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 1qki_1_B DATA FIRST_RESID 11 DATA SEQUENCE HVCGIXXXXX XXXXXXXQSD THIFIIMGAS GDLAKKKIYP TIWWLFRDGL DATA SEQUENCE LPENTFIVGY ARSRLTVADI RKQSEPFFKA TPEEKLKLED FFARNSYVAG DATA SEQUENCE QYDDAASYQR LNSHMNALHL GSQANRLFYL ALPPTVYEAV TKNIHESCMS DATA SEQUENCE QIGWNRIIVE KPFGRDLQSS DRLSNHISSL FREDQIYRID HYLGKEMVQN DATA SEQUENCE LMVLRFANRI FGPIWNRDNI ACVILTFKEP FGTEGRGGYF DEFGIIRDVM DATA SEQUENCE QNHLLQMLCL VAMEKPASTN SDDVRDEKVK VLKCISEVQA NNVVLGQYVG DATA SEQUENCE NPDGEGEATK GYLDDPTVPR GSTTATFAAV VLYVENERWD GVPFILRCGK DATA SEQUENCE ALNERKAEVR LQFHDVAGDI FHQQCKRNEL VIRVQPNEAV YTKMMTKKPG DATA SEQUENCE MFFNPEESEL DLTYGNRYKN VKLPDAYERL ILDVFCGSQM HFVRSDELLE DATA SEQUENCE AWRIFTPLLH QIELEKPKPI PYIYGSRGPT EADELMKRVG FQYEGTYKWV DATA SEQUENCE N 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 H HA 0.000 nan 4.556 nan 0.000 0.296 11 H C 0.000 175.337 175.328 0.014 0.000 0.993 11 H CA 0.000 56.063 56.048 0.025 0.000 1.023 11 H CB 0.000 29.781 29.762 0.032 0.000 1.292 12 V N 0.482 120.404 119.914 0.013 0.000 2.284 12 V HA 0.345 4.465 4.120 -0.000 0.000 0.236 12 V C 2.585 178.687 176.094 0.012 0.000 1.044 12 V CA 2.164 64.468 62.300 0.006 0.000 1.019 12 V CB -1.131 30.692 31.823 0.000 0.000 0.657 12 V HN 1.815 nan 8.190 nan 0.000 0.465 13 C N 0.648 119.959 119.300 0.019 0.000 2.705 13 C HA 0.658 5.118 4.460 -0.000 0.000 0.365 13 C C 1.115 176.114 174.990 0.015 0.000 1.353 13 C CA 0.297 59.327 59.018 0.018 0.000 2.339 13 C CB -0.704 27.049 27.740 0.021 0.000 2.576 13 C HN 0.974 nan 8.230 nan 0.000 0.716 14 G N -0.652 108.155 108.800 0.011 0.000 2.511 14 G HA2 0.992 4.952 3.960 -0.000 0.000 0.318 14 G HA3 0.992 4.952 3.960 -0.000 0.000 0.318 14 G C -0.535 174.369 174.900 0.006 0.000 1.210 14 G CA 0.566 45.672 45.100 0.009 0.000 0.969 14 G HN 2.242 nan 8.290 nan 0.000 0.484 29 S N 1.652 117.415 115.700 0.104 0.000 3.609 29 S HA -0.074 4.396 4.470 -0.000 0.000 0.244 29 S C -0.743 173.908 174.600 0.086 0.000 0.742 29 S CA 1.174 59.442 58.200 0.114 0.000 1.380 29 S CB -1.074 62.173 63.200 0.078 0.000 1.370 29 S HN 0.636 nan 8.310 nan 0.000 0.411 30 D N 1.143 121.599 120.400 0.094 0.000 2.326 30 D HA 0.496 5.136 4.640 -0.000 0.000 0.251 30 D C 0.562 176.801 176.300 -0.102 0.000 1.023 30 D CA -0.251 53.713 54.000 -0.061 0.000 0.966 30 D CB 0.759 41.455 40.800 -0.172 0.000 1.156 30 D HN 0.266 nan 8.370 nan 0.000 0.494 31 T N 0.852 115.295 114.554 -0.184 0.000 2.899 31 T HA 0.274 4.624 4.350 -0.000 0.000 0.295 31 T C -0.252 174.239 174.700 -0.349 0.000 1.033 31 T CA -0.165 61.858 62.100 -0.128 0.000 1.084 31 T CB 0.303 69.132 68.868 -0.065 0.000 0.979 31 T HN 0.218 nan 8.240 nan 0.000 0.532 32 H N 0.810 119.840 119.070 -0.067 0.000 2.851 32 H HA 0.509 5.065 4.556 -0.000 0.000 0.372 32 H C -0.766 174.565 175.328 0.005 0.000 1.158 32 H CA -0.702 55.301 56.048 -0.076 0.000 1.159 32 H CB 1.902 31.706 29.762 0.071 0.000 1.757 32 H HN 0.380 nan 