 0.000 1.035 126 V CB -1.206 30.658 31.823 0.068 0.000 0.658 126 V HN 0.550 nan 8.190 nan 0.000 0.452 127 A N -0.172 122.636 122.820 -0.020 0.000 1.930 127 A HA -0.141 4.179 4.320 0.000 0.000 0.217 127 A C 2.156 179.705 177.584 -0.059 0.000 1.175 127 A CA 1.749 53.765 52.037 -0.035 0.000 0.627 127 A CB -0.504 18.481 19.000 -0.026 0.000 0.815 127 A HN 0.517 nan 8.150 nan 0.000 0.443 128 I N -0.751 119.769 120.570 -0.083 0.000 2.315 128 I HA -0.155 4.015 4.170 0.000 0.000 0.248 128 I C 1.981 178.004 176.117 -0.157 0.000 1.117 128 I CA 0.934 62.168 61.300 -0.110 0.000 1.404 128 I CB 0.017 37.946 38.000 -0.118 0.000 1.071 128 I HN 0.146 nan 8.210 nan 0.000 0.419 129 V N 0.249 120.024 119.914 -0.232 0.000 3.307 129 V HA 0.077 4.197 4.120 0.000 0.000 0.253 129 V C 2.517 178.517 176.094 -0.157 0.000 1.149 129 V CA 1.034 63.151 62.300 -0.306 0.000 1.112 129 V CB -0.222 31.145 31.823 -0.760 0.000 0.777 129 V HN 0.380 nan 8.190 nan 0.000 0.464 130 A N 0.881 123.646 122.820 -0.093 0.000 1.903 130 A HA -0.097 4.223 4.320 0.000 0.000 0.219 130 A C -0.376 177.186 177.584 -0.036 0.000 1.191 130 A CA 1.509 53.519 52.037 -0.044 0.000 0.638 130 A CB -1.715 17.263 19.000 -0.037 0.000 0.823 130 A HN 0.530 nan 8.150 nan 0.000 0.451 134 K N -0.276 120.181 120.400 0.094 0.000 2.305 134 K HA 0.248 4.568 4.320 0.000 0.000 0.199 134 K C -0.274 176.443 176.600 0.196 0.000 1.047 134 K CA 1.023 57.376 56.287 0.111 0.000 0.976 134 K CB -0.400 32.154 32.500 0.091 0.000 0.765 134 K HN 0.712 nan 8.250 nan 0.000 0.474 135 Y N -0.968 119.355 120.300 0.038 0.000 2.457 135 Y HA 0.404 4.954 4.550 0.000 0.000 0.322 135 Y C -2.136 173.816 175.900 0.087 0.000 1.218 135 Y CA -1.106 57.020 58.100 0.043 0.000 1.116 135 Y CB 1.235 39.709 38.460 0.023 0.000 1.335 135 Y HN -0.063 nan 8.280 nan 0.000 0.452 136 A N 4.964 127.560 122.820 -0.374 0.000 2.456 136 A HA 0.763 5.083 4.320 0.000 0.000 0.288 136 A C -2.233 175.142 177.584 -0.348 0.000 1.042 136 A CA -0.348 51.598 52.037 -0.152 0.000 0.738 136 A CB 1.381 20.427 19.000 0.077 0.000 1.266 136 A HN 1.267 nan 8.150 nan 0.000 0.407 137 V N 1.600 121.328 119.914 -0.310 0.000 3.087 137 V HA 0.691 4.812 4.120 0.000 0.000 0.306 137 V C -1.068 174.905 176.094 -0.202 0.000 1.187 137 V CA -0.491 61.638 62.300 -0.285 0.000 0.999 137 V CB 2.041 33.651 31.823 -0.356 0.000 1.049 137 V HN 1.006 nan 8.190 nan 0.000 0.431 138 E N 3.808 123.922 120.200 -0.143 0.000 2.158 138 E HA 0.427 4.777 4.350 0.000 0.000 0.271 138 E C -1.113 175.422 176.600 -0.108 0.000 0.911 138 E CA -0.869 55.452 56.400 -0.132 0.000 0.767 138 E CB 1.808 31.453 29.700 -0.091 0.000 1.120 138 E HN 0.684 nan 8.360 nan 0.000 0.405 139 L N 4.297 125.453 121.223 -0.111 0.000 2.540 139 L HA -0.048 4.292 4.340 0.000 0.000 0.276 139 L C 0.429 177.260 176.870 -0.065 0.000 1.212 139 L CA 1.268 56.060 54.840 -0.081 0.000 0.893 139 L CB 0.509 42.524 42.059 -0.073 0.000 1.138 139 L HN 0.767 nan 8.230 nan 0.000 0.491 140 Q N 3.546 123.313 119.800 -0.056 0.000 2.384 140 Q HA 0.297 4.637 4.340 0.000 0.000 0.264 140 Q C -0.187 175.799 176.000 -0.022 0.000 0.825 140 Q CA 0.010 55.790 55.803 -0.039 0.000 0.984 140 Q CB 0.897 29.613 28.738 -0.036 0.000 1.183 140 Q HN 0.582 nan 8.270 nan 0.000 0.537 141 R N 0.746 121.222 120.500 -0.040 0.000 2.451 141 R HA 0.245 4.585 4.340 0.000 0.000 0.307 141 R C -2.243 174.027 176.300 -0.050 0.000 0.965 141 R CA -1.797 54.294 56.100 -0.016 0.000 0.865 141 R CB 1.516 31.814 30.300 -0.003 0.000 1.174 141 R HN -0.114 nan 8.270 nan 0.000 0.455 142 P HA -0.291 nan 4.420 nan 0.000 0.217 142 P C 0.978 178.293 177.300 0.024 0.000 1.158 142 P CA 1.458 64.577 63.100 0.030 0.000 0.887 142 P CB 0.017 31.758 31.700 0.067 0.000 0.792 143 H N -0.338 118.744 119.070 0.021 0.000 2.491 143 H HA 0.011 4.567 4.556 0.000 0.000 0.290 143 H C 1.162 176.506 175.328 0.027 0.000 1.050 143 H CA 1.061 57.124 56.048 0.025 0.000 1.309 143 H CB -0.701 29.073 29.762 0.020 0.000 1.392 143 H HN 0.242 nan 8.280 nan 0.000 0.554 144 E N 0.298 120.149 120.200 -0.582 0.000 2.418 144 E HA -0.044 4.306 4.350 0.000 0.000 0.197 144 E C 1.844 178.366 176.600 -0.130 0.000 1.026 144 E CA 0.213 56.385 56.400 -0.380 0.000 0.862 144 E CB -0.013 29.471 29.700 -0.360 0.000 0.799 144 E HN 0.288 nan 8.360 nan 0.000 0.518 145 I N 1.322 121.846 120.570 -0.076 0.000 2.315 145 I HA -0.287 3.883 4.170 0.000 0.000 0.251 145 I C 1.936 178.060 176.117 0.012 0.000 1.125 145 I CA 1.611 62.901 61.300 -0.016 0.000 1.392 145 I CB -0.356 37.649 38.000 0.009 0.000 1.065 145 I HN -0.002 nan 8.210 nan 0.000 0.424 146 T N 0.604 115.170 114.554 0.020 0.000 2.708 146 T HA -0.197 4.153 4.350 0.000 0.000 0.266 146 T C 1.424 176.149 174.700 0.041 0.000 1.037 146 T CA 1.794 63.921 62.100 0.044 0.000 1.146 146 T CB -0.563 68.338 68.868 0.055 0.000 0.865 146 T HN 0.694 nan 8.240 nan 0.000 0.435 147 D N 1.204 121.616 120.400 0.020 0.000 2.183 147 D HA -0.037 4.603 4.640 0.000 0.000 0.203 147 D C 2.002 178.309 176.300 0.012 0.000 0.969 147 D CA 0.666 54.678 54.000 0.019 0.000 0.842 147 D CB -0.679 40.129 40.800 0.014 0.000 0.957 147 D HN 0.329 nan 8.370 nan 0.000 0.484 148 L N 0.299 121.535 121.223 0.022 0.000 2.056 148 L HA -0.110 4.230 4.340 0.000 0.000 0.207 148 L C 2.564 179.440 176.870 0.010 0.000 1.078 148 L CA 0.655 55.533 54.840 0.064 0.000 0.749 148 L CB -0.447 41.654 42.059 0.069 0.000 0.901 148 L HN 0.064 nan 8.230 nan 0.000 0.433 149 V N 0.051 119.969 119.914 0.007 0.000 2.287 149 V HA -0.315 3.805 4.120 0.000 0.000 0.248 149 V C 2.173 178.205 176.094 -0.103 0.000 1.053 149 V CA 2.029 64.316 62.300 -0.023 0.000 1.027 149 V CB -0.547 31.304 31.823 0.046 0.000 0.646 149 V HN 0.433 nan 8.190 nan 0.000 0.447 150 D N 0.027 120.416 120.400 -0.018 0.000 2.104 150 D HA -0.131 4.510 4.640 0.000 0.000 0.194 150 D C 2.452 178.655 176.300 -0.161 0.000 0.994 150 D CA 1.782 55.775 54.000 -0.013 0.000 0.830 150 D CB -0.342 40.503 40.800 0.075 0.000 0.959 150 D HN 0.377 nan 8.370 nan 0.000 0.452 151 S N 0.251 115.818 115.700 -0.221 0.000 2.382 151 S HA -0.102 4.368 4.470 0.000 0.000 0.228 151 S C 2.058 176.169 174.600 -0.815 0.000 1.027 151 S CA 0.972 58.913 58.200 -0.433 0.000 0.991 151 S CB -0.173 62.801 63.200 -0.376 0.000 0.823 151 S HN 0.368 nan 8.310 nan 0.000 0.469 152 A N 1.213 123.577 122.820 -0.760 0.000 1.877 152 A HA -0.056 4.264 4.320 0.000 0.000 0.216 152 A C 2.336 179.724 177.584 -0.326 0.000 1.186 152 A CA 1.566 53.266 52.037 -0.563 0.000 0.620 152 A CB -0.956 17.944 19.000 -0.167 0.000 0.822 152 A HN 0.339 nan 8.150 nan 0.000 0.443 153 V N 0.987 120.712 119.914 -0.316 0.000 2.295 153 V HA -0.280 3.840 4.120 0.000 0.000 0.246 153 V C 2.359 178.334 176.094 -0.198 0.000 1.049 153 V CA 2.172 64.297 62.300 -0.290 0.000 1.024 153 V CB -1.062 30.437 31.823 -0.541 0.000 0.648 153 V HN 0.545 nan 8.190 nan 0.000 0.447 154 N N 0.656 119.237 118.700 -0.199 0.000 2.061 154 N HA -0.174 4.566 4.740 0.000 0.000 0.193 154 N C 1.831 177.273 175.510 -0.112 0.000 1.030 154 N CA 1.952 54.924 53.050 -0.130 0.000 0.856 154 N CB -0.547 37.864 38.487 -0.128 0.000 1.023 154 N HN 0.516 nan 8.380 nan 0.000 0.424 155 A N 0.683 123.408 122.820 -0.158 0.000 1.929 155 A HA 0.320 4.640 4.320 0.000 0.000 0.216 155 A C 1.400 178.962 177.584 -0.036 0.000 1.176 155 A CA 0.914 52.905 52.037 -0.076 0.000 0.628 155 A CB -0.670 18.300 19.000 -0.051 0.000 0.816 155 A HN 0.370 nan 8.150 nan 0.000 0.444 159 E N 3.399 123.595 120.200 -0.006 0.000 2.384 159 E HA 0.227 4.577 4.350 0.000 0.000 0.266 159 E C -2.183 174.416 176.600 -0.001 0.000 1.012 159 E CA -1.567 54.830 56.400 -0.005 0.000 0.901 159 E CB 0.461 30.154 29.700 -0.012 0.000 0.967 159 E HN 0.278 nan 8.360 nan 0.000 0.435 160 P HA 0.027 nan 4.420 nan 0.000 0.282 160 P C 0.020 177.322 177.300 0.004 0.000 1.262 160 P CA -0.406 62.695 63.100 0.002 0.000 0.773 160 P CB 0.604 32.306 31.700 0.004 0.000 0.879 161 V N 1.487 121.403 119.914 0.003 0.000 2.872 161 V HA 0.685 4.805 4.120 0.000 0.000 0.307 161 V C 0.554 176.651 176.094 0.004 0.000 1.072 161 V CA 0.496 62.797 62.300 0.003 0.000 1.148 161 V CB -0.086 31.738 31.823 0.003 0.000 0.954 161 V HN 0.885 nan 8.190 nan 0.000 0.490 162 G N 3.364 112.169 108.800 0.008 0.000 2.488 162 G HA2 0.652 4.612 3.960 0.000 0.000 0.301 162 G HA3 0.652 4.612 3.960 0.000 0.000 0.301 162 G C -3.486 171.430 174.900 0.026 0.000 1.339 162 G CA -0.654 44.455 45.100 0.015 0.000 0.803 162 G HN 0.734 nan 8.290 nan 0.000 0.482 163 P HA 0.510 nan 4.420 nan 0.000 0.286 163 P C -0.722 176.641 177.300 0.106 0.000 1.261 163 P CA -0.264 62.874 63.100 0.063 0.000 0.821 163 P CB 1.934 33.670 31.700 0.060 0.000 1.013 164 S N 1.517 117.299 115.700 0.136 0.000 2.513 164 S HA 0.630 5.100 4.470 0.000 0.000 0.299 164 S C -1.084 173.685 174.600 0.281 0.000 1.087 164 S CA -0.319 58.020 58.200 0.231 0.000 1.012 164 S CB 0.646 63.955 63.200 0.181 0.000 1.044 164 S HN 0.440 nan 8.310 nan 0.000 0.485 165 F N 3.290 123.317 119.950 0.129 0.000 2.507 165 F HA 0.693 5.220 4.527 0.000 0.000 0.325 165 F C -1.356 174.459 175.800 0.026 0.000 1.116 165 F CA -0.977 57.047 58.000 0.040 0.000 0.930 165 F CB 0.635 39.627 39.000 -0.013 0.000 1.146 165 F HN 0.435 nan 8.300 nan 0.000 0.447 166 I N 4.872 124.994 120.570 -0.747 0.000 2.418 166 I HA 0.276 4.446 4.170 0.000 0.000 0.287 166 I C -0.338 175.146 176.117 -1.055 0.000 1.008 166 I CA -0.792 60.098 61.300 -0.683 0.000 1.104 166 I CB 1.855 39.697 38.000 -0.263 0.000 1.264 166 I HN 0.542 nan 8.210 nan 0.000 0.438 167 S N 7.085 122.269 115.700 -0.860 0.000 2.499 167 S HA 0.639 5.109 4.470 0.000 0.000 0.279 167 S C -0.558 173.865 174.600 -0.295 0.000 1.219 167 S CA -0.444 57.437 58.200 -0.532 0.000 1.062 167 S CB 0.384 63.449 63.200 -0.226 0.000 0.978 167 S HN 0.479 nan 8.310 nan 0.000 0.489 168 L N 6.632 127.712 121.223 -0.238 0.000 2.417 168 L HA 0.393 4.734 4.340 0.000 0.000 0.259 168 L C -2.471 174.349 176.870 -0.083 0.000 1.023 168 L CA -2.051 52.702 54.840 -0.146 0.000 0.901 168 L CB 1.618 43.594 42.059 -0.139 0.000 1.227 168 L HN 0.447 nan 8.230 nan 0.000 0.454 169 P HA -0.016 nan 4.420 nan 0.000 0.264 169 P C 1.197 178.482 177.300 -0.025 0.000 1.193 169 P CA 0.030 63.095 63.100 -0.058 0.000 0.763 169 P CB 1.100 32.758 31.700 -0.071 0.000 0.810 170 V N 3.492 123.398 119.914 -0.013 0.000 2.392 170 V HA -0.271 3.849 4.120 0.000 0.000 0.249 170 V C 2.018 178.125 176.094 0.021 0.000 1.059 170 V CA 2.490 64.803 62.300 0.021 0.000 1.051 170 V CB -1.044 30.796 31.823 0.029 0.000 0.658 170 V HN 0.666 nan 8.190 nan 0.000 0.455 171 D N 0.311 120.717 120.400 0.010 0.000 2.117 171 D HA -0.198 4.443 4.640 0.000 0.000 0.197 171 D C 2.004 178.322 176.300 0.030 0.000 0.987 171 D CA 1.466 55.485 54.000 0.033 0.000 0.829 171 D CB -0.549 40.287 40.800 0.060 0.000 0.961 171 D HN 0.447 nan 8.370 nan 0.000 0.460 172 L N -0.464 120.769 121.223 0.018 0.000 2.109 172 L HA -0.055 4.285 4.340 0.000 0.000 0.207 172 L C 2.658 179.542 176.870 0.022 0.000 1.086 172 L CA 0.308 55.158 54.840 0.018 0.000 0.760 172 L CB -0.444 41.616 42.059 0.001 0.000 0.910 172 L HN 0.041 nan 8.230 nan 0.000 0.437 173 L N 0.585 121.823 121.223 0.025 0.000 2.083 173 L HA -0.079 4.261 4.340 0.000 0.000 0.209 173 L C 2.040 178.926 176.870 0.027 0.000 1.083 173 L CA 1.937 56.801 54.840 0.040 0.000 0.752 173 L CB -0.826 41.277 42.059 0.074 0.000 0.899 173 L HN 0.134 nan 8.230 nan 0.000 0.433 174 G N -1.640 107.173 108.800 0.022 0.000 3.233 174 G HA2 0.069 4.029 3.960 0.000 0.000 0.227 174 G HA3 0.069 4.029 3.960 0.000 0.000 0.227 174 G C 0.404 175.313 174.900 0.015 0.000 1.175 174 G CA 0.472 45.579 45.100 0.012 0.000 0.781 174 G HN 0.354 nan 8.290 nan 0.000 0.542 175 S N -0.078 115.636 115.700 0.023 0.000 2.541 175 S HA 0.430 4.900 4.470 0.000 0.000 0.283 175 S C 1.373 175.990 174.600 0.028 0.000 1.196 175 S CA 0.129 58.345 58.200 0.026 0.000 1.062 175 S CB 1.449 64.669 63.200 0.034 0.000 1.009 175 S HN 0.277 nan 8.310 nan 0.000 0.502 176 S N 2.337 118.050 115.700 0.021 0.000 2.540 176 S HA 0.201 4.671 4.470 0.000 0.000 0.218 176 S C 0.357 174.973 174.600 0.026 0.000 0.977 176 S CA -0.413 57.799 58.200 0.019 0.000 0.918 176 S CB -0.302 62.898 63.200 0.001 0.000 0.806 176 S HN 0.839 nan 8.310 nan 0.000 0.496 177 E N 1.515 121.735 120.200 0.034 0.000 2.498 177 E HA 0.317 4.667 4.350 0.000 0.000 0.252 177 E C 1.155 177.787 176.600 0.053 0.000 1.025 177 E CA 0.783 57.205 56.400 0.035 0.000 0.938 177 E CB -0.495 29.229 29.700 0.041 0.000 0.947 177 E HN 0.570 nan 8.360 nan 0.000 0.478 178 G N 4.351 113.155 108.800 0.007 0.000 2.179 178 G HA2 -0.285 3.675 3.960 0.000 0.000 0.260 178 G HA3 -0.285 3.675 3.960 0.000 0.000 0.260 178 G C 0.224 175.107 174.900 -0.029 0.000 0.977 178 G CA 0.223 45.290 45.100 -0.055 0.000 0.641 178 G HN 0.585 nan 8.290 nan 0.000 0.533 179 I N 1.655 122.242 120.570 0.028 0.000 2.297 179 I HA 0.420 4.590 4.170 0.000 0.000 0.291 179 I C 0.189 176.310 176.117 0.007 0.000 1.033 179 I CA -0.599 60.727 61.300 0.044 0.000 1.253 179 I CB 1.127 39.165 38.000 0.063 0.000 1.396 179 I HN 0.132 nan 8.210 nan 0.000 0.476 186 P HA 0.359 nan 4.420 nan 0.000 0.270 186 P C -2.593 174.692 177.300 -0.024 0.000 1.223 186 P CA -0.636 62.462 63.100 -0.003 0.000 0.785 186 P CB -0.624 31.081 31.700 0.007 0.000 0.923 187 P HA 0.046 nan 4.420 nan 0.000 0.266 187 P C 0.537 177.794 177.300 -0.072 0.000 1.195 187 P CA 0.077 63.150 63.100 -0.045 0.000 0.768 187 P CB 0.345 32.029 31.700 -0.026 0.000 0.838 188 A N 3.508 126.241 122.820 -0.145 0.000 1.897 188 A HA -0.125 4.195 4.320 0.000 0.000 0.215 188 A C 0.716 178.243 177.584 -0.094 0.000 1.181 188 A CA 0.837 52.711 52.037 -0.272 0.000 0.620 188 A CB -1.007 17.602 19.000 -0.652 0.000 0.821 188 A HN 0.658 nan 8.150 nan 0.000 0.443 189 N N 0.366 119.034 118.700 -0.054 0.000 2.725 189 N HA -0.115 4.625 4.740 0.000 0.000 0.251 189 N C -0.556 174.988 175.510 0.057 0.000 1.031 189 N CA 1.313 54.367 53.050 0.007 0.000 0.720 189 N CB -2.217 36.279 38.487 0.015 0.000 0.930 189 N HN 0.521 nan 8.380 nan 0.000 0.543 190 T N 1.488 116.092 114.554 0.083 0.000 2.867 190 T HA 0.203 4.553 4.350 0.000 0.000 0.297 190 T C -1.686 173.061 174.700 0.079 0.000 0.989 190 T CA -0.578 61.616 62.100 0.156 0.000 1.159 190 T CB 0.497 69.485 68.868 0.200 0.000 0.928 190 T HN 0.080 nan 8.240 nan 0.000 0.538 191 P HA 0.246 nan 4.420 nan 0.000 0.267 191 P C 