8.280 nan 0.000 0.546 33 I N 2.451 123.062 120.570 0.067 0.000 2.478 33 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 33 I C -1.015 175.140 176.117 0.063 0.000 1.042 33 I CA -0.640 60.705 61.300 0.074 0.000 1.067 33 I CB 1.864 39.835 38.000 -0.048 0.000 1.233 33 I HN 0.304 nan 8.210 nan 0.000 0.431 34 F N 8.067 128.006 119.950 -0.018 0.000 2.313 34 F HA 0.532 5.059 4.527 0.000 0.000 0.369 34 F C -0.354 175.397 175.800 -0.081 0.000 1.109 34 F CA -0.877 57.110 58.000 -0.021 0.000 1.132 34 F CB 0.526 39.588 39.000 0.103 0.000 1.291 34 F HN 0.209 nan 8.300 nan 0.000 0.496 35 I N 7.300 127.580 120.570 -0.483 0.000 2.301 35 I HA 0.184 4.354 4.170 -0.000 0.000 0.292 35 I C -0.056 175.781 176.117 -0.465 0.000 1.046 35 I CA 0.044 61.084 61.300 -0.434 0.000 1.282 35 I CB 0.565 38.201 38.000 -0.608 0.000 1.409 35 I HN 0.363 nan 8.210 nan 0.000 0.484 36 I N 6.981 127.351 120.570 -0.335 0.000 2.282 36 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 36 I C -0.218 175.881 176.117 -0.029 0.000 1.090 36 I CA -0.416 60.713 61.300 -0.285 0.000 1.231 36 I CB 0.187 37.965 38.000 -0.369 0.000 1.434 36 I HN 0.374 nan 8.210 nan 0.000 0.487 37 M N 4.646 124.256 119.600 0.018 0.000 2.227 37 M HA 0.207 4.687 4.480 -0.000 0.000 0.349 37 M C 1.080 177.463 176.300 0.138 0.000 1.443 37 M CA 0.070 55.424 55.300 0.091 0.000 1.110 37 M CB -0.235 32.395 32.600 0.051 0.000 1.773 37 M HN 0.854 nan 8.290 nan 0.000 0.463 38 G N 2.763 111.717 108.800 0.257 0.000 2.203 38 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.231 38 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.231 38 G C 0.849 175.899 174.900 0.249 0.000 1.058 38 G CA 0.308 45.562 45.100 0.255 0.000 0.781 38 G HN 0.978 nan 8.290 nan 0.000 0.496 39 A N 0.029 123.032 122.820 0.305 0.000 2.131 39 A HA 0.185 4.505 4.320 -0.000 0.000 0.220 39 A C 2.556 180.361 177.584 0.368 0.000 1.158 39 A CA 2.574 54.834 52.037 0.371 0.000 0.665 39 A CB -0.438 18.872 19.000 0.518 0.000 0.795 39 A HN 1.773 nan 8.150 nan 0.000 0.460 40 S N -0.624 115.259 115.700 0.305 0.000 2.478 40 S HA 0.273 4.743 4.470 -0.000 0.000 0.222 40 S C 1.287 175.981 174.600 0.157 0.000 1.008 40 S CA 0.265 58.591 58.200 0.211 0.000 0.928 40 S CB -0.792 62.526 63.200 0.196 0.000 0.781 40 S HN 0.723 nan 8.310 nan 0.000 0.518 41 G N 1.238 110.134 108.800 0.161 0.000 2.630 41 G HA2 0.189 4.149 3.960 -0.000 0.000 0.236 41 G HA3 0.189 4.149 3.960 -0.000 0.000 0.236 41 G C 0.103 175.047 174.900 0.073 0.000 1.248 41 G CA -0.134 45.033 45.100 0.111 0.000 0.844 41 G HN 0.145 nan 8.290 nan 0.000 0.588 42 D N -0.308 120.122 120.400 0.049 0.000 2.116 42 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 42 D C 2.457 178.739 176.300 -0.031 0.000 0.998 42 D CA 0.950 54.961 54.000 0.018 0.000 0.836 42 D CB -0.056 40.760 40.800 0.027 0.000 0.951 42 D HN 0.237 nan 8.370 nan 0.000 0.449 43 L N 0.239 121.452 121.223 -0.017 0.000 2.079 43 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 43 L C 1.976 178.773 176.870 -0.121 0.000 1.081 43 L CA 1.916 56.715 54.840 -0.069 0.000 0.752 43 L CB -0.844 41.212 42.059 -0.005 0.000 0.896 43 L HN 0.029 nan 8.230 nan 0.000 0.433 44 A N 0.507 123.303 122.820 -0.040 0.000 1.835 44 A HA -0.250 4.070 4.320 -0.000 0.000 0.215 44 A C 2.249 179.878 177.584 0.075 0.000 1.199 44 A CA 2.118 54.152 52.037 -0.005 0.000 0.615 44 A CB -0.733 18.342 19.000 0.125 0.000 0.838 44 A HN 0.620 nan 8.150 nan 0.000 0.444 45 K N -0.277 120.174 120.400 0.085 0.000 2.209 45 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 45 K C 1.550 177.937 176.600 -0.355 0.000 1.048 45 K CA 1.710 57.991 56.287 -0.010 0.000 0.940 45 K CB -0.165 32.337 32.500 0.003 0.000 0.729 45 K HN 0.421 nan 8.250 nan 0.000 0.451 46 K N -0.307 119.833 120.400 -0.434 0.000 2.334 46 K HA 0.073 4.393 4.320 -0.000 0.000 0.195 46 K C 1.518 177.715 176.600 -0.672 0.000 1.045 46 K CA 0.532 56.343 56.287 -0.794 0.000 1.004 46 K CB 0.370 32.584 32.500 -0.476 0.000 0.837 46 K HN -0.008 nan 8.250 nan 0.000 0.510 47 K N -0.069 120.048 120.400 -0.472 0.000 2.625 47 K HA 0.181 4.501 4.320 -0.000 0.000 0.202 47 K C 1.653 177.979 176.600 -0.457 0.000 1.412 47 K CA 0.036 56.030 56.287 -0.488 0.000 0.989 47 K CB 0.265 32.441 32.500 -0.540 0.000 1.682 47 K HN -0.191 nan 8.250 nan 0.000 0.496 48 I N 1.173 121.502 120.570 -0.401 0.000 2.099 48 I HA -0.269 3.901 4.170 -0.000 0.000 0.239 48 I C 2.027 178.009 176.117 -0.226 0.000 1.066 48 I CA 1.802 62.882 61.300 -0.367 0.000 1.324 48 I CB -1.231 36.475 38.000 -0.490 0.000 1.037 48 I HN 0.166 nan 8.210 nan 0.000 0.401 49 Y N 0.916 121.128 120.300 -0.146 0.000 2.097 49 Y HA -0.174 4.376 4.550 -0.000 0.000 0.282 49 Y C 0.061 175.852 175.900 -0.182 0.000 1.152 49 Y CA 2.200 60.279 58.100 -0.035 0.000 1.136 49 Y CB -2.266 36.211 38.460 0.028 0.000 0.975 49 Y HN 0.184 nan 8.280 nan 0.000 0.498 50 P HA -0.173 nan 4.420 nan 0.000 0.214 50 P C 1.685 178.179 177.300 -1.343 0.000 1.163 50 P CA 2.839 65.412 63.100 -0.880 0.000 0.889 50 P CB -0.173 30.879 31.700 -1.080 0.000 0.790 51 T N -0.237 113.784 114.554 -0.888 0.000 2.635 51 T HA -0.210 4.141 4.350 -0.000 0.000 0.267 51 T C 1.740 176.305 174.700 -0.225 0.000 1.040 51 T CA 1.361 63.202 62.100 -0.431 0.000 1.156 51 T CB -1.053 67.739 68.868 -0.127 0.000 0.863 51 T HN -0.003 nan 8.240 nan 0.000 0.430 52 I N 0.722 121.192 120.570 -0.167 0.000 2.264 52 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 52 I C 2.000 178.179 176.117 0.103 0.000 1.111 52 I CA 0.964 62.216 61.300 -0.080 0.000 1.382 52 I CB -0.416 37.531 38.000 -0.090 0.000 1.060 52 I HN 0.534 nan 8.210 nan 0.000 0.418 53 W N 0.139 121.304 121.300 -0.226 0.000 2.418 53 W HA -0.150 4.510 4.660 -0.000 0.000 0.292 53 W C 1.893 178.371 176.519 -0.068 0.000 1.213 53 W CA 0.872 57.941 57.345 -0.461 0.000 1.283 53 W CB -1.316 27.502 29.460 -1.071 0.000 1.119 53 W HN 0.173 nan 8.180 nan 0.000 0.542 54 W N 0.507 121.596 