0.500 177.822 177.300 0.036 0.000 1.205 191 P CA -0.296 62.826 63.100 0.037 0.000 0.765 191 P CB 0.474 32.188 31.700 0.023 0.000 0.828 192 A N 3.935 126.773 122.820 0.031 0.000 1.968 192 A HA -0.069 4.251 4.320 0.000 0.000 0.217 192 A C 0.904 178.506 177.584 0.030 0.000 1.169 192 A CA 1.381 53.437 52.037 0.031 0.000 0.638 192 A CB -0.490 18.526 19.000 0.027 0.000 0.812 192 A HN 0.665 nan 8.150 nan 0.000 0.446 193 K N -1.223 119.191 120.400 0.025 0.000 2.495 193 K HA 0.595 4.915 4.320 0.000 0.000 0.268 193 K C -3.382 173.227 176.600 0.016 0.000 1.008 193 K CA -2.041 54.260 56.287 0.023 0.000 0.882 193 K CB 0.911 33.425 32.500 0.022 0.000 1.443 193 K HN -0.193 nan 8.250 nan 0.000 0.447 194 P HA 0.005 nan 4.420 nan 0.000 0.266 194 P C -0.740 176.559 177.300 -0.002 0.000 1.195 194 P CA -0.489 62.614 63.100 0.005 0.000 0.768 194 P CB 0.548 32.252 31.700 0.005 0.000 0.838 195 V N 3.032 122.943 119.914 -0.005 0.000 2.572 195 V HA 0.389 4.509 4.120 0.000 0.000 0.291 195 V C 1.126 177.211 176.094 -0.015 0.000 1.039 195 V CA 0.610 62.905 62.300 -0.008 0.000 1.055 195 V CB 0.343 32.162 31.823 -0.006 0.000 0.969 195 V HN 0.793 nan 8.190 nan 0.000 0.482 196 G N 3.367 112.151 108.800 -0.026 0.000 2.473 196 G HA2 0.605 4.565 3.960 0.000 0.000 0.321 196 G HA3 0.605 4.565 3.960 0.000 0.000 0.321 196 G C -0.911 173.964 174.900 -0.043 0.000 1.200 196 G CA -0.676 44.400 45.100 -0.040 0.000 0.963 196 G HN 0.552 nan 8.290 nan 0.000 0.483 197 V N 0.251 120.137 119.914 -0.046 0.000 2.583 197 V HA 0.416 4.536 4.120 0.000 0.000 0.287 197 V C -0.042 176.009 176.094 -0.071 0.000 1.051 197 V CA -0.296 61.980 62.300 -0.040 0.000 1.010 197 V CB 1.188 32.995 31.823 -0.028 0.000 0.988 197 V HN 0.444 nan 8.190 nan 0.000 0.478 198 V N 3.767 123.653 119.914 -0.047 0.000 2.525 198 V HA 0.695 4.815 4.120 0.000 0.000 0.299 198 V C 0.200 176.318 176.094 0.041 0.000 1.034 198 V CA -0.644 61.621 62.300 -0.058 0.000 0.863 198 V CB 1.777 33.564 31.823 -0.060 0.000 0.999 198 V HN 1.014 nan 8.190 nan 0.000 0.423 199 A N 2.796 125.663 122.820 0.079 0.000 2.331 199 A HA 0.574 4.894 4.320 0.000 0.000 0.283 199 A C -0.073 177.639 177.584 0.213 0.000 1.142 199 A CA -0.338 51.771 52.037 0.120 0.000 0.812 199 A CB 0.447 19.501 19.000 0.090 0.000 1.074 199 A HN 0.935 nan 8.150 nan 0.000 0.497 200 D N 1.456 121.934 120.400 0.131 0.000 2.493 200 D HA 0.353 4.993 4.640 0.000 0.000 0.240 200 D C 1.342 177.682 176.300 0.066 0.000 1.142 200 D CA 2.053 56.111 54.000 0.096 0.000 0.872 200 D CB 0.226 41.056 40.800 0.050 0.000 1.173 200 D HN 1.269 nan 8.370 nan 0.000 0.467 201 G N 3.779 112.575 108.800 -0.006 0.000 2.143 201 G HA2 -0.271 3.689 3.960 0.000 0.000 0.249 201 G HA3 -0.271 3.689 3.960 0.000 0.000 0.249 201 G C 1.064 175.935 174.900 -0.048 0.000 0.981 201 G CA 0.447 45.508 45.100 -0.065 0.000 0.665 201 G HN 0.706 nan 8.290 nan 0.000 0.528 202 W N 0.208 121.487 121.300 -0.036 0.000 2.374 202 W HA -0.102 4.558 4.660 0.000 0.000 0.288 202 W C 1.467 177.943 176.519 -0.070 0.000 1.218 202 W CA 1.441 58.762 57.345 -0.039 0.000 1.245 202 W CB -0.701 28.741 29.460 -0.031 0.000 1.126 202 W HN 0.393 nan 8.180 nan 0.000 0.545 203 Q N 1.419 120.622 119.800 -0.995 0.000 2.084 203 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 203 Q C 2.331 178.105 176.000 -0.378 0.000 0.978 203 Q CA 2.468 57.602 55.803 -1.115 0.000 0.844 203 Q CB -0.609 27.377 28.738 -1.253 0.000 0.898 203 Q HN 0.336 nan 8.270 nan 0.000 0.426 204 K N 0.200 120.466 120.400 -0.223 0.000 2.063 204 K HA -0.162 4.158 4.320 0.000 0.000 0.208 204 K C 1.988 178.605 176.600 0.028 0.000 1.048 204 K CA 1.279 57.530 56.287 -0.059 0.000 0.928 204 K CB -0.206 32.263 32.500 -0.052 0.000 0.713 204 K HN 0.223 nan 8.250 nan 0.000 0.442 205 A N 1.065 123.916 122.820 0.051 0.000 1.877 205 A HA -0.113 4.207 4.320 0.000 0.000 0.216 205 A C 2.344 180.048 177.584 0.201 0.000 1.186 205 A CA 1.917 54.020 52.037 0.110 0.000 0.620 205 A CB -0.874 18.193 19.000 0.112 0.000 0.822 205 A HN 0.493 nan 8.150 nan 0.000 0.443 206 A N 0.086 123.079 122.820 0.289 0.000 1.908 206 A HA -0.220 4.100 4.320 0.000 0.000 0.218 206 A C 1.736 179.603 177.584 0.471 0.000 1.181 206 A CA 2.029 54.379 52.037 0.523 0.000 0.627 206 A CB -0.648 18.732 19.000 0.632 0.000 0.818 206 A HN 0.473 nan 8.150 nan 0.000 0.445 207 D N -0.433 120.147 120.400 0.300 0.000 2.144 207 D HA -0.139 4.501 4.640 0.000 0.000 0.199 207 D C 2.186 178.603 176.300 0.195 0.000 0.984 207 D CA 1.431 55.564 54.000 0.221 0.000 0.834 207 D CB -0.412 40.476 40.800 0.147 0.000 0.955 207 D HN 0.654 nan 8.370 nan 0.000 0.465 208 Q N 0.264 120.170 119.800 0.176 0.000 2.119 208 Q HA -0.035 4.305 4.340 0.000 0.000 0.201 208 Q C 2.224 178.343 176.000 0.198 0.000 0.972 208 Q CA 1.306 57.198 55.803 0.149 0.000 0.847 208 Q CB -0.105 28.696 28.738 0.104 0.000 0.903 208 Q HN 0.226 nan 8.270 nan 0.000 0.433 209 A N 1.234 124.221 122.820 0.278 0.000 1.902 209 A HA -0.158 4.162 4.320 0.000 0.000 0.217 209 A C 2.310 180.195 177.584 0.501 0.000 1.181 209 A CA 1.633 53.889 52.037 0.365 0.000 0.623 209 A CB -0.806 18.446 19.000 0.421 0.000 0.818 209 A HN 0.402 nan 8.150 nan 0.000 0.443 210 A N -0.180 122.934 122.820 0.490 0.000 1.902 210 A HA 0.158 4.478 4.320 0.000 0.000 0.217 210 A C 2.494 180.276 177.584 0.331 0.000 1.181 210 A CA 2.069 54.243 52.037 0.229 0.000 0.623 210 A CB -0.976 17.973 19.000 -0.086 0.000 0.818 210 A HN 1.070 nan 8.150 nan 0.000 0.443 211 A N -0.315 122.652 122.820 0.245 0.000 1.933 211 A HA -0.010 4.310 4.320 0.000 0.000 0.218 211 A C 2.147 179.813 177.584 0.136 0.000 1.175 211 A CA 1.417 53.556 52.037 0.170 0.000 0.628 211 A CB -0.546 18.522 19.000 0.114 0.000 0.814 211 A HN 0.476 nan 8.150 nan 0.000 0.444 212 L N -1.142 120.179 121.223 0.163 0.000 2.093 212 L HA -0.149 4.191 4.340 0.000 0.000 0.208 212 L C 2.540 179.498 176.870 0.147 0.000 1.085 212 L CA 1.049 55.968 54.840 0.131 0.000 0.755 212 L CB -0.500 41.636 42.059 0.128 0.000 0.904 212 L HN 0.462 nan 8.230 nan 0.000 0.435 213 L N 0.312 121.684 121.223 0.248 0.000 2.046 213 L HA -0.130 4.210 4.340 0.000 0.000 0.208 213 L C 2.661 179.630 176.870 0.165 0.000 1.077 213 L CA 1.943 56.949 54.840 0.276 0.000 0.747 213 L CB -0.706 41.622 42.059 0.448 0.000 0.896 213 L HN 0.137 nan 8.230 nan 0.000 0.432 214 A N -0.713 122.161 122.820 0.090 0.000 1.917 214 A HA -0.255 4.065 4.320 0.000 0.000 0.219 214 A C 2.174 179.643 177.584 -0.193 0.000 1.182 214 A CA 2.106 53.940 52.037 -0.339 0.000 0.633 214 A CB -0.632 18.068 19.000 -0.499 0.000 0.819 214 A HN 0.648 nan 8.150 nan 0.000 0.448 215 E N -0.368 119.786 120.200 -0.077 0.000 2.299 215 E HA 0.236 4.586 4.350 0.000 0.000 0.193 215 E C 0.836 177.411 176.600 -0.041 0.000 0.998 215 E CA 0.130 56.495 56.400 -0.058 0.000 0.851 215 E CB -0.101 29.584 29.700 -0.025 0.000 0.795 215 E HN 0.594 nan 8.360 nan 0.000 0.492 216 A N 1.382 124.193 122.820 -0.015 0.000 2.401 216 A HA 0.086 4.406 4.320 0.000 0.000 0.259 216 A C 0.717 178.262 177.584 -0.065 0.000 1.103 216 A CA -0.102 51.928 52.037 -0.011 0.000 0.789 216 A CB 0.566 19.587 19.000 0.035 0.000 1.035 216 A HN 0.023 nan 8.150 nan 0.000 0.491 217 K N 0.388 120.716 120.400 -0.120 0.000 2.128 217 K HA 0.045 4.365 4.320 0.000 0.000 0.202 217 K C -0.268 176.026 176.600 -0.509 0.000 1.050 217 K CA 0.839 56.935 56.287 -0.318 0.000 0.966 217 K CB 0.107 32.388 32.500 -0.365 0.000 0.759 217 K HN 0.784 nan 8.250 nan 0.000 0.454 218 H N 0.811 119.899 119.070 0.030 0.000 2.448 218 H HA 0.251 4.807 4.556 0.000 0.000 0.237 218 H C -2.632 172.700 175.328 0.007 0.000 1.391 218 H CA -2.216 53.850 56.048 0.032 0.000 1.477 218 H CB 0.864 30.624 29.762 -0.004 0.000 1.520 218 H HN 0.111 nan 8.280 nan 0.000 0.502 219 P HA 0.176 nan 4.420 nan 0.000 0.279 219 P C 0.010 177.351 177.300 0.069 0.000 1.252 219 P CA -0.509 62.639 63.100 0.081 0.000 0.811 219 P CB 2.233 33.992 31.700 0.099 0.000 1.035 220 V N -0.734 119.203 119.914 0.038 0.000 2.876 220 V HA 0.556 4.676 4.120 0.000 0.000 0.312 220 V C -0.689 175.403 176.094 -0.002 0.000 1.085 220 V CA -1.154 61.157 62.300 0.019 0.000 0.945 220 V CB 1.804 33.661 31.823 0.057 0.000 1.017 220 V HN 0.259 nan 8.190 nan 0.000 0.428 221 L N 3.566 124.781 121.223 -0.013 0.000 2.257 221 L HA 0.588 4.928 4.340 0.000 0.000 0.290 221 L C -0.495 176.375 176.870 0.001 0.000 1.044 221 L CA -0.672 54.159 54.840 -0.014 0.000 0.810 221 L CB 1.641 43.696 42.059 -0.006 0.000 1.193 221 L HN 0.545 nan 8.230 nan 0.000 0.425 222 V N 5.117 125.027 119.914 -0.007 0.000 2.318 222 V HA 0.274 4.394 4.120 0.000 0.000 0.271 222 V C 0.143 176.265 176.094 0.046 0.000 1.030 222 V CA -0.494 61.833 62.300 0.044 0.000 0.844 222 V CB 1.688 33.527 31.823 0.026 0.000 1.015 222 V HN 0.416 nan 8.190 nan 0.000 0.460 223 V N 4.664 124.611 119.914 0.055 0.000 2.398 223 V HA 0.783 4.903 4.120 0.000 0.000 0.286 223 V C 0.788 176.913 176.094 0.052 0.000 1.026 223 V CA -0.166 62.157 62.300 0.039 0.000 0.868 223 V CB 1.519 33.350 31.823 0.014 0.000 0.982 223 V HN 0.865 nan 8.190 nan 0.000 0.443 224 G N 2.209 111.035 108.800 0.044 0.000 2.597 224 G HA2 0.571 4.531 3.960 0.000 0.000 0.317 224 G HA3 0.571 4.531 3.960 0.000 0.000 0.317 224 G C 0.883 175.803 174.900 0.034 0.000 1.230 224 G CA -0.028 45.090 45.100 0.031 0.000 0.996 224 G HN 0.894 nan 8.290 nan 0.000 0.490 225 A N -0.298 122.560 122.820 0.063 0.000 1.978 225 A HA 0.132 4.452 4.320 0.000 0.000 0.220 225 A C 2.636 180.286 177.584 0.111 0.000 1.170 225 A CA 2.504 54.626 52.037 0.141 0.000 0.636 225 A CB -0.720 18.422 19.000 0.236 0.000 0.810 225 A HN 1.367 nan 8.150 nan 0.000 0.448 226 A N -0.173 122.680 122.820 0.056 0.000 1.972 226 A HA 0.144 4.465 4.320 0.000 0.000 0.219 226 A C 2.427 180.025 177.584 0.023 0.000 1.169 226 A CA 1.907 53.967 52.037 0.038 0.000 0.635 226 A CB -0.839 18.167 19.000 0.010 0.000 0.810 226 A HN 1.061 nan 8.150 nan 0.000 0.446 227 A N -0.043 122.783 122.820 0.011 0.000 1.933 227 A HA -0.058 4.262 4.320 0.000 0.000 0.218 227 A C 2.065 179.637 177.584 -0.020 0.000 1.175 227 A CA 1.486 53.521 52.037 -0.003 0.000 0.628 227 A CB -0.537 18.459 19.000 -0.006 0.000 0.814 227 A HN 0.522 nan 8.150 nan 0.000 0.444 228 I N -1.151 119.393 120.570 -0.043 0.000 2.286 228 I HA -0.209 3.961 4.170 0.000 0.000 0.245 228 I C 2.676 178.788 176.117 -0.007 0.000 1.104 228 I CA 1.019 62.253 61.300 -0.110 0.000 1.397 228 I CB -0.366 37.408 38.000 -0.376 0.000 1.072 228 I HN 0.236 nan 8.210 nan 0.000 0.417 229 R N 0.136 120.683 120.500 0.079 0.000 2.105 229 R HA -0.171 4.169 4.340 0.000 0.000 0.239 229 R C 2.428 178.756 176.300 0.046 0.000 1.135 229 R CA 1.624 57.781 56.100 0.095 0.000 0.967 229 R CB -0.438 29.918 30.300 0.094 0.000 0.861 229 R HN 0.245 nan 8.270 nan 0.000 0.442 230 S N -0.674 115.040 115.700 0.023 0.000 2.515 230 S HA -0.001 4.469 4.470 0.000 0.000 0.231 230 S C 1.046 175.651 174.600 0.009 0.000 0.987 230 S CA 0.862 59.068 58.200 0.009 0.000 0.936 230 S CB 0.008 63.206 63.200 -0.002 0.000 0.766 230 S HN 0.643 nan 8.310 nan 0.000 0.528 231 G N 0.265 109.069 108.800 0.006 0.000 2.182 231 G HA2 -0.176 3.784 3.960 0.000 0.000 0.248 231 G HA3 -0.176 3.784 3.960 0.000 0.000 0.248 231 G C 0.423 175.322 174.900 -0.003 0.000 1.042 231 G CA 0.221 45.321 45.100 0.001 0.000 0.775 231 G HN 0.904 nan 8.290 nan 0.000 0.501 232 A N -1.029 121.787 122.820 -0.008 0.000 2.348 232 A HA 0.630 4.950 4.320 0.000 0.000 0.224 232 A C 2.185 179.763 177.584 -0.010 0.000 1.227 232 A CA 1.351 53.389 52.037 0.001 0.000 0.885 232 A CB 0.208 19.218 19.000 0.017 0.000 0.933 232 A HN 0.931 nan 8.150 nan 0.000 0.506 233 V N 1.174 121.069 119.914 -0.031 0.000 2.255 233 V HA -0.177 3.943 4.120 0.000 0.000 0.247 233 V C -0.079 175.997 176.094 -0.029 0.000 1.051 233 V CA 2.737 65.011 62.300 -0.044 0.000 1.018 233 V CB -1.420 30.358 31.823 -0.074 0.000 0.641 233 V HN 0.374 nan 8.190 nan 0.000 0.445 234 P HA -0.161 nan 4.420 nan 0.000 0.215 234 P C 1.701 178.999 177.300 -0.003 0.000 1.153 234 P CA 2.081 65.176 63.100 -0.009 0.000 0.853 234 P CB -0.195 31.504 31.700 -0.002 0.000 0.788 235 A N -0.706 122.114 122.820 0.001 0.000 1.877 235 A HA -0.193 4.127 4.320 0.000 0.000 0.216 235 A C 2.233 179.824 177.584 0.011 0.000 1.186 235 A CA 1.595 53.636 52.037 0.008 0.000 0.620 235 A CB -1.655 17.353 19.000 0.013 0.000 0.822 235 A HN 0.117 nan 8.150 nan 0.000 0.443 236 I N -1.032 119.543 120.570 0.009 0.000 2.226 236 I HA -0.249 3.921 4.170 0.000 0.000 0.245 236 I C 2.698 178.812 176.117 -0.006 0.000 1.100 236 I CA 1.682 62.989 61.300 0.011 0.000 1.374 236 I CB -0.285 37.717 38.000 0.004 0.000 1.057 236 I HN 0.397 nan 8.210 nan 0.000 0.413 237 R N 1.332 121.818 120.500 -0.025 0.000 2.073 237 R HA -0.198 4.142 4.340 0.000 0.000 0.234 237 R C 2.387 178.685 176.300 -0.003 0.000 1.134 237 R CA 1.742 57.816 56.100 -0.044 0.000 0.952 237 R CB -0.332 29.938 30.300 -0.050 0.000 0.850 237 R HN 0.334 nan 8.270 nan 0.000 0.433 238 A N 1.204 124.030 122.820 0.010 0.000 1.908 238 A HA -0.189 4.131 4.320 0.000 0.000 0.218 238 A C 2.085 179.683 177.584 0.023 0.000 1.181 238 A CA 1.512 53.561 52.037 0.020 0.000 0.627 238 A CB -0.671 18.337 19.000 0.013 0.000 0.818 238 A HN 0.433 nan 8.150 nan 0.000 0.445 239 L N -0.375 120.863 121.223 0.024 0.000 2.017 239 L HA -0.032 4.308 4.340 0.000 0.000 0.208 239 L C 2.697 179.597 176.870 0.050 0.000 1.073 239 L CA 2.258 57.122 54.840 0.040 0.000 0.745 239 L CB -0.740 41.362 42.059 0.072 0.000 0.894 239 L HN 0.331 nan 8.230 nan 0.000 0.432 240 A N -0.741 122.102 122.820 0.039 0.000 1.908 240 A HA -0.247 4.073 4.320 0.000 0.000 0.218 240 A C 2.172 179.786 177.584 0.051 0.000 1.181 240 A CA 1.991 54.047 52.037 0.031 0.000 0.627 240 A CB -0.693 18.297 19.000 -0.016 0.000 0.818 240 A HN 0.631 nan 8.150 nan 0.000 0.445 241 E N -0.972 119.266 120.200 0.063 0.000 2.047 241 E HA -0.190 4.160 4.350 0.000 0.000 0.191 241 E C 2.326 178.967 176.600 0.068 0.000 0.987 241 E CA 1.157 57.616 56.400 0.098 0.000 0.799 241 E CB -0.178 29.594 29.700 0.120 0.000 0.752 241 E HN 0.619 nan 8.360 nan 0.000 0.449 242 R N 0.813 121.342 120.500 0.049 0.000 2.083 242 R HA -0.110 4.230 4.340 0.000 0.000 0.237 242 R C 1.876 178.204 176.300 0.046 0.000 1.137 242 R CA 1.221 57.343 56.100 0.037 0.000 0.951 242 R CB -0.061 30.249 30.300 0.017 0.000 0.851 242 R HN 0.166 nan 8.270 nan 0.000 0.434 243 L N 0.450 121.706 121.223 0.055 0.000 2.607 243 L HA 0.119 4.459 4.340 0.000 0.000 0.228 243 L C 0.140 177.054 176.870 0.073 0.000 1.123 243 L CA -0.125 54.759 54.840 0.072 0.000 0.890 243 L CB -0.060 42.055 42.059 0.092 0.000 1.103 243 L HN 0.353 nan 8.230 nan 0.000 0.468 244 N N 1.255 119.995 118.700 0.066 0.000 2.756 244 N HA -0.210 4.530 4.740 0.000 0.000 0.248 244 N C -0.604 174.936 175.510 0.050 0.000 1.062 244 N CA 0.424 53.513 53.050 0.065 0.000 0.696 244 N CB -1.202 37.326 38.487 0.068 0.000 0.946 244 N HN 0.314 nan 8.380 nan 0.000 0.548 245 I N 0.524 121.115 120.570 0.035 0.000 2.312 245 I HA 0.342 4.512 4.170 0.000 0.000 0.290 245 I C -1.879 174.182 176.117 -0.092 0.000 1.008 245 I CA -2.076 59.227 61.300 0.004 0.000 1.226 245 I CB 1.351 39.379 38.000 0.048 0.000 1.371 245 I HN -0.001 nan 8.210 nan 0.000 0.468 246 P HA 0.031 nan 4.420 nan 0.000 0.266 246 P C -0.741 176.375 177.300 -0.307 0.000 1.195 246 P CA -0.032 62.725 63.100 -0.572 0.000 0.768 246 P CB 0.613 31.562 31.700 -1.252 0.000 0.838 247 V N 5.394 125.174 119.914 -0.223 0.000 2.384 247 V HA 0.388 4.508 4.120 0.000 0.000 0.287 247 V C 0.335 176.422 176.094 -0.012 0.000 1.020 247 V CA -0.309 61.940 62.300 -0.085 0.000 0.850 247 V CB 1.024 32.804 31.823 -0.073 0.000 0.987 247 V HN 0.389 nan 8.190 nan 0.000 0.436 248 I N 4.329 124.914 120.570 0.025 0.000 2.530 248 I HA 0.671 4.841 4.170 0.000 0.000 0.297 248 I C 0.300 176.476 176.117 0.099 0.000 1.011 248 I CA -0.280 61.070 61.300 0.084 0.000 1.107 248 I CB 2.555 40.620 38.000 0.109 0.000 1.285 248 I HN 0.734 nan 8.210 nan 0.000 0.436 249 T N 0.035 114.657 114.554 0.114 0.000 2.916 249 T HA 0.581 4.931 4.350 0.000 0.000 0.292 249 T C 0.012 174.802 174.700 0.150 0.000 1.064 249 T CA -0.715 61.453 62.100 0.113 0.000 1.011 249 T CB 1.714 70.637 68.868 0.092 0.000 1.152 249 T HN 0.670 nan 8.240 nan 0.000 0.510 250 T N -0.010 114.619 114.554 0.125 0.000 2.732 250 T HA 0.246 4.596 4.350 0.000 0.000 0.287 250 T C 0.969 175.802 174.700 0.221 0.000 0.993 250 T CA -0.469 61.687 62.100 0.093 0.000 0.966 250 T CB -0.071 68.784 68.868 -0.021 0.000 1.047 250 T HN 0.543 nan 8.240 nan 0.000 0.527 251 Y N 0.698 121.084 120.300 0.144 0.000 2.081 251 Y HA -0.077 4.473 4.550 0.000 0.000 0.280 251 Y C 2.424 178.503 175.900 0.298 0.000 1.163 251 Y CA 1.160 59.387 58.100 0.211 0.000 1.135 251 Y CB -1.337 37.247 38.460 0.206 0.000 0.970 251 Y HN 0.704 nan 8.280 nan 0.000 0.498 252 I N -2.815 117.984 120.570 0.383 0.000 3.793 252 I HA 0.411 4.582 4.170 0.000 0.000 0.315 252 I C 1.726 178.042 176.117 0.331 0.000 1.275 252 I CA 0.832 62.360 61.300 0.380 0.000 1.214 252 I CB -0.267 37.926 38.000 0.323 0.000 1.018 252 I HN 0.010 nan 8.210 nan 0.000 0.439 253 A N 1.053 124.000 122.820 0.212 0.000 2.251 253 A HA 0.202 4.522 4.320 0.000 0.000 0.209 253 A C 0.905 178.538 177.584 0.082 0.000 1.187 253 A CA -0.224 51.867 52.037 0.091 0.000 0.823 253 A CB -0.409 18.626 19.000 0.059 0.000 0.846 253 A HN 0.377 nan 8.150 nan 0.000 0.486 254 K N -0.395 120.097 120.400 0.155 0.000 2.489 254 K HA 0.301 4.621 4.320 0.000 0.000 0.278 254 K C 1.141 177.794 176.600 0.088 0.000 1.000 254 K CA 0.977 57.337 56.287 0.122 0.000 1.012 254 K CB 0.103 32.698 32.500 0.157 0.000 0.903 254 K HN 0.599 nan 8.250 nan 0.000 0.485 255 G N 0.817 109.644 108.800 0.046 0.000 2.176 255 G HA2 -0.281 3.679 3.960 0.000 0.000 0.232 255 G HA3 -0.281 3.679 3.960 0.000 0.000 0.232 255 G C 0.658 175.544 174.900 -0.023 0.000 0.986 255 G CA 0.168 45.282 45.100 0.024 0.000 0.643 255 G HN 0.531 nan 8.290 nan 0.000 0.522 256 V N -1.735 118.154 119.914 -0.042 0.000 2.809 256 V HA 0.451 4.571 4.120 0.000 0.000 0.256 256 V C 1.247 177.296 176.094 -0.076 0.000 1.080 256 V CA 1.294 63.552 62.300 -0.070 0.000 1.102 256 V CB -0.281 31.499 31.823 -0.072 0.000 0.705 256 V HN 0.426 nan 8.190 nan 0.000 0.475 257 L N 0.508 121.687 121.223 -0.073 0.000 2.342 257 L HA 0.589 4.929 4.340 0.000 0.000 0.271 257 L C -2.523 174.342 176.870 -0.007 0.000 1.008 257 L CA -2.199 52.578 54.840 -0.106 0.000 0.818 257 L CB 2.104 44.024 42.059 -0.231 0.000 1.296 257 L HN -0.025 nan 8.230 nan 0.000 0.427 258 P HA 0.035 nan 4.420 nan 0.000 0.270 258 P C -0.569 176.787 177.300 0.093 0.000 1.223 258 P CA -0.385 62.761 63.100 0.076 0.000 0.785 258 P CB 0.472 32.233 31.700 0.102 0.000 0.923 259 V N 2.077 122.032 119.914 0.069 0.000 2.617 259 V HA 0.232 4.352 4.120 0.000 0.000 0.304 259 V C 1.692 177.829 176.094 0.071 0.000 1.040 259 V CA 2.006 64.344 62.300 0.064 0.000 1.149 259 V CB -0.563 31.289 31.823 0.049 0.000 0.914 259 V HN 1.053 nan 8.190 nan 0.000 0.487 260 G N 2.800 111.643 108.800 0.072 0.000 2.194 260 G HA2 -0.229 3.731 3.960 0.000 0.000 0.236 260 G HA3 -0.229 3.731 3.960 0.000 0.000 0.236 260 G C 0.332 175.276 174.900 0.074 0.000 0.987 260 G CA 0.174 45.308 45.100 0.056 0.000 0.635 260 G HN 0.891 nan 8.290 nan 0.000 0.520 261 H N 1.749 120.835 119.070 0.027 0.000 2.928 261 H HA 0.207 4.763 4.556 0.000 0.000 0.338 261 H C 1.622 176.980 175.328 0.051 0.000 1.047 261 H CA 1.090 57.159 56.048 0.035 0.000 1.435 261 H CB 0.585 30.369 29.762 0.036 0.000 1.428 261 H HN 0.542 nan 8.280 nan 0.000 0.590 262 E N 3.656 123.897 120.200 0.068 0.000 2.204 262 E HA -0.132 4.218 4.350 0.000 0.000 0.195 262 E C 1.507 178.299 176.600 0.320 0.000 0.990 262 E CA 0.796 57.279 56.400 0.139 0.000 0.821 262 E CB 0.263 29.986 29.700 0.037 0.000 0.750 262 E HN 0.613 nan 8.360 nan 0.000 0.477 263 L N 0.753 122.272 121.223 0.493 0.000 2.607 263 L HA 0.093 4.433 4.340 0.000 0.000 0.228 263 L C 0.800 177.800 176.870 0.217 0.000 1.123 263 L CA -0.370 54.639 54.840 0.282 0.000 0.890 263 L CB 0.007 42.151 42.059 0.141 0.000 1.103 263 L HN -0.023 nan 8.230 nan 0.000 0.468 264 N N 0.164 119.020 118.700 0.261 0.000 2.466 264 N HA -0.065 4.675 4.740 0.000 0.000 0.263 264 N C 0.295 175.958 175.510 0.255 0.000 1.178 264 N CA 0.130 53.284 53.050 0.174 0.000 0.983 264 N CB 0.249 38.811 38.487 0.125 0.000 1.331 264 N HN 0.047 nan 8.380 nan 0.000 0.500 265 Y N 1.880 122.159 120.300 -0.034 0.000 2.490 265 Y HA 0.264 4.814 4.550 0.000 0.000 0.281 265 Y C 1.696 177.553 175.900 -0.071 0.000 1.174 265 Y CA 0.335 58.394 58.100 -0.068 0.000 1.295 265 Y CB -0.280 38.124 38.460 -0.093 0.000 1.062 265 Y HN 0.637 nan 8.280 nan 0.000 0.522 266 G N -0.105 108.742 108.800 0.079 0.000 2.655 266 G HA2 0.158 4.118 3.960 0.000 0.000 0.680 266 G HA3 0.158 4.118 3.960 0.000 0.000 0.680 266 G C -0.698 174.223 174.900 0.034 0.000 1.302 266 G CA -0.747 44.359 45.100 0.009 0.000 0.872 266 G HN 0.492 nan 8.290 nan 0.000 0.540 267 A N -1.030 121.796 122.820 0.010 0.000 2.295 267 A HA 0.834 5.154 4.320 0.000 0.000 0.318 267 A C 0.295 177.938 177.584 0.098 0.000 1.134 267 A CA -0.008 52.075 52.037 0.076 0.000 0.827 267 A CB 1.546 20.593 19.000 0.078 0.000 1.136 267 A HN 1.874 nan 8.150 nan 0.000 0.493 268 V N 1.068 121.103 119.914 0.202 0.000 2.481 268 V HA 0.652 4.772 4.120 0.000 0.000 0.286 268 V C 0.495 176.790 176.094 0.336 0.000 1.042 268 V CA -0.008 62.440 62.300 0.248 0.000 0.928 268 V CB 1.447 33.473 31.823 0.338 0.000 0.986 268 V HN 1.032 nan 8.190 nan 0.000 0.462 269 T N 2.416 117.138 114.554 0.280 0.000 2.912 269 T HA 0.505 4.855 4.350 0.000 0.000 0.299 269 T C 1.130 175.973 174.700 0.239 0.000 1.052 269 T CA 0.219 62.554 62.100 0.392 0.000 0.996 269 T CB 1.704 70.804 68.868 0.387 0.000 1.070 269 T HN 0.813 nan 8.240 nan 0.000 0.465 270 G N 2.013 110.939 108.800 0.209 0.000 2.501 270 G HA2 0.017 3.977 3.960 0.000 0.000 0.220 270 G HA3 0.017 3.977 3.960 0.000 0.000 0.220 270 G C 0.175 175.031 174.900 -0.073 0.000 1.114 270 G CA 0.808 45.918 45.100 0.017 0.000 0.757 270 G HN 0.669 nan 8.290 nan 0.000 0.559 274 G N 1.197 109.647 108.800 -0.584 0.000 2.408 274 G HA2 -0.086 3.874 3.960 0.000 0.000 0.217 274 G HA3 -0.086 3.874 3.960 0.000 0.000 0.217 274 G C 1.632 176.278 174.900 -0.422 0.000 1.150 274 G CA 0.676 45.092 45.100 -1.140 0.000 0.776 274 G HN 0.288 nan 8.290 nan 0.000 0.542 275 I N 0.181 120.666 120.570 -0.141 0.000 2.286 275 I HA -0.036 4.134 4.170 0.000 0.000 0.245 275 I C 2.404 178.470 176.117 -0.084 0.000 1.104 275 I CA 0.758 62.051 61.300 -0.012 0.000 1.397 275 I CB -0.069 37.734 38.000 -0.329 0.000 1.072 275 I HN 0.090 nan 8.210 nan 0.000 0.417 276 L N 0.171 121.255 121.223 -0.232 0.000 2.492 276 L HA 0.015 4.355 4.340 0.000 0.000 0.223 276 L C 0.572 177.515 176.870 0.121 0.000 1.132 276 L CA 0.069 54.721 54.840 -0.312 0.000 0.850 276 L CB -0.522 41.325 42.059 -0.352 0.000 0.966 276 L HN 0.376 nan 8.230 nan 0.000 0.454 277 N N 0.468 119.236 118.700 0.114 0.000 2.705 277 N HA -0.299 4.441 4.740 0.000 0.000 0.255 277 N C -0.826 174.812 175.510 0.213 0.000 1.008 277 N CA 0.543 53.678 53.050 0.141 0.000 0.742 277 N CB -1.031 37.578 38.487 0.203 0.000 0.906 277 N HN 0.283 nan 8.380 nan 0.000 0.541 278 F N -0.156 119.769 119.950 -0.042 0.000 2.650 278 F HA 0.458 4.986 4.527 0.000 0.000 0.310 278 F C -2.280 173.486 175.800 -0.057 0.000 1.112 278 F CA -1.680 56.300 58.000 -0.034 0.000 0.986 278 F CB 1.677 40.656 39.000 -0.035 0.000 1.285 278 F HN -0.040 nan 8.300 nan 0.000 0.440 279 P HA 0.186 nan 4.420 nan 0.000 0.230 279 P C -0.113 177.121 177.300 -0.110 0.000 1.791 279 P CA 0.404 63.320 63.100 -0.307 0.000 1.020 279 P CB 0.368 31.841 31.700 -0.379 0.000 1.977 280 A N 2.474 125.374 122.820 0.133 0.000 1.873 280 A HA -0.110 4.210 4.320 0.000 0.000 0.215 280 A C 2.111 179.773 177.584 0.130 0.000 1.186 280 A CA 1.024 53.201 52.037 0.234 0.000 0.616 280 A CB -1.129 17.958 19.000 0.145 0.000 0.823 280 A HN 0.334 nan 8.150 nan 0.000 0.442 281 L N -0.749 120.544 121.223 0.117 0.000 2.046 281 L HA -0.263 4.077 4.340 0.000 0.000 0.208 281 L C 2.904 179.906 176.870 0.221 0.000 1.077 281 L CA 1.860 56.824 54.840 0.208 0.000 0.747 281 L CB -0.491 41.677 42.059 0.182 0.000 0.896 281 L HN 0.590 nan 8.230 nan 0.000 0.432 282 Q N -0.409 119.458 119.800 0.112 0.000 2.061 282 Q HA -0.122 4.218 4.340 0.000 0.000 0.204 282 Q C 0.853 176.906 176.000 0.090 0.000 0.984 282 Q CA 1.459 57.313 55.803 0.084 0.000 0.846 282 Q CB 0.032 28.769 28.738 -0.002 0.000 0.902 282 Q HN 0.422 nan 8.270 nan 0.000 0.421 286 A N 1.448 124.371 122.820 0.172 0.000 1.892 286 A HA -0.119 4.201 4.320 0.000 0.000 0.218 286 A C -0.519 177.094 177.584 0.048 0.000 1.188 286 A CA 2.454 54.552 52.037 0.101 0.000 0.631 286 A CB -1.887 17.154 19.000 0.069 0.000 0.822 286 A HN 0.230 nan 8.150 nan 0.000 0.447 287 P HA 0.166 nan 4.420 nan 0.000 0.255 287 P C -0.099 177.169 177.300 -0.054 0.000 1.248 287 P CA 0.189 63.263 63.100 -0.043 0.000 0.807 287 P CB -0.087 31.543 31.700 -0.117 0.000 1.150 288 V N 3.191 123.042 119.914 -0.104 0.000 2.572 288 V HA 0.010 4.130 4.120 0.000 0.000 0.291 288 V C 1.472 177.595 176.094 0.049 0.000 1.039 288 V CA 0.776 63.041 62.300 -0.059 0.000 1.055 288 V CB 0.672 32.478 31.823 -0.028 0.000 0.969 288 V HN 0.168 nan 8.190 nan 0.000 0.482 289 D N 2.937 123.376 120.400 0.065 0.000 2.441 289 D HA 0.166 4.806 4.640 0.000 0.000 0.210 289 D C -0.077 176.246 176.300 0.040 0.000 1.102 289 D CA -0.076 53.958 54.000 0.057 0.000 0.840 289 D CB 0.632 41.466 40.800 0.056 0.000 0.990 289 D HN 0.327 nan 8.370 nan 0.000 0.505 290 L N 1.017 122.257 121.223 0.030 0.000 2.476 290 L HA 0.461 4.801 4.340 0.000 0.000 0.269 290 L C -1.772 175.074 176.870 -0.040 0.000 0.965 290 L CA -0.862 53.982 54.840 0.008 0.000 0.845 290 L CB 2.282 44.366 42.059 0.041 0.000 1.259 290 L HN -0.185 nan 8.230 nan 0.000 0.403 291 V N 6.345 126.175 119.914 -0.139 0.000 2.347 291 V HA 0.445 4.565 4.120 0.000 0.000 0.280 291 V C -0.317 175.611 176.094 -0.277 0.000 1.021 291 V CA -0.398 61.729 62.300 -0.288 0.000 0.847 291 V CB 1.391 32.782 31.823 -0.720 0.000 0.990 291 V HN 0.555 nan 8.190 nan 0.000 0.444 292 L N 5.152 126.259 121.223 -0.193 0.000 2.264 292 L HA 0.399 4.739 4.340 0.000 0.000 0.287 292 L C 0.820 177.571 176.870 -0.198 0.000 1.039 292 L CA -0.034 54.700 54.840 -0.177 0.000 0.829 292 L CB 1.457 43.449 42.059 -0.112 0.000 1.211 292 L HN 0.772 nan 8.230 nan 0.000 0.427 293 T N 0.404 114.821 114.554 -0.230 0.000 2.863 293 T HA 0.396 4.746 4.350 0.000 0.000 0.299 293 T C 0.045 174.715 174.700 -0.050 0.000 0.973 293 T CA -0.677 61.343 62.100 -0.133 0.000 0.994 293 T CB 0.096 68.852 68.868 -0.187 0.000 0.961 293 T HN 0.136 nan 8.240 nan 0.000 0.552 294 V N 3.875 123.762 119.914 -0.045 0.000 2.389 294 V HA 0.568 4.688 4.120 0.000 0.000 0.264 294 V C 1.417 177.509 176.094 -0.003 0.000 1.049 294 V CA 0.210 62.472 62.300 -0.064 0.000 0.932 294 V CB -0.049 31.755 31.823 -0.031 0.000 1.011 294 V HN 1.282 nan 8.190 nan 0.000 0.475 295 G N 4.052 112.843 108.800 -0.015 0.000 2.256 295 G HA2 -0.307 3.653 3.960 0.000 0.000 0.272 295 G HA3 -0.307 3.653 3.960 0.000 0.000 0.272 295 G C -0.221 174.716 174.900 0.062 0.000 1.076 295 G CA -0.067 45.040 45.100 0.012 0.000 0.882 295 G HN 0.863 nan 8.290 nan 0.000 0.497 296 Y N 0.939 121.239 120.300 0.000 0.000 2.511 296 Y HA 0.469 5.019 4.550 0.000 0.000 0.332 296 Y C 0.204 176.151 175.900 0.080 0.000 1.177 296 Y CA 0.225 58.362 58.100 0.062 0.000 1.422 296 Y CB 1.145 39.691 38.460 0.144 0.000 1.271 296 Y HN 0.248 nan 8.280 nan 0.000 0.550 297 D N 4.652 124.595 120.400 -0.762 0.000 2.613 297 D HA 0.020 4.660 4.640 0.000 0.000 0.230 297 D C -0.169 175.743 176.300 -0.646 0.000 1.365 297 D CA -0.510 53.198 54.000 -0.487 0.000 0.976 297 D CB 0.279 40.949 40.800 -0.217 0.000 1.415 297 D HN 0.550 nan 8.370 nan 0.000 0.589 298 Y N 3.675 123.649 120.300 -0.543 0.000 2.315 298 Y HA -0.130 4.420 4.550 0.000 0.000 0.288 298 Y C 1.915 177.702 175.900 -0.189 0.000 1.154 298 Y CA 2.162 60.105 58.100 -0.262 0.000 1.229 298 Y CB -0.181 38.283 38.460 0.007 0.000 0.980 298 Y HN 0.534 nan 8.280 nan 0.000 0.540 299 A N -0.064 122.665 122.820 -0.151 0.000 1.972 299 A HA -0.193 4.127 4.320 0.000 0.000 0.219 299 A C 2.071 179.517 177.584 -0.230 0.000 1.169 299 A CA 1.671 53.596 52.037 -0.187 0.000 0.635 299 A CB -0.621 18.317 19.000 -0.102 0.000 0.810 299 A HN 0.603 nan 8.150 nan 0.000 0.446 300 E N -1.484 118.563 120.200 -0.255 0.000 2.333 300 E HA -0.141 4.209 4.350 0.000 0.000 0.198 300 E C 0.170 176.533 176.600 -0.394 0.000 1.007 300 E CA 0.590 56.807 56.400 -0.306 0.000 0.845 300 E CB -0.073 29.461 29.700 -0.278 0.000 0.766 300 E HN 0.533 nan 8.360 nan 0.000 0.507 301 D N -0.762 119.445 