121.300 -0.352 0.000 2.358 54 W HA -0.139 4.521 4.660 0.000 0.000 0.303 54 W C 2.181 178.643 176.519 -0.095 0.000 1.208 54 W CA 0.915 58.060 57.345 -0.333 0.000 1.274 54 W CB -1.613 27.622 29.460 -0.376 0.000 1.138 54 W HN -0.086 nan 8.180 nan 0.000 0.515 55 L N -0.690 120.634 121.223 0.168 0.000 2.046 55 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 55 L C 2.358 179.287 176.870 0.097 0.000 1.077 55 L CA 1.636 56.517 54.840 0.068 0.000 0.747 55 L CB -1.680 40.357 42.059 -0.037 0.000 0.896 55 L HN -0.095 nan 8.230 nan 0.000 0.432 56 F N 0.222 120.213 119.950 0.068 0.000 2.113 56 F HA -0.206 4.322 4.527 0.000 0.000 0.297 56 F C 2.784 178.665 175.800 0.135 0.000 1.103 56 F CA 1.734 59.808 58.000 0.122 0.000 1.248 56 F CB -0.367 38.825 39.000 0.320 0.000 0.999 56 F HN 0.003 nan 8.300 nan 0.000 0.475 57 R N 0.379 120.997 120.500 0.197 0.000 2.096 57 R HA -0.190 4.150 4.340 -0.000 0.000 0.240 57 R C 1.251 177.532 176.300 -0.032 0.000 1.139 57 R CA 2.163 58.328 56.100 0.108 0.000 0.952 57 R CB -0.656 29.842 30.300 0.330 0.000 0.854 57 R HN 0.270 nan 8.270 nan 0.000 0.436 58 D N -0.741 119.650 120.400 -0.015 0.000 2.336 58 D HA 0.074 4.714 4.640 -0.000 0.000 0.229 58 D C 0.627 176.872 176.300 -0.092 0.000 1.061 58 D CA 1.013 54.983 54.000 -0.049 0.000 0.875 58 D CB 0.211 40.988 40.800 -0.037 0.000 0.904 58 D HN 0.543 nan 8.370 nan 0.000 0.525 59 G N 1.172 109.878 108.800 -0.156 0.000 2.295 59 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.287 59 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.287 59 G C 0.662 175.487 174.900 -0.125 0.000 1.055 59 G CA -0.041 44.952 45.100 -0.178 0.000 0.922 59 G HN 0.272 nan 8.290 nan 0.000 0.503 60 L N -0.960 120.191 121.223 -0.120 0.000 2.515 60 L HA 0.445 4.785 4.340 -0.000 0.000 0.223 60 L C 1.776 178.522 176.870 -0.205 0.000 1.079 60 L CA 0.499 55.261 54.840 -0.130 0.000 0.857 60 L CB -0.055 41.936 42.059 -0.113 0.000 1.050 60 L HN 0.416 nan 8.230 nan 0.000 0.476 61 L N 0.560 121.661 121.223 -0.203 0.000 2.395 61 L HA 0.287 4.627 4.340 -0.000 0.000 0.269 61 L C -1.782 174.990 176.870 -0.163 0.000 1.133 61 L CA -1.850 52.815 54.840 -0.291 0.000 0.812 61 L CB 0.287 42.260 42.059 -0.143 0.000 1.125 61 L HN -0.083 nan 8.230 nan 0.000 0.452 62 P HA 0.001 nan 4.420 nan 0.000 0.268 62 P C 0.456 177.757 177.300 0.001 0.000 1.208 62 P CA -0.192 62.871 63.100 -0.062 0.000 0.777 62 P CB 0.590 32.242 31.700 -0.079 0.000 0.875 63 E N 0.768 120.982 120.200 0.022 0.000 2.049 63 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 63 E C 0.077 176.672 176.600 -0.008 0.000 1.007 63 E CA 1.201 57.614 56.400 0.023 0.000 0.809 63 E CB -0.190 29.527 29.700 0.029 0.000 0.749 63 E HN 0.468 nan 8.360 nan 0.000 0.450 64 N N 1.662 120.355 118.700 -0.011 0.000 2.719 64 N HA 0.092 4.832 4.740 -0.000 0.000 0.243 64 N C -0.987 174.395 175.510 -0.213 0.000 1.104 64 N CA 0.320 53.283 53.050 -0.145 0.000 0.981 64 N CB 1.247 39.709 38.487 -0.041 