120.400 -0.321 0.000 3.099 301 D HA -0.178 4.462 4.640 0.000 0.000 0.213 301 D C -0.730 175.485 176.300 -0.142 0.000 1.121 301 D CA 0.336 54.180 54.000 -0.259 0.000 0.951 301 D CB -1.218 39.486 40.800 -0.159 0.000 1.102 301 D HN 0.157 nan 8.370 nan 0.000 0.423 302 L N 1.295 122.463 121.223 -0.092 0.000 2.282 302 L HA 0.333 4.673 4.340 0.000 0.000 0.287 302 L C 0.543 177.523 176.870 0.185 0.000 1.075 302 L CA -0.334 54.558 54.840 0.087 0.000 0.839 302 L CB 0.097 42.262 42.059 0.177 0.000 1.219 302 L HN -0.059 nan 8.230 nan 0.000 0.434 303 R N 4.673 125.188 120.500 0.026 0.000 2.536 303 R HA 0.336 4.676 4.340 0.000 0.000 0.279 303 R C -1.699 174.237 176.300 -0.607 0.000 1.001 303 R CA -1.766 54.299 56.100 -0.057 0.000 1.027 303 R CB 0.597 30.885 30.300 -0.020 0.000 1.096 303 R HN 0.359 nan 8.270 nan 0.000 0.502 304 P HA -0.217 nan 4.420 nan 0.000 0.217 304 P C 0.377 176.846 177.300 -1.385 0.000 1.151 304 P CA 1.313 63.210 63.100 -2.005 0.000 0.849 304 P CB 0.072 31.107 31.700 -1.107 0.000 0.787 308 Q N 2.967 122.564 119.800 -0.337 0.000 3.026 308 Q HA 0.238 4.578 4.340 0.000 0.000 0.258 308 Q C -0.300 175.669 176.000 -0.052 0.000 1.388 308 Q CA 0.507 56.225 55.803 -0.141 0.000 1.000 308 Q CB 0.193 28.784 28.738 -0.245 0.000 1.634 308 Q HN -0.088 nan 8.270 nan 0.000 0.571 309 K N 0.353 120.777 120.400 0.040 0.000 2.422 309 K HA 0.607 4.927 4.320 0.000 0.000 0.251 309 K C 0.376 177.025 176.600 0.082 0.000 0.933 309 K CA -0.107 56.220 56.287 0.066 0.000 0.798 309 K CB 2.095 34.671 32.500 0.127 0.000 1.238 309 K HN 0.482 nan 8.250 nan 0.000 0.428 310 G N 2.424 111.255 108.800 0.052 0.000 2.531 310 G HA2 -0.315 3.645 3.960 0.000 0.000 0.274 310 G HA3 -0.315 3.645 3.960 0.000 0.000 0.274 310 G C 0.230 175.157 174.900 0.045 0.000 1.159 310 G CA 0.145 45.274 45.100 0.048 0.000 0.969 310 G HN 0.781 nan 8.290 nan 0.000 0.554 311 I N -0.008 120.593 120.570 0.051 0.000 3.060 311 I HA 0.576 4.746 4.170 0.000 0.000 0.285 311 I C 0.527 176.677 176.117 0.055 0.000 1.190 311 I CA -0.424 60.905 61.300 0.048 0.000 1.363 311 I CB 0.379 38.409 38.000 0.051 0.000 1.396 311 I HN 0.604 nan 8.210 nan 0.000 0.607 312 E N 3.019 123.247 120.200 0.047 0.000 2.392 312 E HA 0.189 4.539 4.350 0.000 0.000 0.264 312 E C -0.905 175.731 176.600 0.060 0.000 1.024 312 E CA -0.028 56.402 56.400 0.050 0.000 0.903 312 E CB 0.763 30.486 29.700 0.038 0.000 0.963 312 E HN 0.454 nan 8.360 nan 0.000 0.432 313 K N 2.097 122.542 120.400 0.075 0.000 2.318 313 K HA 0.344 4.664 4.320 0.000 0.000 0.249 313 K C -0.644 175.996 176.600 0.067 0.000 0.942 313 K CA -0.933 55.398 56.287 0.073 0.000 0.808 313 K CB 1.542 34.101 32.500 0.097 0.000 1.189 313 K HN 0.110 nan 8.250 nan 0.000 0.428 314 K N 1.315 121.741 120.400 0.044 0.000 2.098 314 K HA 0.369 4.690 4.320 0.000 0.000 0.261 314 K C -0.246 176.362 176.600 0.013 0.000 0.987 314 K CA -0.430 55.880 56.287 0.038 0.000 0.916 314 K CB 1.658 34.178 32.500 0.034 0.000 1.039 314 K HN 0.845 nan 8.250 nan 0.000 0.455 315 T N -2.401 112.167 114.554 0.023 0.000 2.876 315 T HA 0.556 4.906 4.350 0.000 0.000 0.289 315 T C -0.427 174.253 174.700 -0.034 0.000 1.014 315 T CA -0.857 61.234 62.100 -0.015 0.000 0.986 315 T CB 1.371 70.320 68.868 0.134 0.000 1.021 315 T HN 0.106 nan 8.240 nan 0.000 0.458 316 V N 2.697 122.561 119.914 -0.083 0.000 2.407 316 V HA 0.551 4.671 4.120 0.000 0.000 0.291 316 V C 0.224 176.224 176.094 -0.156 0.000 1.018 316 V CA -0.975 61.257 62.300 -0.114 0.000 0.842 316 V CB 1.429 33.186 31.823 -0.109 0.000 0.996 316 V HN 0.973 nan 8.190 nan 0.000 0.426 317 R N 4.450 124.842 120.500 -0.180 0.000 2.254 317 R HA 0.697 5.037 4.340 0.000 0.000 0.318 317 R C -1.409 174.749 176.300 -0.237 0.000 1.031 317 R CA -0.465 55.539 56.100 -0.159 0.000 0.905 317 R CB 0.863 31.021 30.300 -0.238 0.000 1.050 317 R HN 0.653 nan 8.270 nan 0.000 0.456 318 I N 2.727 123.144 120.570 -0.255 0.000 2.418 318 I HA 0.312 4.482 4.170 0.000 0.000 0.287 318 I C -0.573 175.436 176.117 -0.179 0.000 1.008 318 I CA -0.082 60.996 61.300 -0.370 0.000 1.104 318 I CB 2.062 39.611 38.000 -0.751 0.000 1.264 318 I HN 0.529 nan 8.210 nan 0.000 0.438 319 S N 6.668 122.279 115.700 -0.147 0.000 2.535 319 S HA 0.555 5.025 4.470 0.000 0.000 0.272 319 S C -2.694 171.847 174.600 -0.098 0.000 1.149 319 S CA -1.029 57.127 58.200 -0.074 0.000 0.888 319 S CB 2.068 65.272 63.200 0.006 0.000 1.110 319 S HN 0.375 nan 8.310 nan 0.000 0.463 320 P HA 0.201 nan 4.420 nan 0.000 0.243 320 P C -0.246 177.022 177.300 -0.054 0.000 1.668 320 P CA 0.100 63.147 63.100 -0.089 0.000 0.898 320 P CB -0.954 30.701 31.700 -0.076 0.000 1.637 321 T N -4.205 110.325 114.554 -0.041 0.000 2.932 321 T HA 0.339 4.690 4.350 0.000 0.000 0.318 321 T C -0.415 174.275 174.700 -0.017 0.000 1.265 321 T CA -0.722 61.367 62.100 -0.019 0.000 1.036 321 T CB 1.147 70.014 68.868 -0.001 0.000 1.209 321 T HN -0.222 nan 8.240 nan 0.000 0.484 322 V N 2.923 122.830 119.914 -0.012 0.000 2.655 322 V HA 0.202 4.322 4.120 0.000 0.000 0.300 322 V C 1.097 177.187 176.094 -0.006 0.000 1.044 322 V CA -0.540 61.751 62.300 -0.014 0.000 1.095 322 V CB 0.308 32.125 31.823 -0.010 0.000 0.952 322 V HN 1.015 nan 8.190 nan 0.000 0.485 323 N N 7.291 125.980 118.700 -0.019 0.000 2.386 323 N HA 0.010 4.750 4.740 0.000 0.000 0.273 323 N C -0.989 174.519 175.510 -0.003 0.000 1.331 323 N CA -1.183 51.860 53.050 -0.011 0.000 0.891 323 N CB 0.819 39.262 38.487 -0.072 0.000 1.139 323 N HN 0.437 nan 8.380 nan 0.000 0.487 324 P HA 0.049 nan 4.420 nan 0.000 0.245 324 P C 0.265 177.560 177.300 -0.007 0.000 1.206 324 P CA 0.659 63.767 63.100 0.013 0.000 0.781 324 P CB -0.043 31.679 31.700 0.036 0.000 0.994 325 I N -3.725 116.828 120.570 -0.027 0.000 2.998 325 I HA 0.405 4.575 4.170 0.000 0.000 0.338 325 I C -1.869 174.198 176.117 -0.084 0.000 1.413 325 I CA -2.509 58.737 61.300 -0.090 0.000 0.880 325 I CB 1.088 38.936 38.000 -0.253 0.000 2.051 325 I HN -0.332 nan 8.210 nan 0.000 0.561 326 P HA -0.211 nan 4.420 nan 0.000 0.221 326 P C 1.519 178.785 177.300 -0.056 0.000 1.145 326 P CA 1.226 64.288 63.100 -0.063 0.000 0.795 326 P CB 0.105 31.771 31.700 -0.055 0.000 0.775 327 R N 0.088 120.552 120.500 -0.060 0.000 2.120 327 R HA -0.075 4.265 4.340 0.000 0.000 0.234 327 R C 1.738 177.998 176.300 -0.066 0.000 1.123 327 R CA 1.380 57.447 56.100 -0.055 0.000 0.975 327 R CB -0.221 30.049 30.300 -0.049 0.000 0.866 327 R HN 0.073 nan 8.270 nan 0.000 0.446 328 V N -1.216 118.637 119.914 -0.102 0.000 2.788 328 V HA 0.049 4.169 4.120 0.000 0.000 0.241 328 V C -0.192 175.877 176.094 -0.042 0.000 1.083 328 V CA 0.403 62.624 62.300 -0.133 0.000 1.103 328 V CB 0.181 31.803 31.823 -0.335 0.000 0.800 328 V HN 0.192 nan 8.190 nan 0.000 0.476 329 Y N 1.989 122.179 120.300 -0.183 0.000 2.327 329 Y HA 0.573 5.123 4.550 0.000 0.000 0.325 329 Y C -0.230 175.616 175.900 -0.089 0.000 0.999 329 Y CA -1.948 56.073 58.100 -0.132 0.000 1.195 329 Y CB 0.952 39.325 38.460 -0.144 0.000 1.132 329 Y HN 0.056 nan 8.280 nan 0.000 0.455 330 R N 7.421 127.918 120.500 -0.005 0.000 2.335 330 R HA 0.337 4.677 4.340 0.000 0.000 0.302 330 R C -2.599 173.577 176.300 -0.207 0.000 1.147 330 R CA -1.745 54.261 56.100 -0.157 0.000 1.111 330 R CB 0.945 31.206 30.300 -0.066 0.000 1.122 330 R HN 0.450 nan 8.270 nan 0.000 0.557 331 P HA -0.002 nan 4.420 nan 0.000 0.269 331 P C -0.115 177.094 177.300 -0.152 0.000 1.209 331 P CA -0.130 62.753 63.100 -0.362 0.000 0.776 331 P CB 1.104 32.462 31.700 -0.570 0.000 0.876 332 D N 0.233 120.597 120.400 -0.061 0.000 2.144 332 D HA -0.029 4.611 4.640 0.000 0.000 0.200 332 D C 0.371 176.648 176.300 -0.039 0.000 0.978 332 D CA 1.426 55.408 54.000 -0.030 0.000 0.833 332 D CB 0.304 41.107 40.800 0.004 0.000 0.961 332 D HN 0.123 nan 8.370 nan 0.000 0.470 333 V N 1.142 121.023 119.914 -0.055 0.000 2.577 333 V HA 0.194 4.314 4.120 0.000 0.000 0.303 333 V C -0.792 175.242 176.094 -0.101 0.000 1.042 333 V CA -0.904 61.369 62.300 -0.045 0.000 0.872 333 V CB 2.482 34.309 31.823 0.007 0.000 0.998 333 V HN -0.142 nan 8.190 nan 0.000 0.423 334 D N 3.372 123.715 120.400 -0.095 0.000 2.425 334 D HA 0.481 5.121 4.640 0.000 0.000 0.240 334 D C -0.833 175.423 176.300 -0.073 0.000 1.080 334 D CA -0.149 53.775 54.000 -0.127 0.000 0.836 334 D CB 2.022 42.739 40.800 -0.139 0.000 1.125 334 D HN 0.272 nan 8.370 nan 0.000 0.525 335 V N 4.481 124.328 119.914 -0.113 0.000 2.294 335 V HA 0.249 4.369 4.120 0.000 0.000 0.272 335 V C 0.266 176.297 176.094 -0.104 0.000 1.027 335 V CA -0.852 61.411 62.300 -0.061 0.000 0.823 335 V CB 1.365 33.105 31.823 -0.139 0.000 1.030 335 V HN 0.334 nan 8.190 nan 0.000 0.457 336 V N 4.912 124.803 119.914 -0.039 0.000 2.339 336 V HA 0.631 4.751 4.120 0.000 0.000 0.261 336 V C 0.331 176.317 176.094 -0.179 0.000 1.058 336 V CA 0.445 62.694 62.300 -0.086 0.000 0.897 336 V CB 0.739 32.539 31.823 -0.038 0.000 1.052 336 V HN 1.003 nan 8.190 nan 0.000 0.480 337 T N 2.634 117.007 114.554 -0.302 0.000 2.686 337 T HA 0.196 4.546 4.350 0.000 0.000 0.308 337 T C -1.494 172.974 174.700 -0.385 0.000 1.667 337 T CA -0.706 61.067 62.100 -0.544 0.000 0.987 337 T CB 1.628 69.720 68.868 -1.293 0.000 1.652 337 T HN 0.715 nan 8.240 nan 0.000 0.496 338 D N 0.924 121.095 120.400 -0.382 0.000 2.455 338 D HA 0.195 4.835 4.640 0.000 0.000 0.241 338 D C 1.527 177.726 176.300 -0.169 0.000 1.138 338 D CA 0.250 54.120 54.000 -0.217 0.000 0.877 338 D CB 0.842 41.542 40.800 -0.167 0.000 1.187 338 D HN 0.249 nan 8.370 nan 0.000 0.451 339 V N 3.967 123.832 119.914 -0.080 0.000 2.295 339 V HA -0.213 3.907 4.120 0.000 0.000 0.246 339 V C 2.174 178.311 176.094 0.070 0.000 1.049 339 V CA 1.397 63.696 62.300 -0.001 0.000 1.024 339 V CB -0.689 31.132 31.823 -0.003 0.000 0.648 339 V HN 0.614 nan 8.190 nan 0.000 0.447 340 L N 0.892 122.129 121.223 0.024 0.000 2.046 340 L HA -0.088 4.253 4.340 0.000 0.000 0.208 340 L C 2.479 179.376 176.870 0.045 0.000 1.077 340 L CA 2.348 57.209 54.840 0.035 0.000 0.747 340 L CB -1.073 40.997 42.059 0.018 0.000 0.896 340 L HN 0.231 nan 8.230 nan 0.000 0.432 341 A N -0.782 122.040 122.820 0.004 0.000 1.908 341 A HA -0.304 4.016 4.320 0.000 0.000 0.218 341 A C 2.293 179.947 177.584 0.117 0.000 1.181 341 A CA 2.058 54.108 52.037 0.021 0.000 0.627 341 A CB -1.263 17.645 19.000 -0.152 0.000 0.818 341 A HN 0.593 nan 8.150 nan 0.000 0.445 342 F N 0.852 120.733 119.950 -0.115 0.000 2.102 342 F HA -0.150 4.377 4.527 0.000 0.000 0.298 342 F C 2.150 178.074 175.800 0.207 0.000 1.105 342 F CA 2.047 60.092 58.000 0.075 0.000 1.239 342 F CB -0.504 38.452 39.000 -0.074 0.000 0.991 342 F HN 0.017 nan 8.300 nan 0.000 0.474 343 V N 0.886 120.742 119.914 -0.096 0.000 2.343 343 V HA -0.296 3.824 4.120 0.000 0.000 0.247 343 V C 2.306 178.354 176.094 -0.076 0.000 1.051 343 V CA 2.364 64.561 62.300 -0.172 0.000 1.036 343 V CB -0.826 31.005 31.823 0.014 0.000 0.654 343 V HN 0.388 nan 8.190 nan 0.000 0.451 344 E N -0.614 119.596 120.200 0.017 0.000 2.110 344 E HA -0.266 4.084 4.350 0.000 0.000 0.193 344 E C 2.151 178.782 176.600 0.052 0.000 0.988 344 E CA 1.582 58.006 56.400 0.040 0.000 0.804 344 E CB -0.222 29.523 29.700 0.074 0.000 0.745 344 E HN 0.784 nan 8.360 nan 0.000 0.458 345 H N -0.448 118.653 119.070 0.052 0.000 2.357 345 H HA -0.113 4.443 4.556 0.000 0.000 0.301 345 H C 1.749 177.049 175.328 -0.048 0.000 1.082 345 H CA 1.328 57.408 56.048 0.053 0.000 1.342 345 H CB -0.081 29.814 29.762 0.222 0.000 1.389 345 H HN 0.090 nan 8.280 nan 0.000 0.511 346 F N 1.377 121.167 119.950 -0.265 0.000 2.171 346 F HA -0.124 4.403 4.527 0.000 0.000 0.300 346 F C 2.228 177.817 175.800 -0.352 0.000 1.090 346 F CA 1.279 59.035 58.000 -0.407 0.000 1.293 346 F CB -0.043 38.471 39.000 -0.810 0.000 1.013 346 F HN 0.212 nan 8.300 nan 0.000 0.486 347 E N -0.375 119.711 120.200 -0.191 0.000 2.058 347 E HA -0.178 4.172 4.350 0.000 0.000 0.194 347 E C 2.212 178.636 176.600 -0.294 0.000 0.997 347 E CA 1.950 58.218 56.400 -0.220 0.000 0.801 347 E CB -0.709 28.924 29.700 -0.112 0.000 0.746 347 E HN 0.354 nan 8.360 nan 0.000 0.450 348 T N 1.172 115.553 114.554 -0.287 0.000 2.708 348 T HA -0.108 4.242 4.350 0.000 0.000 0.266 348 T C 1.950 176.424 174.700 -0.376 0.000 1.037 348 T CA 1.531 63.453 62.100 -0.297 0.000 1.146 348 T CB -0.222 68.470 68.868 -0.293 0.000 0.865 348 T HN 0.263 nan 8.240 nan 0.000 0.435 349 A N 1.516 124.040 122.820 -0.494 0.000 2.015 349 A HA -0.052 4.268 4.320 0.000 0.000 0.219 349 A C 2.344 179.504 177.584 -0.707 0.000 1.163 349 A CA 1.826 53.567 52.037 -0.495 0.000 0.646 349 A CB -0.727 18.011 19.000 -0.437 0.000 0.806 349 A HN 0.605 nan 8.150 nan 0.000 0.448 350 T N -4.272 109.715 114.554 -0.946 0.000 3.134 350 T HA 0.546 4.896 4.350 0.000 0.000 0.260 350 T C 1.444 175.687 174.700 -0.761 0.000 1.027 350 T CA 0.742 61.942 62.100 -1.500 0.000 0.913 350 T CB 0.290 68.217 68.868 -1.569 0.000 1.046 350 T HN 0.424 nan 8.240 nan 0.000 0.553 351 A N 2.422 124.987 122.820 -0.426 0.000 1.978 351 A HA -0.049 4.271 4.320 0.000 0.000 0.220 351 A C 2.483 180.016 177.584 -0.085 0.000 1.170 351 A CA 1.857 53.769 52.037 -0.209 0.000 0.636 351 A CB -0.857 18.046 19.000 -0.161 0.000 0.810 351 A HN 0.784 nan 8.150 nan 0.000 0.448 352 S N -1.801 113.894 115.700 -0.008 0.000 2.556 352 S HA 0.348 4.818 4.470 0.000 0.000 0.216 352 S C 0.002 174.739 174.600 0.228 0.000 0.970 352 S CA -0.643 57.614 58.200 0.095 0.000 0.912 352 S CB -0.339 62.911 63.200 0.082 0.000 0.790 352 S HN 0.108 nan 8.310 nan 0.000 0.504 353 F N 3.157 123.058 119.950 -0.080 0.000 2.471 353 F HA 0.582 5.109 4.527 0.000 0.000 0.353 353 F C 1.437 177.208 175.800 -0.048 0.000 1.113 353 F CA -1.164 56.794 58.000 -0.070 0.000 1.262 353 F CB -0.003 38.943 39.000 -0.091 0.000 1.146 353 F HN 0.200 nan 8.300 nan 0.000 0.578 354 G N 1.307 110.159 108.800 0.088 0.000 2.467 354 G HA2 0.474 4.434 3.960 0.000 0.000 0.257 354 G HA3 0.474 4.434 3.960 0.000 0.000 0.257 354 G C -0.474 174.462 174.900 0.061 0.000 1.227 354 G CA -0.422 44.705 45.100 0.045 0.000 0.835 354 G HN 0.915 nan 8.290 nan 0.000 0.556 355 A N 1.997 124.848 122.820 0.052 0.000 2.483 355 A HA 0.442 4.762 4.320 0.000 0.000 0.238 355 A C 0.733 178.342 177.584 0.042 0.000 1.070 355 A CA -0.055 52.015 52.037 0.056 0.000 0.770 355 A CB 0.349 19.378 19.000 0.048 0.000 1.008 355 A HN 0.555 nan 8.150 nan 0.000 0.497 356 K N 1.299 121.730 120.400 0.052 0.000 2.090 356 K HA 0.241 4.561 4.320 0.000 0.000 0.250 356 K C -0.191 176.443 176.600 0.057 0.000 1.004 356 K CA -0.416 55.893 56.287 0.037 0.000 0.919 356 K CB 0.509 33.039 32.500 0.050 0.000 1.045 356 K HN 0.699 nan 8.250 nan 0.000 0.471 357 Q N 2.319 122.152 119.800 0.054 0.000 2.314 357 Q HA 0.103 4.443 4.340 0.000 0.000 0.257 357 Q C 0.169 176.322 176.000 0.255 0.000 0.975 357 Q CA -0.149 55.730 55.803 0.127 0.000 0.933 357 Q CB 0.941 29.757 28.738 0.130 0.000 1.195 357 Q HN 0.465 nan 8.270 nan 0.000 0.426 358 R N 2.226 122.863 120.500 0.228 0.000 2.539 358 R HA 0.244 4.584 4.340 0.000 0.000 0.275 358 R C 0.356 176.822 176.300 0.277 0.000 1.077 358 R CA -0.625 55.637 56.100 0.271 0.000 1.097 358 R CB 0.481 30.866 30.300 0.142 0.000 1.018 358 R HN 0.564 nan 8.270 nan 0.000 0.483 359 H N 0.061 119.204 119.070 0.121 0.000 2.603 359 H HA 0.143 4.699 4.556 0.000 0.000 0.370 359 H C -1.006 174.368 175.328 0.077 0.000 1.225 359 H CA -0.698 55.298 56.048 -0.088 0.000 1.410 359 H CB 0.820 30.407 29.762 -0.291 0.000 1.495 359 H HN 0.692 nan 8.280 nan 0.000 0.602 360 D N 1.576 121.957 120.400 -0.032 0.000 2.313 360 D HA 0.146 4.786 4.640 0.000 0.000 0.239 360 D C 0.802 177.026 176.300 -0.127 0.000 1.142 360 D CA -0.667 53.283 54.000 -0.083 0.000 0.847 360 D CB -0.004 40.782 40.800 -0.024 0.000 1.082 360 D HN 0.641 nan 8.370 nan 0.000 0.480 361 I N 0.352 120.753 120.570 -0.282 0.000 4.009 361 I HA 0.313 4.483 4.170 0.000 0.000 0.331 361 I C 1.065 177.051 176.117 -0.219 0.000 1.462 361 I CA -0.458 60.680 61.300 -0.270 0.000 1.117 361 I CB 0.483 38.195 38.000 -0.480 0.000 1.091 361 I HN 0.060 nan 8.210 nan 0.000 0.410 362 E N 2.417 122.516 120.200 -0.168 0.000 2.130 362 E HA -0.147 4.203 4.350 0.000 0.000 0.196 362 E C -0.380 176.168 176.600 -0.088 0.000 0.998 362 E CA 1.624 57.949 56.400 -0.125 0.000 0.806 362 E CB -1.624 28.027 29.700 -0.081 0.000 0.738 362 E HN 0.488 nan 8.360 nan 0.000 0.459 363 P HA -0.131 nan 4.420 nan 0.000 0.218 363 P C 1.657 178.857 177.300 -0.165 0.000 1.148 363 P CA 0.762 63.883 63.100 0.035 0.000 0.822 363 P CB -0.015 31.832 31.700 0.244 0.000 0.784 364 L N -0.421 120.713 121.223 -0.148 0.000 2.068 364 L HA 0.005 4.345 4.340 0.000 0.000 0.204 364 L C 2.302 178.982 176.870 -0.317 0.000 1.076 364 L CA 1.668 56.312 54.840 -0.328 0.000 0.753 364 L CB -0.944 41.051 42.059 -0.107 0.000 0.910 364 L HN -0.256 nan 8.230 nan 0.000 0.439 365 R N -0.260 120.102 120.500 -0.230 0.000 2.103 365 R HA -0.164 4.176 4.340 0.000 0.000 0.242 365 R C 2.255 178.470 176.300 -0.142 0.000 1.142 365 R CA 1.473 57.464 56.100 -0.181 0.000 0.960 365 R CB -0.742 29.454 30.300 -0.173 0.000 0.858 365 R HN 0.548 nan 8.270 nan 0.000 0.439 366 A N 1.024 123.755 122.820 -0.147 0.000 1.902 366 A HA -0.214 4.106 4.320 0.000 0.000 0.217 366 A C 2.133 179.650 177.584 -0.112 0.000 1.181 366 A CA 1.617 53.591 52.037 -0.104 0.000 0.623 366 A CB -0.394 18.556 19.000 -0.084 0.000 0.818 366 A HN 0.131 nan 8.150 nan 0.000 0.443 367 R N 0.136 120.486 120.500 -0.249 0.000 2.081 367 R HA -0.000 4.340 4.340 0.000 0.000 0.235 367 R C 1.792 178.074 176.300 -0.030 0.000 1.131 367 R CA 1.754 57.712 56.100 -0.237 0.000 0.960 367 R CB -0.733 29.125 30.300 -0.735 0.000 0.856 367 R HN 0.561 nan 8.270 nan 0.000 0.436 368 I N 0.202 120.711 120.570 -0.102 0.000 2.226 368 I HA -0.247 3.923 4.170 0.000 0.000 0.245 368 I C 2.278 178.514 176.117 0.199 0.000 1.100 368 I CA 1.398 62.745 61.300 0.078 0.000 1.374 368 I CB -0.422 37.548 38.000 -0.049 0.000 1.057 368 I HN 0.303 nan 8.210 nan 0.000 0.413 369 A N 0.130 122.999 122.820 0.082 0.000 1.933 369 A HA -0.271 4.049 4.320 0.000 0.000 0.218 369 A C 2.327 179.962 177.584 0.085 0.000 1.175 369 A CA 1.905 53.987 52.037 0.075 0.000 0.628 369 A CB -0.648 18.367 19.000 0.024 0.000 0.814 369 A HN 0.517 nan 8.150 nan 0.000 0.444 370 E N -1.098 119.156 120.200 0.090 0.000 2.058 370 E HA -0.212 4.138 4.350 0.000 0.000 0.194 370 E C 1.707 178.342 176.600 0.059 0.000 0.997 370 E CA 1.375 57.816 56.400 0.069 0.000 0.801 370 E CB -0.260 29.479 29.700 0.065 0.000 0.746 370 E HN 0.550 nan 8.360 nan 0.000 0.450 371 F N 1.041 120.925 119.950 -0.111 0.000 2.069 371 F HA -0.204 4.323 4.527 0.000 0.000 0.298 371 F C 2.383 178.097 175.800 -0.144 0.000 1.113 371 F CA 1.280 59.105 58.000 -0.291 0.000 1.214 371 F CB -0.539 38.177 39.000 -0.473 0.000 0.978 371 F HN 0.055 nan 8.300 nan 0.000 0.474 372 L N -0.766 120.483 121.223 0.043 0.000 2.079 372 L HA -0.226 4.114 4.340 0.000 0.000 0.210 372 L C 2.436 179.337 176.870 0.052 0.000 1.081 372 L CA 1.316 56.166 54.840 0.018 0.000 0.752 372 L CB -0.894 41.199 42.059 0.057 0.000 0.896 372 L HN 0.146 nan 8.230 nan 0.000 0.433 373 A N -1.542 121.308 122.820 0.050 0.000 2.208 373 A HA -0.082 4.238 4.320 0.000 0.000 0.209 373 A C 0.690 178.293 177.584 0.031 0.000 1.161 373 A CA -0.119 51.938 52.037 0.035 0.000 0.782 373 A CB -0.416 18.599 19.000 0.025 0.000 0.816 373 A HN 0.295 nan 8.150 nan 0.000 0.477 374 D N 1.246 121.676 120.400 0.049 0.000 2.854 374 D HA -0.044 4.596 4.640 0.000 0.000 0.243 374 D C -1.349 174.975 176.300 0.039 0.000 1.243 374 D CA -0.746 53.287 54.000 0.056 0.000 0.883 374 D CB 0.847 41.745 40.800 0.163 0.000 1.145 374 D HN 0.245 nan 8.370 nan 0.000 0.555 375 P HA 0.013 nan 4.420 nan 0.000 0.251 375 P C 0.301 177.563 177.300 -0.062 0.000 1.223 375 P CA 0.003 63.089 63.100 -0.024 0.000 0.796 375 P CB 0.236 31.918 31.700 -0.029 0.000 1.068 376 E N 0.752 120.884 120.200 -0.113 0.000 2.392 376 E HA 0.090 4.440 4.350 0.000 0.000 0.264 376 E C -0.542 175.910 176.600 -0.245 0.000 1.024 376 E CA 0.165 56.403 56.400 -0.271 0.000 0.903 376 E CB 0.253 29.619 29.700 -0.556 0.000 0.963 376 E HN -0.087 nan 8.360 nan 0.000 0.432 377 T N 4.923 119.344 114.554 -0.222 0.000 2.781 377 T HA 0.183 4.533 4.350 0.000 0.000 0.305 377 T C -0.877 173.726 174.700 -0.163 0.000 1.001 377 T CA -0.292 61.739 62.100 -0.116 0.000 0.950 377 T CB -0.173 68.657 68.868 -0.063 0.000 0.955 377 T HN 0.278 nan 8.240 nan 0.000 0.471 378 Y N 1.525 121.792 120.300 -0.054 0.000 2.457 378 Y HA 0.075 4.625 4.550 0.000 0.000 0.341 378 Y C 1.890 177.762 175.900 -0.046 0.000 1.240 378 Y CA -0.310 57.761 58.100 -0.048 0.000 1.437 378 Y CB 0.547 38.972 38.460 -0.057 0.000 1.328 378 Y HN 0.667 nan 8.280 nan 0.000 0.588 379 E N 0.385 120.649 120.200 0.106 0.000 2.106 379 E HA -0.174 4.176 4.350 0.000 0.000 0.192 379 E C 0.385 177.006 176.600 0.035 0.000 0.984 379 E CA 1.447 57.873 56.400 0.043 0.000 0.806 379 E CB 0.067 29.786 29.700 0.031 0.000 0.750 379 E HN 0.735 nan 8.360 nan 0.000 0.458 380 D N -0.215 120.212 120.400 0.046 0.000 2.562 380 D HA 0.090 4.730 4.640 0.000 0.000 0.271 380 D C 0.994 177.286 176.300 -0.013 0.000 1.198 380 D CA -0.061 53.941 54.000 0.002 0.000 1.071 380 D CB -1.005 39.783 40.800 -0.020 0.000 1.011 380 D HN 0.030 nan 8.370 nan 0.000 0.327 384 V N 1.882 121.511 119.914 -0.476 0.000 2.407 384 V HA -0.267 3.853 4.120 0.000 0.000 0.248 384 V C 2.119 178.114 176.094 -0.165 0.000 1.055 384 V CA 2.618 64.701 62.300 -0.361 0.000 1.049 384 V CB -0.808 30.682 31.823 -0.554 0.000 0.662 384 V HN 0.842 nan 8.190 nan 0.000 0.455 385 H N 0.250 119.327 119.070 0.011 0.000 2.422 385 H HA -0.174 4.382 4.556 0.000 0.000 0.298 385 H C 2.111 177.344 175.328 -0.159 0.000 1.098 385 H CA 1.617 57.560 56.048 -0.175 0.000 1.315 385 H CB -0.585 28.936 29.762 -0.403 0.000 1.382 385 H HN 0.453 nan 8.280 nan 0.000 0.523 386 Q N 0.696 120.299 119.800 -0.329 0.000 2.119 386 Q HA -0.056 4.284 4.340 0.000 0.000 0.201 386 Q C 2.509 178.452 176.000 -0.096 0.000 0.972 386 Q CA 1.352 57.058 55.803 -0.161 0.000 0.847 386 Q CB 0.097 28.725 28.738 -0.183 0.000 0.903 386 Q HN 0.407 nan 8.270 nan 0.000 0.433 387 V N 1.038 120.880 119.914 -0.120 0.000 2.295 387 V HA -0.253 3.867 4.120 0.000 0.000 0.246 387 V C 2.105 178.200 176.094 0.003 0.000 1.049 387 V CA 1.616 63.874 62.300 -0.071 0.000 1.024 387 V CB -0.405 31.356 31.823 -0.103 0.000 0.648 387 V HN 0.331 nan 8.190 nan 0.000 0.447 388 I N 0.333 120.929 120.570 0.043 0.000 2.315 388 I HA -0.228 3.942 4.170 0.000 0.000 0.248 388 I C 2.311 178.493 176.117 0.109 0.000 1.117 388 I CA 1.906 63.279 61.300 0.122 0.000 1.404 388 I CB -0.424 37.701 38.000 0.209 0.000 1.071 388 I HN 0.376 nan 8.210 nan 0.000 0.419 389 D N 0.663 121.099 120.400 0.060 0.000 2.123 389 D HA -0.119 4.521 4.640 0.000 0.000 0.196 389 D C 1.336 177.676 176.300 0.068 0.000 0.992 389 D CA 0.987 55.023 54.000 0.060 0.000 0.833 389 D CB 0.143 40.962 40.800 0.031 0.000 0.954 389 D HN 0.202 nan 8.370 nan 0.000 0.455 393 T N 2.499 117.120 114.554 0.112 0.000 2.635 393 T HA -0.021 4.329 4.350 0.000 0.000 0.267 393 T C 1.285 176.049 174.700 0.107 0.000 1.040 393 T CA 1.338 63.492 62.100 0.090 0.000 1.156 393 T CB -0.111 68.801 68.868 0.073 0.000 0.863 393 T HN -0.020 nan 8.240 nan 0.000 0.430 397 E N 0.894 121.112 120.200 0.029 0.000 2.047 397 E HA -0.078 4.272 4.350 0.000 0.000 0.191 397 E C 1.889 178.502 176.600 0.023 0.000 0.987 397 E CA 1.297 57.716 56.400 0.032 0.000 0.799 397 E CB 0.019 29.748 29.700 0.048 0.000 0.752 397 E HN 0.301 nan 8.360 nan 0.000 0.449 398 A N 1.217 124.051 122.820 0.023 0.000 1.970 398 A HA 0.208 4.528 4.320 0.000 0.000 0.216 398 A C 1.333 178.907 177.584 -0.016 0.000 1.170 398 A CA 0.780 52.827 52.037 0.017 0.000 0.645 398 A CB -0.052 18.977 19.000 0.049 0.000 0.816 398 A HN 0.224 nan 8.150 nan 0.000 0.447 399 A N 0.571 123.364 122.820 -0.045 0.000 2.310 399 A HA 0.534 4.854 4.320 0.000 0.000 0.299 399 A C -0.099 177.474 177.584 -0.019 0.000 1.147 399 A CA -0.613 51.396 52.037 -0.047 0.000 0.818 399 A CB 0.288 19.240 19.000 -0.080 0.000 1.096 399 A HN 0.311 nan 8.150 nan 0.000 0.495 400 E N 1.251 121.444 120.200 -0.012 0.000 2.418 400 E HA 0.153 4.503 4.350 0.000 0.000 0.261 400 E C -2.256 174.344 176.600 -0.001 0.000 1.070 400 E CA -1.434 54.965 56.400 -0.002 0.000 0.931 400 E CB -0.322 29.379 29.700 0.002 0.000 0.954 400 E HN 0.337 nan 8.360 nan 0.000 0.439 401 P HA 0.008 nan 4.420 nan 0.000 0.262 401 P C 0.527 177.834 177.300 0.011 0.000 1.182 401 P CA 0.977 64.083 63.100 0.009 0.000 0.761 401 P CB 0.334 32.041 31.700 0.012 0.000 0.795 402 G N 1.320 110.129 108.800 0.014 0.000 2.153 402 G HA2 -0.241 3.720 3.960 0.000 0.000 0.252 402 G HA3 -0.241 3.720 3.960 0.000 0.000 0.252 402 G C -0.021 174.887 174.900 0.014 0.000 0.994 402 G CA -0.029 45.080 45.100 0.016 0.000 0.698 402 G HN 0.571 nan 8.290 nan 0.000 0.521 403 E N -1.173 119.031 120.200 0.006 0.000 2.393 403 E HA 0.661 5.011 4.350 0.000 0.000 0.265 403 E C 0.357 176.947 176.600 -0.016 0.000 0.941 403 E CA -0.471 55.930 56.400 0.001 0.000 0.801 403 E CB 2.050 31.749 29.700 -0.002 0.000 1.313 403 E HN 1.535 nan 8.360 nan 0.000 0.435 404 G N 0.249 109.034 108.800 -0.026 0.000 2.675 404 G HA2 -0.067 3.893 3.960 0.000 0.000 0.686 404 G HA3 -0.067 3.893 3.960 0.000 0.000 0.686 404 G C -0.875 174.008 174.900 -0.028 0.000 1.215 404 G CA -0.689 44.370 45.100 -0.067 0.000 0.777 404 G HN 0.394 nan 8.290 nan 0.000 0.638 405 T N 1.228 115.756 114.554 -0.044 0.000 2.928 405 T HA 0.624 4.974 4.350 0.000 0.000 0.296 405 T C 0.173 174.892 174.700 0.031 0.000 1.000 405 T CA -0.457 61.654 62.100 0.019 0.000 0.989 405 T CB 1.451 70.337 68.868 0.030 0.000 1.005 405 T HN 0.668 nan 8.240 nan 0.000 0.442 406 I N 3.024 123.662 120.570 0.113 0.000 2.339 406 I HA 0.450 4.620 4.170 0.000 0.000 0.290 406 I C -0.358 175.825 176.117 0.110 0.000 0.994 406 I CA -0.960 60.460 61.300 0.200 0.000 1.191 406 I CB 1.477 39.680 38.000 0.338 0.000 1.343 406 I HN 0.277 nan 8.210 nan 0.000 0.458 407 V N 5.055 125.019 119.914 0.084 0.000 2.483 407 V HA 0.391 4.511 4.120 0.000 0.000 0.295 407 V C 0.056 176.184 176.094 0.057 0.000 1.035 407 V CA -0.398 61.890 62.300 -0.020 0.000 0.896 407 V CB 1.788 33.614 31.823 0.005 0.000 0.986 407 V HN 0.757 nan 8.190 nan 0.000 0.447 408 S N 2.801 118.487 115.700 -0.024 0.000 2.502 408 S HA 0.364 4.834 4.470 0.000 0.000 0.304 408 S C -0.447 174.312 174.600 0.266 0.000 1.097 408 S CA -0.681 57.635 58.200 0.192 0.000 1.045 408 S CB 1.280 64.610 63.200 0.216 0.000 1.019 408 S HN 0.884 nan 8.310 nan 0.000 0.481 409 D N 2.148 122.813 120.400 0.441 0.000 2.356 409 D HA 0.232 4.872 4.640 0.000 0.000 0.258 409 D C -0.078 176.397 176.300 0.291 0.000 1.279 409 D CA -0.125 54.160 54.000 0.475 0.000 1.016 409 D CB 0.478 41.593 40.800 0.525 0.000 1.107 409 D HN 0.427 nan 8.370 nan 0.000 0.544 410 I N -0.326 120.408 120.570 0.274 0.000 2.412 410 I HA 0.603 4.773 4.170 0.000 0.000 0.296 410 I C 1.005 177.158 176.117 0.061 0.000 0.987 410 I CA -0.283 61.026 61.300 0.015 0.000 1.180 410 I CB 0.438 38.493 38.000 0.091 0.000 1.340 410 I HN 0.575 nan 8.210 nan 0.000 0.455 411 G N 3.990 112.652 108.800 -0.230 0.000 2.343 411 G HA2 0.087 4.047 3.960 0.000 0.000 0.289 411 G HA3 0.087 4.047 3.960 0.000 0.000 0.289 411 G C -0.328 174.486 174.900 -0.143 0.000 1.295 411 G CA -0.647 44.450 45.100 -0.005 0.000 0.869 411 G HN 0.303 nan 8.290 nan 0.000 0.522 412 F N 0.939 120.823 119.950 -0.111 0.000 2.126 412 F HA 0.023 4.550 4.527 0.000 0.000 0.299 412 F C 2.612 178.411 175.800 -0.001 0.000 1.096 412 F CA 2.344 60.242 58.000 -0.170 0.000 1.255 412 F CB -0.638 38.137 39.000 -0.374 0.000 0.997 412 F HN 0.461 nan 8.300 nan 0.000 0.479 413 F N 0.444 120.439 119.950 0.074 0.000 2.250 413 F HA -0.130 4.397 4.527 0.000 0.000 0.301 413 F C 2.341 178.208 175.800 0.112 0.000 1.077 413 F CA 1.546 59.585 58.000 0.065 0.000 1.348 413 F CB -1.297 37.768 39.000 0.108 0.000 1.040 413 F HN -0.087 nan 8.300 nan 0.000 0.509 414 R N 0.638 120.459 120.500 -1.133 0.000 2.105 414 R HA -0.189 4.151 4.340 0.000 0.000 0.239 414 R C 2.008 178.008 176.300 -0.500 0.000 1.135 414 R CA 2.052 57.667 56.100 -0.808 0.000 0.967 414 R CB -0.995 28.743 30.300 -0.937 0.000 0.861 414 R HN 0.496 nan 8.270 nan 0.000 0.442 415 H N -1.208 117.658 119.070 -0.340 0.000 2.502 415 H HA -0.068 4.488 4.556 0.000 0.000 0.283 415 H C 1.625 176.802 175.328 -0.252 0.000 1.015 415 H CA 0.999 56.836 56.048 -0.352 0.000 1.298 415 H CB -0.094 29.399 29.762 -0.448 0.000 1.411 415 H HN 0.242 nan 8.280 nan 0.000 0.556 416 Y N 0.842 121.075 120.300 -0.112 0.000 2.181 416 Y HA -0.114 4.436 4.550 0.000 0.000 0.288 416 Y C 2.864 178.807 175.900 0.072 0.000 1.146 416 Y CA 1.110 59.278 58.100 0.114 0.000 1.164 