0.000 1.290 64 N HN -0.078 nan 8.380 nan 0.000 0.513 65 T N 1.504 115.818 114.554 -0.401 0.000 2.893 65 T HA 0.580 4.930 4.350 -0.000 0.000 0.293 65 T C -0.778 173.586 174.700 -0.560 0.000 1.027 65 T CA -0.362 61.579 62.100 -0.265 0.000 0.988 65 T CB 1.001 69.862 68.868 -0.012 0.000 1.043 65 T HN 0.068 nan 8.240 nan 0.000 0.461 66 F N 1.620 121.595 119.950 0.042 0.000 2.565 66 F HA 0.690 5.217 4.527 -0.000 0.000 0.313 66 F C -0.556 175.244 175.800 0.000 0.000 1.091 66 F CA -1.290 56.689 58.000 -0.035 0.000 0.915 66 F CB 1.250 40.227 39.000 -0.038 0.000 1.208 66 F HN 0.298 nan 8.300 nan 0.000 0.453 67 I N 2.939 123.596 120.570 0.145 0.000 2.377 67 I HA 0.547 4.717 4.170 -0.000 0.000 0.293 67 I C -0.750 175.463 176.117 0.160 0.000 0.987 67 I CA -0.676 60.722 61.300 0.163 0.000 1.185 67 I CB 1.728 39.794 38.000 0.110 0.000 1.341 67 I HN 0.211 nan 8.210 nan 0.000 0.455 68 V N 5.401 125.392 119.914 0.129 0.000 2.380 68 V HA 0.640 4.760 4.120 -0.000 0.000 0.286 68 V C 0.435 176.603 176.094 0.123 0.000 1.015 68 V CA -0.673 61.702 62.300 0.125 0.000 0.834 68 V CB 1.371 33.221 31.823 0.045 0.000 1.009 68 V HN 0.874 nan 8.190 nan 0.000 0.428 69 G N 3.065 112.019 108.800 0.257 0.000 2.356 69 G HA2 0.518 4.478 3.960 -0.000 0.000 0.298 69 G HA3 0.518 4.478 3.960 -0.000 0.000 0.298 69 G C -1.529 173.438 174.900 0.111 0.000 1.145 69 G CA -0.247 45.042 45.100 0.316 0.000 0.850 69 G HN 0.587 nan 8.290 nan 0.000 0.487 70 Y N 1.280 121.556 120.300 -0.040 0.000 2.406 70 Y HA 0.683 5.233 4.550 -0.000 0.000 0.340 70 Y C -0.247 175.666 175.900 0.021 0.000 0.975 70 Y CA -0.770 57.211 58.100 -0.200 0.000 1.056 70 Y CB 1.931 40.328 38.460 -0.106 0.000 1.210 70 Y HN 0.924 nan 8.280 nan 0.000 0.448 71 A N 5.801 128.559 122.820 -0.104 0.000 2.599 71 A HA 0.473 4.793 4.320 -0.000 0.000 0.290 71 A C 0.050 177.566 177.584 -0.113 0.000 1.101 71 A CA -0.547 51.614 52.037 0.206 0.000 0.674 71 A CB 1.063 20.288 19.000 0.374 0.000 1.277 71 A HN 0.887 nan 8.150 nan 0.000 0.419 72 R N 0.366 120.813 120.500 -0.089 0.000 2.070 72 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 72 R C 0.778 177.026 176.300 -0.088 0.000 1.138 72 R CA 1.777 57.744 56.100 -0.222 0.000 0.936 72 R CB -1.058 29.131 30.300 -0.186 0.000 0.839 72 R HN 0.773 nan 8.270 nan 0.000 0.429 73 S N 0.877 116.586 115.700 0.016 0.000 2.549 73 S HA 0.316 4.786 4.470 -0.000 0.000 0.283 73 S C 0.480 175.118 174.600 0.062 0.000 1.320 73 S CA -0.188 58.029 58.200 0.029 0.000 1.058 73 S CB 0.898 64.120 63.200 0.037 0.000 0.882 73 S HN 0.619 nan 8.310 nan 0.000 0.498 74 R N 3.060 123.574 120.500 0.024 0.000 2.630 74 R HA 0.295 4.635 4.340 -0.000 0.000 0.286 74 R C -0.026 176.274 176.300 -0.000 0.000 1.391 74 R CA 0.156 56.278 56.100 0.037 0.000 1.027 74 R CB -1.338 28.962 30.300 -0.000 0.000 1.099 74 R HN 0.744 nan 8.270 nan 0.000 0.525 75 L N 2.227 123.436 121.223 -0.024 0.000 2.371 75 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 