416 Y CB -0.703 37.938 38.460 0.302 0.000 0.982 416 Y HN 0.193 nan 8.280 nan 0.000 0.515 417 G N -0.403 108.494 108.800 0.161 0.000 2.440 417 G HA2 -0.240 3.720 3.960 0.000 0.000 0.218 417 G HA3 -0.240 3.720 3.960 0.000 0.000 0.218 417 G C 1.821 176.346 174.900 -0.624 0.000 1.154 417 G CA 1.486 46.566 45.100 -0.033 0.000 0.767 417 G HN 0.292 nan 8.290 nan 0.000 0.552 418 V N 0.795 120.389 119.914 -0.533 0.000 2.343 418 V HA -0.125 3.995 4.120 0.000 0.000 0.247 418 V C 2.896 178.709 176.094 -0.468 0.000 1.051 418 V CA 1.543 63.503 62.300 -0.567 0.000 1.036 418 V CB -0.377 31.196 31.823 -0.417 0.000 0.654 418 V HN 0.344 nan 8.190 nan 0.000 0.451 419 L N -1.861 119.053 121.223 -0.515 0.000 2.109 419 L HA -0.038 4.303 4.340 0.000 0.000 0.207 419 L C 2.081 178.531 176.870 -0.700 0.000 1.086 419 L CA 1.497 55.889 54.840 -0.745 0.000 0.760 419 L CB -0.259 41.032 42.059 -1.280 0.000 0.910 419 L HN 0.303 nan 8.230 nan 0.000 0.437 420 F N -0.794 119.064 119.950 -0.152 0.000 2.740 420 F HA 0.345 4.872 4.527 0.000 0.000 0.304 420 F C 1.329 177.087 175.800 -0.071 0.000 1.098 420 F CA -0.692 57.268 58.000 -0.067 0.000 1.258 420 F CB -0.344 38.684 39.000 0.047 0.000 1.061 420 F HN -0.216 nan 8.300 nan 0.000 0.598 421 A N 1.828 124.629 122.820 -0.031 0.000 2.440 421 A HA 0.298 4.618 4.320 0.000 0.000 0.251 421 A C 0.669 178.247 177.584 -0.011 0.000 1.089 421 A CA -0.393 51.631 52.037 -0.021 0.000 0.779 421 A CB 0.030 18.961 19.000 -0.114 0.000 1.022 421 A HN 0.319 nan 8.150 nan 0.000 0.492 422 R N 1.817 122.364 120.500 0.078 0.000 2.489 422 R HA 0.408 4.748 4.340 0.000 0.000 0.287 422 R C -0.427 175.932 176.300 0.098 0.000 1.053 422 R CA 0.643 56.788 56.100 0.074 0.000 1.036 422 R CB 0.295 30.641 30.300 0.076 0.000 0.966 422 R HN 0.850 nan 8.270 nan 0.000 0.432 423 A N 4.110 126.980 122.820 0.084 0.000 2.499 423 A HA 0.191 4.511 4.320 0.000 0.000 0.280 423 A C -0.873 176.754 177.584 0.071 0.000 1.135 423 A CA -0.725 51.378 52.037 0.110 0.000 0.744 423 A CB 1.453 20.548 19.000 0.157 0.000 1.213 423 A HN 0.853 nan 8.150 nan 0.000 0.434 424 D N 1.506 121.941 120.400 0.058 0.000 2.402 424 D HA 0.174 4.814 4.640 0.000 0.000 0.216 424 D C 0.438 176.757 176.300 0.032 0.000 1.128 424 D CA 0.694 54.719 54.000 0.041 0.000 0.833 424 D CB 0.222 41.041 40.800 0.032 0.000 0.971 424 D HN 0.746 nan 8.370 nan 0.000 0.503 425 Q N -1.601 118.220 119.800 0.036 0.000 2.575 425 Q HA 0.527 4.867 4.340 0.000 0.000 0.290 425 Q C -3.034 172.967 176.000 0.001 0.000 0.963 425 Q CA -2.156 53.657 55.803 0.016 0.000 0.783 425 Q CB 1.423 30.176 28.738 0.025 0.000 1.467 425 Q HN -0.252 nan 8.270 nan 0.000 0.402 426 P HA 0.063 nan 4.420 nan 0.000 0.265 426 P C -0.842 176.383 177.300 -0.125 0.000 1.193 426 P CA 0.305 63.276 63.100 -0.216 0.000 0.765 426 P CB -0.023 31.454 31.700 -0.372 0.000 0.823 427 F N 0.698 120.688 119.950 0.065 0.000 3.084 427 F HA -0.184 4.343 4.527 0.000 0.000 0.286 427 F C 1.639 177.478 175.800 0.064 0.000 0.855 427 F CA 1.155 59.191 58.000 0.060 0.000 1.091 427 F CB -2.617 36.404 39.000 0.034 0.000 1.177 427 F HN 0.487 nan 8.300 nan 0.000 0.542 428 G N -1.201 107.732 108.800 0.223 0.000 2.464 428 G HA2 0.033 3.993 3.960 0.000 0.000 0.217 428 G HA3 0.033 3.993 3.960 0.000 0.000 0.217 428 G C 0.216 175.263 174.900 0.244 0.000 1.138 428 G CA 0.546 45.753 45.100 0.178 0.000 0.793 428 G HN 0.341 nan 8.290 nan 0.000 0.539 429 F N 1.183 121.213 119.950 0.133 0.000 2.402 429 F HA 0.667 5.194 4.527 0.000 0.000 0.355 429 F C -0.846 175.057 175.800 0.171 0.000 1.123 429 F CA -1.540 56.541 58.000 0.134 0.000 1.021 429 F CB 1.173 40.242 39.000 0.114 0.000 1.160 429 F HN -0.243 nan 8.300 nan 0.000 0.451 430 L N 6.239 127.198 121.223 -0.441 0.000 2.333 430 L HA 0.624 4.964 4.340 0.000 0.000 0.280 430 L C -0.087 176.519 176.870 -0.440 0.000 1.004 430 L CA -0.424 54.242 54.840 -0.291 0.000 0.820 430 L CB 2.005 44.005 42.059 -0.099 0.000 1.247 430 L HN 0.686 nan 8.230 nan 0.000 0.416 431 T N 0.534 114.928 114.554 -0.266 0.000 2.816 431 T HA 0.271 4.621 4.350 0.000 0.000 0.299 431 T C -1.087 173.435 174.700 -0.295 0.000 1.230 431 T CA -0.376 61.608 62.100 -0.193 0.000 1.007 431 T CB 2.080 70.788 68.868 -0.268 0.000 1.289 431 T HN 0.394 nan 8.240 nan 0.000 0.508 432 S N 1.266 116.510 115.700 -0.760 0.000 2.409 432 S HA 0.567 5.037 4.470 0.000 0.000 0.308 432 S C 1.024 175.476 174.600 -0.247 0.000 1.080 432 S CA -0.014 57.757 58.200 -0.716 0.000 1.081 432 S CB -0.011 62.485 63.200 -1.173 0.000 1.009 432 S HN 0.785 nan 8.310 nan 0.000 0.502 433 A N 4.497 127.259 122.820 -0.096 0.000 1.984 433 A HA 0.313 4.633 4.320 0.000 0.000 0.214 433 A C 1.898 179.436 177.584 -0.076 0.000 1.173 433 A CA 0.951 52.987 52.037 -0.002 0.000 0.673 433 A CB -0.792 18.160 19.000 -0.081 0.000 0.830 433 A HN 0.833 nan 8.150 nan 0.000 0.453 434 G N -1.476 107.265 108.800 -0.099 0.000 2.437 434 G HA2 -0.102 3.858 3.960 0.000 0.000 0.212 434 G HA3 -0.102 3.858 3.960 0.000 0.000 0.212 434 G C 1.661 176.516 174.900 -0.075 0.000 1.174 434 G CA 1.141 46.184 45.100 -0.095 0.000 0.811 434 G HN 0.509 nan 8.290 nan 0.000 0.537 435 C N 0.089 119.346 119.300 -0.070 0.000 2.541 435 C HA 0.363 4.823 4.460 0.000 0.000 0.284 435 C C 1.712 176.673 174.990 -0.049 0.000 1.341 435 C CA 1.193 60.184 59.018 -0.044 0.000 1.732 435 C CB -0.569 27.168 27.740 -0.004 0.000 2.126 435 C HN 0.482 nan 8.230 nan 0.000 0.505 436 S N 1.429 117.075 115.700 -0.090 0.000 3.628 436 S HA -0.167 4.303 4.470 0.000 0.000 0.373 436 S C 0.089 174.681 174.600 -0.013 0.000 0.968 436 S CA 0.690 58.841 58.200 -0.083 0.000 1.215 436 S CB -1.809 61.369 63.200 -0.037 0.000 0.912 436 S HN 0.874 nan 8.310 nan 0.000 0.495 437 S N 2.106 117.843 115.700 0.062 0.000 2.528 437 S HA 0.517 4.987 4.470 0.000 0.000 0.277 437 S C 0.643 175.422 174.600 0.298 0.000 1.297 437 S CA -0.801 57.475 58.200 0.125 0.000 1.052 437 S CB -0.010 63.301 63.200 0.185 0.000 0.917 437 S HN 0.544 nan 8.310 nan 0.000 0.492 438 F N 3.634 123.614 119.950 0.049 0.000 2.545 438 F HA 0.508 5.035 4.527 0.000 0.000 0.348 438 F C 1.297 177.163 175.800 0.109 0.000 1.163 438 F CA -0.758 57.307 58.000 0.108 0.000 1.331 438 F CB -1.189 37.873 39.000 0.104 0.000 1.138 438 F HN 0.851 nan 8.300 nan 0.000 0.602 439 G N 1.959 110.908 108.800 0.248 0.000 2.199 439 G HA2 -0.409 3.551 3.960 0.000 0.000 0.254 439 G HA3 -0.409 3.551 3.960 0.000 0.000 0.254 439 G C 0.785 175.954 174.900 0.449 0.000 0.982 439 G CA 0.423 45.632 45.100 0.181 0.000 0.632 439 G HN 1.044 nan 8.290 nan 0.000 0.529 440 Y N 1.780 122.311 120.300 0.384 0.000 2.241 440 Y HA 0.021 4.571 4.550 0.000 0.000 0.286 440 Y C 2.531 178.475 175.900 0.073 0.000 1.166 440 Y CA 2.591 60.826 58.100 0.225 0.000 1.203 440 Y CB -0.507 38.068 38.460 0.193 0.000 0.977 440 Y HN 0.281 nan 8.280 nan 0.000 0.529 441 G N 0.759 109.666 108.800 0.180 0.000 2.514 441 G HA2 -0.305 3.655 3.960 0.000 0.000 0.217 441 G HA3 -0.305 3.655 3.960 0.000 0.000 0.217 441 G C 1.748 176.621 174.900 -0.045 0.000 1.198 441 G CA 1.540 46.696 45.100 0.094 0.000 0.780 441 G HN 0.489 nan 8.290 nan 0.000 0.565 442 I N 2.003 122.565 120.570 -0.014 0.000 2.091 442 I HA -0.152 4.018 4.170 0.000 0.000 0.239 442 I C 0.149 176.173 176.117 -0.155 0.000 1.061 442 I CA 1.578 62.849 61.300 -0.049 0.000 1.317 442 I CB -0.950 37.013 38.000 -0.062 0.000 1.031 442 I HN 0.220 nan 8.210 nan 0.000 0.401 443 P HA -0.154 nan 4.420 nan 0.000 0.217 443 P C 1.373 178.411 177.300 -0.435 0.000 1.150 443 P CA 1.960 64.843 63.100 -0.363 0.000 0.832 443 P CB -0.057 31.346 31.700 -0.496 0.000 0.787 444 A N 0.589 123.067 122.820 -0.571 0.000 1.933 444 A HA -0.041 4.279 4.320 0.000 0.000 0.218 444 A C 2.477 179.885 177.584 -0.294 0.000 1.175 444 A CA 2.098 53.790 52.037 -0.576 0.000 0.628 444 A CB -1.491 16.954 19.000 -0.925 0.000 0.814 444 A HN 0.229 nan 8.150 nan 0.000 0.444 445 A N -0.189 122.514 122.820 -0.196 0.000 1.930 445 A HA -0.009 4.311 4.320 0.000 0.000 0.217 445 A C 2.097 179.638 177.584 -0.071 0.000 1.175 445 A CA 1.336 53.325 52.037 -0.082 0.000 0.627 445 A CB -0.538 18.454 19.000 -0.014 0.000 0.815 445 A HN 0.486 nan 8.150 nan 0.000 0.443 446 I N -0.285 120.224 120.570 -0.102 0.000 2.142 446 I HA -0.224 3.946 4.170 0.000 0.000 0.240 446 I C 2.755 178.823 176.117 -0.081 0.000 1.078 446 I CA 1.276 62.534 61.300 -0.070 0.000 1.343 446 I CB -0.671 37.280 38.000 -0.081 0.000 1.046 446 I HN 0.394 nan 8.210 nan 0.000 0.405 447 G N 0.345 109.032 108.800 -0.188 0.000 2.446 447 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 447 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 447 G C 1.842 176.684 174.900 -0.097 0.000 1.168 447 G CA 0.922 45.909 45.100 -0.188 0.000 0.771 447 G HN 0.507 nan 8.290 nan 0.000 0.551 448 A N 0.013 122.774 122.820 -0.098 0.000 1.877 448 A HA 0.044 4.364 4.320 0.000 0.000 0.216 448 A C 1.774 179.352 177.584 -0.010 0.000 1.186 448 A CA 1.889 53.897 52.037 -0.049 0.000 0.620 448 A CB -0.495 18.479 19.000 -0.044 0.000 0.822 448 A HN 0.461 nan 8.150 nan 0.000 0.443 452 R N 0.790 121.306 120.500 0.027 0.000 2.681 452 R HA 0.284 4.624 4.340 0.000 0.000 0.277 452 R C -2.211 174.104 176.300 0.024 0.000 1.563 452 R CA -1.404 54.712 56.100 0.027 0.000 1.673 452 R CB 1.300 31.616 30.300 0.027 0.000 1.258 452 R HN 0.262 nan 8.270 nan 0.000 0.650 453 P HA -0.134 nan 4.420 nan 0.000 0.222 453 P C -0.111 177.203 177.300 0.023 0.000 1.147 453 P CA 1.198 64.313 63.100 0.025 0.000 0.790 453 P CB 0.400 32.113 31.700 0.022 0.000 0.780 454 D N -0.820 119.592 120.400 0.020 0.000 2.368 454 D HA 0.107 4.747 4.640 0.000 0.000 0.218 454 D C 0.599 176.907 176.300 0.013 0.000 1.112 454 D CA 0.230 54.241 54.000 0.017 0.000 0.834 454 D CB 0.480 41.289 40.800 0.015 0.000 0.953 454 D HN 0.368 nan 8.370 nan 0.000 0.505 455 Q N 0.876 120.683 119.800 0.012 0.000 2.345 455 Q HA 0.419 4.759 4.340 0.000 0.000 0.268 455 Q C -2.606 173.391 176.000 -0.005 0.000 1.054 455 Q CA -2.032 53.770 55.803 -0.002 0.000 0.835 455 Q CB 2.215 30.952 28.738 -0.003 0.000 1.339 455 Q HN -0.128 nan 8.270 nan 0.000 0.447 456 P HA 0.068 nan 4.420 nan 0.000 0.271 456 P C -1.045 176.210 177.300 -0.074 0.000 1.216 456 P CA -0.039 63.029 63.100 -0.054 0.000 0.776 456 P CB 0.643 32.223 31.700 -0.199 0.000 0.881 457 T N 3.650 118.244 114.554 0.066 0.000 2.847 457 T HA 0.502 4.852 4.350 0.000 0.000 0.291 457 T C -0.727 174.203 174.700 0.383 0.000 0.998 457 T CA -0.180 61.990 62.100 0.118 0.000 0.967 457 T CB 0.041 68.966 68.868 0.095 0.000 0.954 457 T HN 0.046 nan 8.240 nan 0.000 0.441 458 F N 2.729 122.712 119.950 0.056 0.000 2.450 458 F HA 0.739 5.266 4.527 0.000 0.000 0.332 458 F C -0.122 175.712 175.800 0.056 0.000 1.093 458 F CA -2.134 55.901 58.000 0.058 0.000 1.003 458 F CB 1.572 40.616 39.000 0.073 0.000 1.151 458 F HN 0.307 nan 8.300 nan 0.000 0.474 459 L N 4.831 126.176 121.223 0.204 0.000 2.362 459 L HA 0.655 4.995 4.340 0.000 0.000 0.275 459 L C -1.357 175.551 176.870 0.062 0.000 0.998 459 L CA -0.513 54.402 54.840 0.125 0.000 0.820 459 L CB 1.618 43.729 42.059 0.086 0.000 1.270 459 L HN 0.578 nan 8.230 nan 0.000 0.415 460 I N 4.738 125.375 120.570 0.112 0.000 2.404 460 I HA 0.863 5.033 4.170 0.000 0.000 0.293 460 I C -0.854 175.270 176.117 0.011 0.000 0.992 460 I CA -0.233 61.083 61.300 0.026 0.000 1.149 460 I CB 1.428 39.507 38.000 0.132 0.000 1.315 460 I HN 0.892 nan 8.210 nan 0.000 0.446 461 A N 4.971 127.595 122.820 -0.327 0.000 2.539 461 A HA 0.806 5.126 4.320 0.000 0.000 0.296 461 A C -0.455 176.618 177.584 -0.852 0.000 1.073 461 A CA -0.388 51.416 52.037 -0.389 0.000 0.700 461 A CB 1.354 20.371 19.000 0.028 0.000 1.296 461 A HN 0.811 nan 8.150 nan 0.000 0.405 462 G N -0.185 108.102 108.800 -0.854 0.000 2.528 462 G HA2 0.427 4.387 3.960 0.000 0.000 0.289 462 G HA3 0.427 4.387 3.960 0.000 0.000 0.289 462 G C 0.474 175.265 174.900 -0.182 0.000 1.192 462 G CA 0.331 45.150 45.100 -0.468 0.000 0.921 462 G HN 0.811 nan 8.290 nan 0.000 0.512 463 D N -0.074 120.260 120.400 -0.110 0.000 2.144 463 D HA -0.108 4.532 4.640 0.000 0.000 0.199 463 D C 2.156 178.535 176.300 0.131 0.000 0.984 463 D CA 1.326 55.289 54.000 -0.060 0.000 0.834 463 D CB -0.740 40.158 40.800 0.165 0.000 0.955 463 D HN 0.469 nan 8.370 nan 0.000 0.465 464 G N 0.983 109.942 108.800 0.264 0.000 2.453 464 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 464 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 464 G C 1.788 176.744 174.900 0.093 0.000 1.201 464 G CA 1.273 46.563 45.100 0.318 0.000 0.784 464 G HN 0.473 nan 8.290 nan 0.000 0.545 465 G N 0.019 108.931 108.800 0.187 0.000 2.402 465 G HA2 -0.115 3.845 3.960 0.000 0.000 0.216 465 G HA3 -0.115 3.845 3.960 0.000 0.000 0.216 465 G C 1.646 176.492 174.900 -0.091 0.000 1.162 465 G CA 0.823 45.928 45.100 0.008 0.000 0.777 465 G HN 0.320 nan 8.290 nan 0.000 0.539 466 F N 1.015 120.901 119.950 -0.107 0.000 2.095 466 F HA -0.114 4.413 4.527 0.000 0.000 0.298 466 F C 2.468 178.238 175.800 -0.050 0.000 1.104 466 F CA 2.008 59.932 58.000 -0.127 0.000 1.232 466 F CB -0.288 38.541 39.000 -0.286 0.000 0.987 466 F HN 0.250 nan 8.300 nan 0.000 0.475 467 H N -0.149 118.880 119.070 -0.068 0.000 2.491 467 H HA -0.043 4.513 4.556 0.000 0.000 0.290 467 H C 2.455 177.595 175.328 -0.313 0.000 1.050 467 H CA 1.095 57.082 56.048 -0.102 0.000 1.309 467 H CB -0.462 29.319 29.762 0.031 0.000 1.392 467 H HN 0.357 nan 8.280 nan 0.000 0.554 468 S N -0.982 114.440 115.700 -0.463 0.000 2.442 468 S HA -0.145 4.325 4.470 0.000 0.000 0.236 468 S C 1.466 175.768 174.600 -0.498 0.000 1.007 468 S CA 1.484 59.290 58.200 -0.656 0.000 0.965 468 S CB -0.027 62.321 63.200 -1.420 0.000 0.773 468 S HN 0.428 nan 8.310 nan 0.000 0.504 469 N N 0.121 118.563 118.700 -0.431 0.000 2.475 469 N HA 0.208 4.948 4.740 0.000 0.000 0.272 469 N C 0.759 176.041 175.510 -0.381 0.000 1.482 469 N CA 0.548 53.406 53.050 -0.320 0.000 0.863 469 N CB 0.644 39.046 38.487 -0.142 0.000 1.400 469 N HN 0.376 nan 8.380 nan 0.000 0.489 470 S N -2.152 113.273 115.700 -0.458 0.000 2.522 470 S HA 0.032 4.502 4.470 0.000 0.000 0.227 470 S C 1.612 176.066 174.600 -0.243 0.000 0.986 470 S CA 0.461 58.331 58.200 -0.551 0.000 0.929 470 S CB -0.042 62.971 63.200 -0.312 0.000 0.769 470 S HN 0.117 nan 8.310 nan 0.000 0.529 471 S N 2.140 117.739 115.700 -0.168 0.000 2.423 471 S HA -0.044 4.426 4.470 0.000 0.000 0.231 471 S C 1.181 175.755 174.600 -0.044 0.000 1.014 471 S CA 0.907 59.063 58.200 -0.074 0.000 0.965 471 S CB -0.380 62.789 63.200 -0.051 0.000 0.785 471 S HN 0.559 nan 8.310 nan 0.000 0.495 472 D N 1.236 121.597 120.400 -0.066 0.000 2.371 472 D HA 0.082 4.722 4.640 0.000 0.000 0.234 472 D C 1.453 177.742 176.300 -0.019 0.000 1.049 472 D CA 0.120 54.101 54.000 -0.032 0.000 0.907 472 D CB -0.046 40.734 40.800 -0.034 0.000 0.891 472 D HN 0.358 nan 8.370 nan 0.000 0.531 473 L N 0.726 121.939 121.223 -0.017 0.000 2.079 473 L HA -0.182 4.158 4.340 0.000 0.000 0.210 473 L C 2.549 179.443 176.870 0.039 0.000 1.081 473 L CA 1.081 55.946 54.840 0.042 0.000 0.752 473 L CB -0.217 41.894 42.059 0.086 0.000 0.896 473 L HN 0.005 nan 8.230 nan 0.000 0.433 474 E N -0.108 120.109 120.200 0.028 0.000 2.110 474 E HA -0.192 4.158 4.350 0.000 0.000 0.193 474 E C 1.964 178.582 176.600 0.030 0.000 0.988 474 E CA 1.890 58.307 56.400 0.030 0.000 0.804 474 E CB 0.021 29.736 29.700 0.026 0.000 0.745 474 E HN 0.444 nan 8.360 nan 0.000 0.458 475 T N 1.613 116.183 114.554 0.027 0.000 2.746 475 T HA -0.107 4.243 4.350 0.000 0.000 0.267 475 T C 2.106 176.824 174.700 0.030 0.000 1.039 475 T CA 1.393 63.510 62.100 0.028 0.000 1.142 475 T CB -0.221 68.662 68.868 0.025 0.000 0.866 475 T HN 0.179 nan 8.240 nan 0.000 0.444 476 I N 1.391 121.981 120.570 0.032 0.000 2.163 476 I HA -0.233 3.937 4.170 0.000 0.000 0.243 476 I C 2.925 179.068 176.117 0.044 0.000 1.085 476 I CA 1.267 62.591 61.300 0.040 0.000 1.347 476 I CB -0.487 37.544 38.000 0.051 0.000 1.044 476 I HN 0.213 nan 8.210 nan 0.000 0.408 477 A N 0.657 123.503 122.820 0.044 0.000 1.902 477 A HA -0.248 4.072 4.320 0.000 0.000 0.217 477 A C 2.418 180.023 177.584 0.035 0.000 1.181 477 A CA 1.871 53.933 52.037 0.043 0.000 0.623 477 A CB -0.633 18.392 19.000 0.042 0.000 0.818 477 A HN 0.368 nan 8.150 nan 0.000 0.443 478 R N -0.237 120.282 120.500 0.031 0.000 2.081 478 R HA -0.008 4.333 4.340 0.000 0.000 0.235 478 R C 1.610 177.924 176.300 0.022 0.000 1.131 478 R CA 1.512 57.627 56.100 0.025 0.000 0.960 478 R CB -0.365 29.950 30.300 0.025 0.000 0.856 478 R HN 0.500 nan 8.270 nan 0.000 0.436 479 L N 0.657 121.895 121.223 0.024 0.000 2.554 479 L HA 0.042 4.382 4.340 0.000 0.000 0.226 479 L C 0.436 177.321 176.870 0.025 0.000 1.137 479 L CA 0.107 54.959 54.840 0.021 0.000 0.863 479 L CB -0.533 41.541 42.059 0.024 0.000 0.985 479 L HN 0.350 nan 8.230 nan 0.000 0.451 480 N N 1.128 119.846 118.700 0.031 0.000 2.714 480 N HA -0.217 4.523 4.740 0.000 0.000 0.252 480 N C -0.583 174.950 175.510 0.039 0.000 1.014 480 N CA 0.422 53.494 53.050 0.035 0.000 0.735 480 N CB -1.194 37.310 38.487 0.029 0.000 0.924 480 N HN 0.284 nan 8.380 nan 0.000 0.540 481 L N 0.714 121.963 121.223 0.044 0.000 2.281 481 L HA 0.352 4.692 4.340 0.000 0.000 0.285 481 L C -1.293 175.615 176.870 0.063 0.000 1.074 481 L CA -1.679 53.191 54.840 0.049 0.000 0.817 481 L CB 1.022 43.108 42.059 0.046 0.000 1.168 481 L HN 0.102 nan 8.230 nan 0.000 0.434 482 P HA 0.106 nan 4.420 nan 0.000 0.237 482 P C -0.015 177.354 177.300 0.115 0.000 1.723 482 P CA -0.006 63.145 63.100 0.085 0.000 0.882 482 P CB -0.362 31.382 31.700 0.073 0.000 1.810 483 I N 0.077 120.714 120.570 0.111 0.000 2.556 483 I HA 0.035 4.205 4.170 0.000 0.000 0.284 483 I C 0.671 176.867 176.117 0.131 0.000 1.114 483 I CA -0.306 61.074 61.300 0.132 0.000 1.418 483 I CB 0.938 38.996 38.000 0.098 0.000 1.394 483 I HN -0.158 nan 8.210 nan 0.000 0.552 484 V N 5.776 125.777 119.914 0.145 0.000 2.350 484 V HA 0.272 4.392 4.120 0.000 0.000 0.276 484 V C 0.182 176.238 176.094 -0.064 0.000 1.028 484 V CA -0.373 61.931 62.300 0.005 0.000 0.860 484 V CB 1.196 32.877 31.823 -0.237 0.000 0.990 484 V HN 0.740 nan 8.190 nan 0.000 0.453 485 T N 4.747 119.244 114.554 -0.096 0.000 2.794 485 T HA 0.556 4.906 4.350 0.000 0.000 0.280 485 T C -0.309 174.230 174.700 -0.268 0.000 0.987 485 T CA -0.364 61.644 62.100 -0.153 0.000 0.993 485 T CB 1.667 70.447 68.868 -0.145 0.000 0.939 485 T HN 0.325 nan 8.240 nan 0.000 0.449 486 V N 4.141 123.892 119.914 -0.273 0.000 2.357 486 V HA 0.370 4.490 4.120 0.000 0.000 0.284 486 V C -0.157 175.670 176.094 -0.445 0.000 1.018 486 V CA -0.764 61.346 62.300 -0.316 0.000 0.841 486 V CB 1.644 33.335 31.823 -0.220 0.000 0.991 486 V HN 0.711 nan 8.190 nan 0.000 0.437 487 V N 6.162 125.739 119.914 -0.562 0.000 2.333 487 V HA 0.274 4.395 4.120 0.000 0.000 0.274 487 V C 0.142 175.915 176.094 -0.535 0.000 1.028 487 V CA -0.625 61.234 62.300 -0.735 0.000 0.851 487 V CB 1.659 32.807 31.823 -1.124 0.000 1.000 487 V HN 0.729 nan 8.190 nan 0.000 0.456 488 V N 2.400 122.009 119.914 -0.509 0.000 2.372 488 V HA 0.516 4.636 4.120 0.000 0.000 0.261 488 V C 0.033 175.954 176.094 -0.289 0.000 1.055 488 V CA -0.364 61.714 62.300 -0.371 0.000 0.930 488 V CB 0.855 32.471 31.823 -0.344 0.000 1.031 488 V HN 0.747 nan 8.190 nan 0.000 0.479 489 N N 4.948 123.526 118.700 -0.203 0.000 2.444 489 N HA 0.375 5.115 4.740 0.000 0.000 0.262 489 N C 0.284 175.778 175.510 -0.026 0.000 0.974 489 N CA -0.438 52.570 53.050 -0.069 0.000 0.933 489 N CB 1.396 39.898 38.487 0.024 0.000 1.137 489 N HN 0.876 nan 8.380 nan 0.000 0.498 490 N N 2.330 121.063 118.700 0.054 0.000 2.238 490 N HA 0.069 4.809 4.740 0.000 0.000 0.235 490 N C -1.008 174.589 175.510 0.146 0.000 1.209 490 N CA -0.176 52.909 53.050 0.059 0.000 0.879 490 N CB 0.031 38.531 38.487 0.023 0.000 1.136 490 N HN 0.462 nan 8.380 nan 0.000 0.517 491 D N -0.091 120.442 120.400 0.222 0.000 2.837 491 D HA -0.135 4.505 4.640 0.000 0.000 0.230 491 D C -0.907 175.589 176.300 0.327 0.000 1.152 491 D CA 1.234 55.418 54.000 0.307 0.000 0.736 491 D CB -1.723 39.185 40.800 0.179 0.000 1.084 491 D HN 0.467 nan 8.370 nan 0.000 0.429 492 T N 0.027 114.790 114.554 0.349 0.000 2.923 492 T HA 0.237 4.587 4.350 0.000 0.000 0.311 492 T C -0.061 174.808 174.700 0.281 0.000 1.183 492 T CA -0.842 61.337 62.100 0.130 0.000 1.020 492 T CB 1.520 70.475 68.868 0.145 0.000 1.165 492 T HN -0.170 nan 8.240 nan 0.000 0.482 493 N N 1.849 120.603 118.700 0.091 0.000 2.671 493 N HA 0.196 4.936 4.740 0.000 0.000 0.274 493 N C 1.479 177.108 175.510 0.199 0.000 1.188 493 N CA -0.020 53.179 53.050 0.248 0.000 1.065 493 N CB 0.626 39.228 38.487 0.191 0.000 1.415 493 N HN 0.894 nan 8.380 nan 0.000 0.511 494 G N 1.196 110.169 108.800 0.288 0.000 2.446 494 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 494 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 494 G C 1.488 176.411 174.900 0.038 0.000 1.168 494 G CA 0.320 45.588 45.100 0.280 0.000 0.771 494 G HN 0.484 nan 8.290 nan 0.000 0.551 495 L N 0.694 121.925 121.223 0.014 0.000 2.081 495 L HA -0.108 4.233 4.340 0.000 0.000 0.212 495 L C 2.462 179.298 176.870 -0.058 0.000 1.080 495 L CA 1.475 56.245 54.840 -0.116 0.000 0.754 495 L CB -0.217 41.895 42.059 0.088 0.000 0.893 495 L HN 0.140 nan 8.230 nan 0.000 0.433 496 I N -0.696 119.905 120.570 0.051 0.000 2.406 496 I HA -0.190 3.980 4.170 0.000 0.000 0.249 496 I C 2.472 178.606 176.117 0.029 0.000 1.122 496 I CA 1.122 62.470 61.300 0.079 0.000 1.431 496 I CB -1.444 36.591 38.000 0.059 0.000 1.087 496 I HN 0.464 nan 8.210 nan 0.000 0.424 497 E N 0.999 121.210 120.200 0.018 0.000 2.110 497 E HA -0.254 4.096 4.350 0.000 0.000 0.193 497 E C 2.272 178.814 176.600 -0.098 0.000 0.988 497 E CA 0.989 57.425 56.400 0.060 0.000 0.804 497 E CB -0.007 29.826 29.700 0.222 0.000 0.745 497 E HN 0.276 nan 8.360 nan 0.000 0.458 498 L N 0.223 121.112 121.223 -0.557 0.000 2.012 498 L HA -0.215 4.125 4.340 0.000 0.000 0.210 498 L C 1.954 178.444 176.870 -0.634 0.000 1.073 498 L CA 1.847 56.004 54.840 -1.138 0.000 0.748 498 L CB -0.793 40.180 42.059 -1.810 0.000 0.891 498 L HN 0.205 nan 8.230 nan 0.000 0.431 499 Y N 0.046 120.124 120.300 -0.371 0.000 2.224 499 Y HA -0.255 4.295 4.550 0.000 0.000 0.289 499 Y C 2.719 178.556 175.900 -0.106 0.000 1.146 499 Y CA 1.816 59.783 58.100 -0.221 0.000 1.182 499 Y CB -0.526 37.840 38.460 -0.157 0.000 0.983 499 Y HN 0.370 nan 8.280 nan 0.000 0.524 500 Q N -0.093 119.762 119.800 0.092 0.000 2.077 500 Q HA -0.237 4.103 4.340 0.000 0.000 0.206 500 Q C 1.972 178.050 176.000 0.130 0.000 0.989 500 Q CA 1.632 57.527 55.803 0.153 0.000 0.853 500 Q CB -0.312 28.481 28.738 0.091 0.000 0.907 500 Q HN 0.562 nan 8.270 nan 0.000 0.418 501 N N 0.393 119.113 118.700 0.034 0.000 2.188 501 N HA -0.099 4.641 4.740 0.000 0.000 0.184 501 N C 1.912 177.389 175.510 -0.054 0.000 1.018 501 N CA 0.954 54.029 53.050 0.041 0.000 0.858 501 N CB -0.066 38.483 38.487 0.104 0.000 0.989 501 N HN 0.261 nan 8.380 nan 0.000 0.426 502 I N 0.759 121.247 120.570 -0.137 0.000 2.179 502 I HA -0.180 3.990 4.170 0.000 0.000 0.242 502 I C 2.487 178.444 176.117 -0.266 0.000 1.088 502 I CA 1.390 62.589 61.300 -0.168 0.000 1.357 502 I CB -0.497 37.378 38.000 -0.209 0.000 1.051 502 I HN 0.141 nan 8.210 nan 0.000 0.409 503 G N -0.935 107.719 108.800 -0.243 0.000 2.453 503 G HA2 -0.103 3.857 3.960 0.000 0.000 0.215 503 G HA3 -0.103 3.857 3.960 0.000 0.000 0.215 503 G C 1.358 175.840 174.900 -0.696 0.000 1.147 503 G CA 0.368 45.194 45.100 -0.456 0.000 0.802 503 G HN 0.446 nan 8.290 nan 0.000 0.535 504 H N -1.559 117.355 119.070 -0.261 0.000 3.360 504 H HA 0.133 4.689 4.556 0.000 0.000 0.262 504 H C 0.389 175.648 175.328 -0.114 0.000 1.149 504 H CA 0.133 56.074 56.048 -0.177 0.000 1.181 504 H CB 0.729 30.451 29.762 -0.067 0.000 1.564 504 H HN 0.351 nan 8.280 nan 0.000 0.565 505 H N 0.612 119.749 119.070 0.113 0.000 2.958 505 H HA -0.155 4.401 4.556 0.000 0.000 0.274 505 H C 0.400 175.787 175.328 0.098 0.000 1.184 505 H CA 1.347 57.447 56.048 0.087 0.000 1.143 505 H CB -1.295 28.504 29.762 0.061 0.000 1.297 505 H HN 0.597 nan 8.280 nan 0.000 0.356 506 R N -1.675 118.935 120.500 0.183 0.000 2.733 506 R HA 0.698 5.038 4.340 0.000 0.000 0.272 506 R C -1.043 175.328 176.300 0.117 0.000 1.029 506 R CA -0.802 55.382 56.100 0.140 0.000 0.888 506 R CB 1.205 31.574 30.300 0.115 0.000 1.251 506 R HN -0.034 nan 8.270 nan 0.000 0.464 507 S N -0.149 115.615 115.700 0.106 0.000 2.654 507 S HA 0.340 4.810 4.470 0.000 0.000 0.283 507 S C -1.055 173.613 174.600 0.113 0.000 1.180 507 S CA -0.537 57.722 58.200 0.097 0.000 1.021 507 S CB 0.790 64.043 63.200 0.088 0.000 1.018 507 S HN 0.641 nan 8.310 nan 0.000 0.532 508 H N 0.656 119.711 119.070 -0.026 0.000 2.991 508 H HA 0.353 4.909 4.556 0.000 0.000 0.304 508 H C -0.206 175.099 175.328 -0.038 0.000 1.040 508 H CA -0.623 55.399 56.048 -0.043 0.000 1.410 508 H CB 0.277 29.990 29.762 -0.080 0.000 1.529 508 H HN 0.443 nan 8.280 nan 0.000 0.509 509 D N 4.766 124.987 120.400 -0.297 0.000 2.123 509 D HA -0.112 4.528 4.640 0.000 0.000 0.196 509 D C -0.772 175.346 176.300 -0.303 0.000 0.992 509 D CA 0.888 54.742 54.000 -0.242 0.000 0.833 509 D CB -0.884 39.820 40.800 -0.160 0.000 0.954 509 D HN 0.539 nan 8.370 nan 0.000 0.455 510 P HA -0.094 nan 4.420 nan 0.000 0.220 510 P C 0.804 178.007 177.300 -0.161 0.000 1.144 510 P CA 1.577 64.505 63.100 -0.286 0.000 0.800 510 P CB 0.020 31.537 31.700 -0.305 0.000 0.772 511 A N -1.374 121.362 122.820 -0.141 0.000 2.195 511 A HA 0.124 4.444 4.320 0.000 0.000 0.210 511 A C 1.718 179.253 177.584 -0.083 0.000 1.165 511 A CA 1.085 53.100 52.037 -0.037 0.000 0.806 511 A CB -0.499 18.537 19.000 0.059 0.000 0.847 511 A HN 0.202 nan 8.150 nan 0.000 0.482 512 V N -5.707 114.112 119.914 -0.158 0.000 3.408 512 V HA 0.347 4.467 4.120 0.000 0.000 0.263 512 V C -0.026 175.793 176.094 -0.458 0.000 1.503 512 V CA -0.294 61.873 62.300 -0.222 0.000 1.046 512 V CB -0.092 31.678 31.823 -0.089 0.000 0.851 512 V HN 0.058 nan 8.190 nan 0.000 0.435 513 K N 1.552 121.721 120.400 -0.384 0.000 2.156 513 K HA 0.627 4.947 4.320 0.000 0.000 0.271 513 K C -1.215 175.149 176.600 -0.393 0.000 0.995 513 K CA -0.228 55.845 56.287 -0.356 0.000 0.890 513 K CB 1.662 34.072 32.500 -0.150 0.000 1.073 513 K HN 0.313 nan 8.250 nan 0.000 0.454 514 F N -0.616 119.372 119.950 0.063 0.000 2.557 514 F HA 0.486 5.013 4.527 0.000 0.000 0.336 514 F C 1.378 177.198 175.800 0.032 0.000 1.058 514 F CA -0.817 57.218 58.000 0.058 0.000 0.988 514 F CB 0.655 39.708 39.000 0.088 0.000 1.275 514 F HN 0.553 nan 8.300 nan 0.000 0.488 515 G N -0.647 108.295 108.800 0.237 0.000 2.563 515 G HA2 0.463 4.423 3.960 0.000 0.000 0.283 515 G HA3 0.463 4.423 3.960 0.000 0.000 0.283 515 G C -0.197 174.750 174.900 0.078 0.000 1.309 515 G CA -0.570 44.598 45.100 0.112 0.000 1.022 515 G HN 0.885 nan 8.290 nan 0.000 0.501 516 G N -1.566 107.240 108.800 0.009 0.000 2.378 516 G HA2 0.445 4.405 3.960 0.000 0.000 0.255 516 G HA3 0.445 4.405 3.960 0.000 0.000 0.255 516 G C -0.655 174.151 174.900 -0.155 0.000 1.270 516 G CA -0.092 44.979 45.100 -0.048 0.000 0.876 516 G HN 0.559 nan 8.290 nan 0.000 0.521 517 V N 3.025 122.762 119.914 -0.296 0.000 2.495 517 V HA 0.228 4.348 4.120 0.000 0.000 0.298 517 V C -0.584 175.125 176.094 -0.641 0.000 1.031 517 V CA -0.912 61.016 62.300 -0.621 0.000 0.871 517 V CB 1.945 33.055 31.823 -1.189 0.000 0.988 517 V HN 0.757 nan 8.190 nan 0.000 0.432 518 D N 3.441 123.552 120.400 -0.481 0.000 2.441 518 D HA 0.254 4.894 4.640 0.000 0.000 0.221 518 D C 0.572 176.667 176.300 -0.341 0.000 1.156 518 D CA -0.197 53.619 54.000 -0.306 0.000 0.896 518 D CB 0.602 41.296 40.800 -0.177 0.000 1.028 518 D HN 0.371 nan 8.370 nan 0.000 0.509 519 F N 2.017 121.883 119.950 -0.140 0.000 2.325 519 F HA -0.129 4.398 4.527 0.000 0.000 0.299 519 F C 2.345 178.069 175.800 -0.126 0.000 1.090 519 F CA 0.205 58.127 58.000 -0.131 0.000 1.392 519 F CB -0.235 38.651 39.000 -0.189 0.000 1.053 519 F HN 0.263 nan 8.300 nan 0.000 0.521 520 V N 0.177 120.096 119.914 0.008 0.000 2.237 520 V HA -0.333 3.787 4.120 0.000 0.000 0.245 520 V C 2.635 178.701 176.094 -0.047 0.000 1.046 520 V CA 1.988 64.253 62.300 -0.058 0.000 1.007 520 V CB -1.404 30.373 31.823 -0.077 0.000 0.638 520 V HN 0.350 nan 8.190 nan 0.000 0.445 521 A N -0.521 122.266 122.820 -0.054 0.000 1.933 521 A HA -0.196 4.124 4.320 0.000 0.000 0.218 521 A C 2.181 179.746 177.584 -0.032 0.000 1.175 521 A CA 2.067 54.075 52.037 -0.048 0.000 0.628 521 A CB -0.586 18.376 19.000 -0.064 0.000 0.814 521 A HN 0.453 nan 8.150 nan 0.000 0.444 522 L N -0.320 120.881 121.223 -0.036 0.000 2.017 522 L HA -0.119 4.221 4.340 0.000 0.000 0.208 522 L C 2.795 179.702 176.870 0.062 