75 L C 1.653 178.346 176.870 -0.295 0.000 1.124 75 L CA -0.154 54.493 54.840 -0.321 0.000 0.816 75 L CB 1.460 42.973 42.059 -0.911 0.000 1.129 75 L HN 0.892 nan 8.230 nan 0.000 0.448 76 T N 1.639 116.056 114.554 -0.229 0.000 2.791 76 T HA 0.396 4.746 4.350 -0.000 0.000 0.323 76 T C 0.513 175.098 174.700 -0.192 0.000 1.082 76 T CA 0.028 62.032 62.100 -0.159 0.000 1.084 76 T CB 0.106 68.898 68.868 -0.126 0.000 0.992 76 T HN 0.564 nan 8.240 nan 0.000 0.547 77 V N 1.198 121.046 119.914 -0.111 0.000 2.975 77 V HA 0.355 4.475 4.120 -0.000 0.000 0.300 77 V C 2.041 178.077 176.094 -0.098 0.000 1.186 77 V CA 0.976 63.232 62.300 -0.073 0.000 1.311 77 V CB -1.218 30.575 31.823 -0.049 0.000 0.917 77 V HN 1.567 nan 8.190 nan 0.000 0.512 78 A N 3.121 125.930 122.820 -0.020 0.000 1.859 78 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 78 A C 2.194 179.740 177.584 -0.063 0.000 1.209 78 A CA 3.237 55.285 52.037 0.018 0.000 0.639 78 A CB -1.411 17.686 19.000 0.162 0.000 0.835 78 A HN 1.837 nan 8.150 nan 0.000 0.450 79 D N -0.958 119.395 120.400 -0.079 0.000 2.182 79 D HA 0.131 4.771 4.640 -0.000 0.000 0.201 79 D C 1.980 178.133 176.300 -0.244 0.000 0.986 79 D CA 3.191 57.036 54.000 -0.258 0.000 0.847 79 D CB -1.089 39.614 40.800 -0.163 0.000 0.942 79 D HN 0.879 nan 8.370 nan 0.000 0.467 80 I N 0.151 120.627 120.570 -0.156 0.000 2.102 80 I HA 0.195 4.365 4.170 -0.000 0.000 0.228 80 I C 2.593 178.622 176.117 -0.148 0.000 1.057 80 I CA 2.255 63.472 61.300 -0.137 0.000 1.334 80 I CB -1.106 36.830 38.000 -0.106 0.000 1.096 80 I HN 0.275 nan 8.210 nan 0.000 0.396 81 R N 0.409 120.818 120.500 -0.151 0.000 2.193 81 R HA 0.032 4.372 4.340 -0.000 0.000 0.213 81 R C 1.076 177.283 176.300 -0.155 0.000 1.055 81 R CA 0.700 56.711 56.100 -0.149 0.000 0.995 81 R CB -0.183 30.014 30.300 -0.172 0.000 0.893 81 R HN 0.586 nan 8.270 nan 0.000 0.459 82 K N 0.232 120.524 120.400 -0.180 0.000 3.101 82 K HA 0.152 4.472 4.320 -0.000 0.000 0.229 82 K C 0.057 176.566 176.600 -0.153 0.000 1.232 82 K CA 0.086 56.265 56.287 -0.180 0.000 1.210 82 K CB 0.776 33.149 32.500 -0.213 0.000 1.284 82 K HN 0.265 nan 8.250 nan 0.000 0.448 83 Q N -1.382 118.310 119.800 -0.180 0.000 1.977 83 Q HA 0.142 4.482 4.340 -0.000 0.000 0.214 83 Q C 1.379 177.350 176.000 -0.047 0.000 0.740 83 Q CA 0.625 56.291 55.803 -0.229 0.000 0.893 83 Q CB 0.498 28.831 28.738 -0.674 0.000 1.203 83 Q HN 0.232 nan 8.270 nan 0.000 0.436 84 S N 0.666 116.345 115.700 -0.034 0.000 2.387 84 S HA 0.034 4.504 4.470 -0.000 0.000 0.221 84 S C 1.795 176.503 174.600 0.179 0.000 1.041 84 S CA 1.193 59.415 58.200 0.037 0.000 0.959 84 S CB -0.423 62.762 63.200 -0.025 0.000 0.843 84 S HN 0.462 nan 8.310 nan 0.000 0.488 85 E N 1.708 121.980 120.200 0.121 0.000 2.006 85 E HA 0.157 4.507 4.350 -0.000 0.000 0.192 85 E C -1.582 175.166 176.600 0.246 0.000 0.993 85 E CA 1.112 57.617 56.400 0.176 0.000 0.808 85 E CB -1.971 27.771 29.700 0.070 0.000 0.764 85 E HN 