0.000 1.073 522 L CA 2.147 56.994 54.840 0.012 0.000 0.745 522 L CB -0.575 41.498 42.059 0.024 0.000 0.894 522 L HN 0.355 nan 8.230 nan 0.000 0.432 523 A N -0.918 121.945 122.820 0.072 0.000 1.902 523 A HA -0.222 4.099 4.320 0.000 0.000 0.217 523 A C 2.142 179.742 177.584 0.027 0.000 1.181 523 A CA 1.845 53.919 52.037 0.061 0.000 0.623 523 A CB -0.631 18.375 19.000 0.009 0.000 0.818 523 A HN 0.609 nan 8.150 nan 0.000 0.443 524 E N -0.203 120.000 120.200 0.005 0.000 2.150 524 E HA -0.104 4.246 4.350 0.000 0.000 0.193 524 E C 2.268 178.877 176.600 0.014 0.000 0.985 524 E CA 0.835 57.239 56.400 0.007 0.000 0.814 524 E CB -0.316 29.382 29.700 -0.004 0.000 0.752 524 E HN 0.618 nan 8.360 nan 0.000 0.466 525 A N 1.988 124.815 122.820 0.012 0.000 1.978 525 A HA -0.178 4.142 4.320 0.000 0.000 0.220 525 A C 1.803 179.400 177.584 0.021 0.000 1.170 525 A CA 1.206 53.251 52.037 0.013 0.000 0.636 525 A CB -0.323 18.682 19.000 0.009 0.000 0.810 525 A HN 0.156 nan 8.150 nan 0.000 0.448 526 N N -0.998 117.720 118.700 0.031 0.000 2.398 526 N HA 0.115 4.856 4.740 0.000 0.000 0.188 526 N C 0.981 176.512 175.510 0.034 0.000 1.122 526 N CA 0.881 53.952 53.050 0.035 0.000 0.866 526 N CB 0.358 38.873 38.487 0.047 0.000 0.970 526 N HN 0.634 nan 8.380 nan 0.000 0.462 527 G N 0.600 109.419 108.800 0.032 0.000 2.137 527 G HA2 -0.233 3.727 3.960 0.000 0.000 0.237 527 G HA3 -0.233 3.727 3.960 0.000 0.000 0.237 527 G C -0.227 174.699 174.900 0.044 0.000 1.002 527 G CA -0.114 45.007 45.100 0.034 0.000 0.702 527 G HN 0.156 nan 8.290 nan 0.000 0.515 528 V N 1.300 121.240 119.914 0.043 0.000 2.384 528 V HA 0.394 4.514 4.120 0.000 0.000 0.287 528 V C 0.039 176.155 176.094 0.035 0.000 1.020 528 V CA -1.175 61.156 62.300 0.050 0.000 0.850 528 V CB 1.610 33.461 31.823 0.046 0.000 0.987 528 V HN 0.259 nan 8.190 nan 0.000 0.436 529 D N 3.748 124.203 120.400 0.092 0.000 2.443 529 D HA 0.534 5.174 4.640 0.000 0.000 0.239 529 D C 0.197 176.433 176.300 -0.105 0.000 1.136 529 D CA 0.621 54.695 54.000 0.123 0.000 0.879 529 D CB 1.517 42.508 40.800 0.319 0.000 1.195 529 D HN 0.824 nan 8.370 nan 0.000 0.443 530 A N 1.215 123.903 122.820 -0.220 0.000 2.594 530 A HA 0.749 5.069 4.320 0.000 0.000 0.291 530 A C -0.537 176.827 177.584 -0.366 0.000 1.105 530 A CA -0.596 51.108 52.037 -0.555 0.000 0.694 530 A CB 2.387 21.199 19.000 -0.313 0.000 1.291 530 A HN 0.420 nan 8.150 nan 0.000 0.410 531 T N -0.488 113.814 114.554 -0.421 0.000 2.853 531 T HA 0.607 4.957 4.350 0.000 0.000 0.311 531 T C -1.402 173.205 174.700 -0.155 0.000 1.307 531 T CA -0.641 61.363 62.100 -0.159 0.000 1.019 531 T CB 1.071 69.954 68.868 0.027 0.000 1.264 531 T HN 1.032 nan 8.240 nan 0.000 0.497 532 R N 1.651 122.099 120.500 -0.086 0.000 2.532 532 R HA 0.892 5.232 4.340 0.000 0.000 0.295 532 R C -0.904 175.360 176.300 -0.059 0.000 0.968 532 R CA -1.065 54.985 56.100 -0.083 0.000 0.916 532 R CB 1.601 31.861 30.300 -0.067 0.000 1.124 532 R HN 0.571 nan 8.270 nan 0.000 0.463 533 A N 1.160 123.937 122.820 -0.071 0.000 2.359 533 A HA 0.414 4.734 4.320 0.000 0.000 0.303 533 A C 0.313 177.859 177.584 -0.064 0.000 1.066 533 A CA -0.706 51.298 52.037 -0.056 0.000 0.730 533 A CB 1.773 20.740 19.000 -0.055 0.000 1.211 533 A HN 0.921 nan 8.150 nan 0.000 0.439 534 T N -1.463 113.061 114.554 -0.050 0.000 3.010 534 T HA 0.277 4.627 4.350 0.000 0.000 0.257 534 T C 0.272 174.946 174.700 -0.044 0.000 1.020 534 T CA 0.502 62.572 62.100 -0.051 0.000 0.938 534 T CB -0.571 68.273 68.868 -0.040 0.000 1.049 534 T HN 0.887 nan 8.240 nan 0.000 0.522 535 N N -0.329 118.347 118.700 -0.039 0.000 2.972 535 N HA 0.423 5.163 4.740 0.000 0.000 0.262 535 N C 0.410 175.902 175.510 -0.031 0.000 1.478 535 N CA -1.159 51.873 53.050 -0.030 0.000 0.841 535 N CB 0.930 39.403 38.487 -0.022 0.000 1.512 535 N HN -0.183 nan 8.380 nan 0.000 0.548 536 R N -0.033 120.452 120.500 -0.024 0.000 2.091 536 R HA -0.100 4.240 4.340 0.000 0.000 0.238 536 R C 1.057 177.349 176.300 -0.015 0.000 1.136 536 R CA 1.911 57.999 56.100 -0.020 0.000 0.959 536 R CB -0.289 30.003 30.300 -0.013 0.000 0.856 536 R HN 0.689 nan 8.270 nan 0.000 0.437 537 E N 0.404 120.596 120.200 -0.013 0.000 2.051 537 E HA -0.205 4.145 4.350 0.000 0.000 0.192 537 E C 1.966 178.561 176.600 -0.009 0.000 0.991 537 E CA 1.286 57.680 56.400 -0.010 0.000 0.799 537 E CB 0.003 29.697 29.700 -0.010 0.000 0.748 537 E HN 0.416 nan 8.360 nan 0.000 0.449 538 E N 0.450 120.642 120.200 -0.013 0.000 2.110 538 E HA -0.195 4.155 4.350 0.000 0.000 0.193 538 E C 2.092 178.685 176.600 -0.011 0.000 0.988 538 E CA 0.607 57.001 56.400 -0.011 0.000 0.804 538 E CB -0.022 29.668 29.700 -0.017 0.000 0.745 538 E HN 0.084 nan 8.360 nan 0.000 0.458 539 L N 0.870 122.079 121.223 -0.022 0.000 2.027 539 L HA -0.127 4.213 4.340 0.000 0.000 0.206 539 L C 2.028 178.888 176.870 -0.017 0.000 1.074 539 L CA 1.473 56.295 54.840 -0.030 0.000 0.745 539 L CB -0.362 41.669 42.059 -0.046 0.000 0.898 539 L HN 0.113 nan 8.230 nan 0.000 0.433 540 L N -0.589 120.629 121.223 -0.008 0.000 2.042 540 L HA -0.223 4.117 4.340 0.000 0.000 0.210 540 L C 2.649 179.521 176.870 0.003 0.000 1.076 540 L CA 1.312 56.154 54.840 0.004 0.000 0.749 540 L CB -0.882 41.182 42.059 0.010 0.000 0.893 540 L HN 0.395 nan 8.230 nan 0.000 0.432 541 A N -0.189 122.632 122.820 0.001 0.000 1.902 541 A HA -0.168 4.152 4.320 0.000 0.000 0.217 541 A C 2.513 180.096 177.584 -0.000 0.000 1.181 541 A CA 1.741 53.777 52.037 -0.002 0.000 0.623 541 A CB -0.712 18.288 19.000 -0.000 0.000 0.818 541 A HN 0.412 nan 8.150 nan 0.000 0.443 542 A N -0.357 122.482 122.820 0.031 0.000 1.898 542 A HA -0.004 4.316 4.320 0.000 0.000 0.216 542 A C 2.180 179.810 177.584 0.077 0.000 1.181 542 A CA 1.457 53.564 52.037 0.115 0.000 0.620 542 A CB -0.591 18.494 19.000 0.142 0.000 0.819 542 A HN 0.459 nan 8.150 nan 0.000 0.442 543 L N -1.056 120.163 121.223 -0.006 0.000 2.046 543 L HA -0.182 4.158 4.340 0.000 0.000 0.208 543 L C 2.879 179.713 176.870 -0.060 0.000 1.077 543 L CA 1.480 56.264 54.840 -0.094 0.000 0.747 543 L CB -0.443 41.547 42.059 -0.114 0.000 0.896 543 L HN 0.335 nan 8.230 nan 0.000 0.432 544 R N -0.061 120.426 120.500 -0.021 0.000 2.096 544 R HA -0.197 4.143 4.340 0.000 0.000 0.235 544 R C 2.326 178.585 176.300 -0.069 0.000 1.127 544 R CA 1.390 57.485 56.100 -0.009 0.000 0.968 544 R CB -0.262 30.038 30.300 -0.000 0.000 0.861 544 R HN 0.293 nan 8.270 nan 0.000 0.440 545 K N 0.286 120.604 120.400 -0.137 0.000 2.002 545 K HA -0.125 4.195 4.320 0.000 0.000 0.209 545 K C 2.121 178.476 176.600 -0.409 0.000 1.048 545 K CA 1.717 57.842 56.287 -0.271 0.000 0.930 545 K CB -0.355 31.938 32.500 -0.345 0.000 0.714 545 K HN 0.228 nan 8.250 nan 0.000 0.438 546 G N 0.461 108.984 108.800 -0.462 0.000 2.446 546 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 546 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 546 G C 1.598 176.435 174.900 -0.106 0.000 1.168 546 G CA 1.047 45.932 45.100 -0.357 0.000 0.771 546 G HN 0.470 nan 8.290 nan 0.000 0.551 547 A N 0.520 123.332 122.820 -0.013 0.000 1.972 547 A HA 0.015 4.335 4.320 0.000 0.000 0.219 547 A C 2.081 179.698 177.584 0.055 0.000 1.169 547 A CA 1.790 53.906 52.037 0.131 0.000 0.635 547 A CB -0.230 18.919 19.000 0.248 0.000 0.810 547 A HN 0.482 nan 8.150 nan 0.000 0.446 548 E N -1.164 119.026 120.200 -0.017 0.000 2.474 548 E HA 0.114 4.464 4.350 0.000 0.000 0.195 548 E C 1.359 177.927 176.600 -0.052 0.000 1.039 548 E CA -0.252 56.132 56.400 -0.026 0.000 0.881 548 E CB 0.111 29.791 29.700 -0.034 0.000 0.970 548 E HN 0.444 nan 8.360 nan 0.000 0.486 549 L N 0.330 121.500 121.223 -0.089 0.000 2.141 549 L HA 0.025 4.365 4.340 0.000 0.000 0.209 549 L C 1.468 178.316 176.870 -0.038 0.000 1.094 549 L CA 1.860 56.638 54.840 -0.104 0.000 0.763 549 L CB -0.288 41.660 42.059 -0.185 0.000 0.908 549 L HN 0.275 nan 8.230 nan 0.000 0.437 550 G N -0.240 108.556 108.800 -0.007 0.000 2.153 550 G HA2 -0.300 3.660 3.960 0.000 0.000 0.252 550 G HA3 -0.300 3.660 3.960 0.000 0.000 0.252 550 G C 0.424 175.338 174.900 0.025 0.000 0.994 550 G CA 0.542 45.650 45.100 0.012 0.000 0.698 550 G HN 0.459 nan 8.290 nan 0.000 0.521 551 R N -0.657 119.864 120.500 0.035 0.000 2.692 551 R HA 0.432 4.772 4.340 0.000 0.000 0.269 551 R C -2.828 173.527 176.300 0.092 0.000 1.030 551 R CA -1.766 54.368 56.100 0.056 0.000 0.882 551 R CB 2.058 32.389 30.300 0.053 0.000 1.250 551 R HN 0.042 nan 8.270 nan 0.000 0.465 552 P HA 0.073 nan 4.420 nan 0.000 0.268 552 P C -1.109 176.325 177.300 0.223 0.000 1.208 552 P CA 0.287 63.466 63.100 0.132 0.000 0.777 552 P CB 0.518 32.276 31.700 0.098 0.000 0.875 553 F N 2.021 121.965 119.950 -0.010 0.000 2.608 553 F HA 0.566 5.093 4.527 0.000 0.000 0.309 553 F C -1.535 174.227 175.800 -0.062 0.000 1.103 553 F CA -1.126 56.853 58.000 -0.036 0.000 0.954 553 F CB 1.635 40.602 39.000 -0.054 0.000 1.267 553 F HN 0.159 nan 8.300 nan 0.000 0.444 554 L N 6.358 127.229 121.223 -0.587 0.000 2.365 554 L HA 0.751 5.092 4.340 0.000 0.000 0.273 554 L C -1.618 174.852 176.870 -0.667 0.000 1.000 554 L CA -0.502 54.048 54.840 -0.483 0.000 0.819 554 L CB 1.655 43.535 42.059 -0.297 0.000 1.284 554 L HN 0.581 nan 8.230 nan 0.000 0.418 555 I N 4.091 124.387 120.570 -0.457 0.000 2.410 555 I HA 0.352 4.522 4.170 0.000 0.000 0.286 555 I C -0.485 175.446 176.117 -0.311 0.000 1.009 555 I CA -0.411 60.673 61.300 -0.360 0.000 1.111 555 I CB 1.852 39.710 38.000 -0.237 0.000 1.262 555 I HN 0.592 nan 8.210 nan 0.000 0.443 556 E N 6.135 126.185 120.200 -0.249 0.000 2.200 556 E HA 0.485 4.835 4.350 0.000 0.000 0.283 556 E C -1.424 175.074 176.600 -0.170 0.000 1.015 556 E CA -0.517 55.757 56.400 -0.210 0.000 0.819 556 E CB 1.455 31.098 29.700 -0.094 0.000 1.081 556 E HN 0.377 nan 8.360 nan 0.000 0.397 557 V N 7.363 127.162 119.914 -0.192 0.000 2.407 557 V HA 0.333 4.453 4.120 0.000 0.000 0.291 557 V C -2.243 173.759 176.094 -0.153 0.000 1.018 557 V CA -1.914 60.290 62.300 -0.161 0.000 0.842 557 V CB 1.451 33.167 31.823 -0.177 0.000 0.996 557 V HN 0.706 nan 8.190 nan 0.000 0.426 558 P HA 0.246 nan 4.420 nan 0.000 0.271 558 P C -0.587 176.618 177.300 -0.158 0.000 1.220 558 P CA 0.242 63.276 63.100 -0.111 0.000 0.768 558 P CB 1.447 33.102 31.700 -0.076 0.000 0.848 559 V N 1.039 120.830 119.914 -0.205 0.000 3.102 559 V HA 0.713 4.833 4.120 0.000 0.000 0.312 559 V C -0.765 175.110 176.094 -0.365 0.000 1.135 559 V CA -0.907 61.205 62.300 -0.312 0.000 1.022 559 V CB 2.642 34.216 31.823 -0.415 0.000 1.056 559 V HN 0.457 nan 8.190 nan 0.000 0.436 560 N N -0.006 118.423 118.700 -0.451 0.000 2.416 560 N HA 0.521 5.261 4.740 0.000 0.000 0.276 560 N C -0.894 174.316 175.510 -0.499 0.000 1.261 560 N CA -0.315 52.477 53.050 -0.429 0.000 0.790 560 N CB 2.471 40.826 38.487 -0.219 0.000 1.554 560 N HN 0.805 nan 8.380 nan 0.000 0.481 561 Y N 0.118 120.406 120.300 -0.021 0.000 2.506 561 Y HA 0.097 4.647 4.550 0.000 0.000 0.287 561 Y C 0.469 176.404 175.900 0.059 0.000 1.147 561 Y CA 0.081 58.256 58.100 0.125 0.000 1.241 561 Y CB 0.190 38.889 38.460 0.398 0.000 1.279 561 Y HN 0.549 nan 8.280 nan 0.000 0.527 562 D N 0.953 121.333 120.400 -0.034 0.000 2.737 562 D HA -0.202 4.438 4.640 0.000 0.000 0.238 562 D C -0.935 175.441 176.300 0.127 0.000 1.157 562 D CA 0.242 54.214 54.000 -0.047 0.000 0.694 562 D CB -1.412 39.405 40.800 0.029 0.000 1.021 562 D HN 0.152 nan 8.370 nan 0.000 0.420 563 F N -0.823 119.310 119.950 0.305 0.000 2.382 563 F HA 0.568 5.095 4.527 0.000 0.000 0.331 563 F C 0.811 176.765 175.800 0.257 0.000 1.121 563 F CA -0.916 57.285 58.000 0.335 0.000 1.183 563 F CB 0.549 39.674 39.000 0.209 0.000 1.207 563 F HN -0.001 nan 8.300 nan 0.000 0.555 564 Q N 3.320 123.487 119.800 0.611 0.000 2.462 564 Q HA 0.249 4.589 4.340 0.000 0.000 0.247 564 Q C -1.832 174.441 176.000 0.456 0.000 1.044 564 Q CA -1.908 54.147 55.803 0.420 0.000 0.803 564 Q CB 1.720 30.628 28.738 0.284 0.000 1.190 564 Q HN 0.452 nan 8.270 nan 0.000 0.507 565 P HA -0.202 nan 4.420 nan 0.000 0.217 565 P C 1.093 178.560 177.300 0.278 0.000 1.148 565 P CA 1.277 64.525 63.100 0.247 0.000 0.828 565 P CB 0.236 32.035 31.700 0.165 0.000 0.783 566 G N -0.185 108.743 108.800 0.213 0.000 2.509 566 G HA2 -0.111 3.849 3.960 0.000 0.000 0.218 566 G HA3 -0.111 3.849 3.960 0.000 0.000 0.218 566 G C 1.597 176.540 174.900 0.071 0.000 1.124 566 G CA 0.671 45.851 45.100 0.133 0.000 0.776 566 G HN 0.437 nan 8.290 nan 0.000 0.547 567 G N -0.319 108.501 108.800 0.034 0.000 2.985 567 G HA2 0.219 4.179 3.960 0.000 0.000 0.209 567 G HA3 0.219 4.179 3.960 0.000 0.000 0.209 567 G C 0.446 175.104 174.900 -0.403 0.000 1.165 567 G CA -0.323 44.652 45.100 -0.209 0.000 0.776 567 G HN 0.329 nan 8.290 nan 0.000 0.541 568 F N 0.936 120.847 119.950 -0.065 0.000 2.837 568 F HA 0.313 4.840 4.527 0.000 0.000 0.298 568 F C 2.049 177.757 175.800 -0.153 0.000 1.161 568 F CA -0.493 57.422 58.000 -0.141 0.000 1.353 568 F CB 0.821 39.684 39.000 -0.229 0.000 0.951 568 F HN 0.065 nan 8.300 nan 0.000 0.508 569 G N 0.239 109.033 108.800 -0.010 0.000 2.470 569 G HA2 -0.203 3.757 3.960 0.000 0.000 0.220 569 G HA3 -0.203 3.757 3.960 0.000 0.000 0.220 569 G C 1.847 176.716 174.900 -0.052 0.000 1.121 569 G CA 0.882 45.965 45.100 -0.027 0.000 0.766 569 G HN 0.450 nan 8.290 nan 0.000 0.553 570 A N 0.457 123.234 122.820 -0.071 0.000 2.067 570 A HA 0.180 4.500 4.320 0.000 0.000 0.219 570 A C 2.287 179.808 177.584 -0.106 0.000 1.158 570 A CA 0.753 52.740 52.037 -0.084 0.000 0.661 570 A CB -0.229 18.723 19.000 -0.079 0.000 0.801 570 A HN 0.383 nan 8.150 nan 0.000 0.452 571 L N -0.817 120.328 121.223 -0.130 0.000 2.217 571 L HA -0.092 4.248 4.340 0.000 0.000 0.211 571 L C 2.554 179.377 176.870 -0.079 0.000 1.107 571 L CA 1.137 55.880 54.840 -0.161 0.000 0.783 571 L CB -0.322 41.594 42.059 -0.238 0.000 0.919 571 L HN 0.291 nan 8.230 nan 0.000 0.442 572 S N 0.013 115.677 115.700 -0.060 0.000 2.406 572 S HA 0.107 4.577 4.470 0.000 0.000 0.224 572 S C 0.997 175.567 174.600 -0.050 0.000 1.030 572 S CA 0.371 58.545 58.200 -0.043 0.000 0.958 572 S CB -0.039 63.138 63.200 -0.038 0.000 0.811 572 S HN 0.344 nan 8.310 nan 0.000 0.489 573 I N 0.000 120.533 120.570 -0.062 0.000 2.984 573 I HA 0.000 4.170 4.170 0.000 0.000 0.288 573 I CA 0.000 61.259 61.300 -0.068 0.000 1.566 573 I CB 0.000 37.955 38.000 -0.075 0.000 1.214 573 I HN 0.000 nan 8.210 nan 0.000 0.494