0.556 nan 8.360 nan 0.000 0.449 86 P HA 0.478 nan 4.420 nan 0.000 0.282 86 P C -0.378 177.029 177.300 0.179 0.000 1.259 86 P CA 0.008 63.189 63.100 0.135 0.000 0.826 86 P CB 0.827 32.568 31.700 0.069 0.000 1.064 87 F N -2.901 117.370 119.950 0.535 0.000 3.430 87 F HA 0.302 4.829 4.527 -0.000 0.000 0.379 87 F C -0.615 175.466 175.800 0.468 0.000 1.157 87 F CA -0.691 57.498 58.000 0.314 0.000 0.700 87 F CB -1.576 37.452 39.000 0.047 0.000 1.878 87 F HN -0.119 nan 8.300 nan 0.000 0.454 88 F N 5.024 124.952 119.950 -0.038 0.000 2.514 88 F HA 0.286 4.813 4.527 -0.000 0.000 0.399 88 F C 1.089 177.072 175.800 0.306 0.000 1.011 88 F CA 0.125 58.184 58.000 0.099 0.000 1.109 88 F CB -0.005 38.901 39.000 -0.157 0.000 0.980 88 F HN 0.082 nan 8.300 nan 0.000 0.538 89 K N 0.613 121.317 120.400 0.506 0.000 3.335 89 K HA -0.128 4.192 4.320 -0.000 0.000 0.271 89 K C -0.339 176.614 176.600 0.588 0.000 1.105 89 K CA 0.711 57.263 56.287 0.441 0.000 0.799 89 K CB -1.447 31.294 32.500 0.402 0.000 1.309 89 K HN 0.691 nan 8.250 nan 0.000 0.469 90 A N 0.715 123.886 122.820 0.584 0.000 2.304 90 A HA 0.656 4.976 4.320 -0.000 0.000 0.301 90 A C 0.393 178.169 177.584 0.319 0.000 1.132 90 A CA 0.242 52.602 52.037 0.539 0.000 0.819 90 A CB 1.273 20.496 19.000 0.371 0.000 1.094 90 A HN 0.339 nan 8.150 nan 0.000 0.492 91 T N 1.846 116.566 114.554 0.277 0.000 2.824 91 T HA 0.544 4.894 4.350 -0.000 0.000 0.282 91 T C -1.941 172.838 174.700 0.131 0.000 0.993 91 T CA -1.661 60.544 62.100 0.176 0.000 0.967 91 T CB 1.243 70.207 68.868 0.160 0.000 0.960 91 T HN 0.304 nan 8.240 nan 0.000 0.441 92 P HA -0.189 nan 4.420 nan 0.000 0.214 92 P C 1.406 178.746 177.300 0.067 0.000 1.172 92 P CA 1.278 64.418 63.100 0.068 0.000 0.925 92 P CB 0.149 31.879 31.700 0.051 0.000 0.793 93 E N -0.616 119.623 120.200 0.065 0.000 2.409 93 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 93 E C 1.570 178.214 176.600 0.074 0.000 1.024 93 E CA 1.538 57.974 56.400 0.060 0.000 0.861 93 E CB -1.157 28.573 29.700 0.051 0.000 0.788 93 E HN 0.399 nan 8.360 nan 0.000 0.521 94 E N 1.622 121.881 120.200 0.098 0.000 2.489 94 E HA 0.092 4.442 4.350 -0.000 0.000 0.193 94 E C 2.084 178.747 176.600 0.106 0.000 1.057 94 E CA 1.046 57.517 56.400 0.118 0.000 0.866 94 E CB -0.913 28.892 29.700 0.176 0.000 0.916 94 E HN 0.524 nan 8.360 nan 0.000 0.500 95 K N 0.458 120.909 120.400 0.086 0.000 2.107 95 K HA -0.153 4.167 4.320 -0.000 0.000 0.211 95 K C 2.230 178.882 176.600 0.086 0.000 1.049 95 K CA 1.792 58.123 56.287 0.074 0.000 0.927 95 K CB -1.208 31.326 32.500 0.056 0.000 0.714 95 K HN 0.481 nan 8.250 nan 0.000 0.452 96 L N 0.479 121.753 121.223 0.086 0.000 1.955 96 L HA -0.077 4.263 4.340 -0.000 0.000 0.213 96 L C 2.933 179.882 176.870 0.130 0.000 1.072 96 L CA 3.806 58.702 54.840 0.094 0.000 0.755 96 L CB -0.994 41.111 42.059 0.078 0.000 0.888 96 L HN 0.472 nan 8.230 nan 0.000 0.432 97 K N -0.579 119.905 120.400 0.141 0.000 2.211 97 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 97 K C 1.999 178.760 176.600 0.267 0.000 1.047 97 K CA 1.829 58.242 56.287 0.210 0.000 0.935 97 K CB -1.497 31.103 32.500 0.167 0.000 0.728 97 K HN 0.473 nan 8.250 nan 0.000 0.452 98 L N 0.917 122.236 121.223 0.160 0.000 2.017 98 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 98 L C 2.165 179.186 176.870 0.251 0.000 1.073 98 L CA 1.977 56.868 54.840 0.085 0.000 0.745 98 L CB -0.184 41.895 42.059 0.034 0.000 0.894 98 L HN 0.426 nan 8.230 nan 0.000 0.432 99 E N -0.389 119.957 120.200 0.243 0.000 2.106 99 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 99 E C 1.930 178.678 176.600 0.246 0.000 0.984 99 E CA 1.140 57.704 56.400 0.273 0.000 0.806 99 E CB -0.605 29.189 29.700 0.157 0.000 0.750 99 E HN 0.585 nan 8.360 nan 0.000 0.458 100 D N 0.182 120.712 120.400 0.217 0.000 2.104 100 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 100 D C 1.877 178.247 176.300 0.116 0.000 0.994 100 D CA 0.682 54.806 54.000 0.207 0.000 0.830 100 D CB -0.216 40.759 40.800 0.292 0.000 0.959 100 D HN 0.149 nan 8.370 nan 0.000 0.452 101 F N 0.373 120.252 119.950 -0.119 0.000 2.095 101 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 101 F C 1.980 177.465 175.800 -0.525 0.000 1.104 101 F CA 1.413 59.028 58.000 -0.641 0.000 1.232 101 F CB -0.604 37.946 39.000 -0.751 0.000 0.987 101 F HN -0.135 nan 8.300 nan 0.000 0.475 102 F N 0.443 120.392 119.950 -0.002 0.000 2.451 102 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 102 F C 2.414 178.163 175.800 -0.086 0.000 1.101 102 F CA 0.762 58.727 58.000 -0.059 0.000 1.436 102 F CB -1.221 37.805 39.000 0.045 0.000 1.074 102 F HN 0.084 nan 8.300 nan 0.000 0.553 103 A N -0.370 122.485 122.820 0.058 0.000 2.119 103 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 103 A C 2.106 179.719 177.584 0.048 0.000 1.153 103 A CA 0.987 53.065 52.037 0.067 0.000 0.692 103 A CB -0.336 18.715 19.000 0.084 0.000 0.799 103 A HN 0.175 nan 8.150 nan 0.000 0.458 104 R N 0.127 120.575 120.500 -0.087 0.000 2.254 104 R HA 0.194 4.534 4.340 -0.000 0.000 0.195 104 R C 0.512 176.809 176.300 -0.006 0.000 0.957 104 R CA 0.016 56.122 56.100 0.009 0.000 1.024 104 R CB -0.112 30.003 30.300 -0.309 0.000 0.952 104 R HN 0.494 nan 8.270 nan 0.000 0.484 105 N N 0.224 118.845 118.700 -0.132 0.000 2.445 105 N HA 0.212 4.952 4.740 -0.000 0.000 0.264 105 N C -0.520 175.064 175.510 0.122 0.000 1.227 105 N CA 0.526 53.577 53.050 0.000 0.000 0.963 105 N CB 1.293 39.809 38.487 0.049 0.000 1.188 105 N HN 0.134 nan 8.380 nan 0.000 0.491 106 S N -0.175 115.643 115.700 0.196 0.000 2.615 106 S HA 0.398 4.868 4.470 -0.000 0.000 0.268 106 S C -1.686 173.096 174.600 0.305 0.000 1.146 106 S CA -0.908 57.429 58.200 0.229 0.000 0.818 106 S CB 1.594 64.961 63.200 0.278 0.000 1.111 106 S HN 0.599 nan 8.310 nan 0.000 0.465 107 Y N -0.050 120.303 120.300 0.088 0.000 2.576 107 Y HA 0.797 5.347 4.550 -0.000 0.000 0.346 107 Y C -1.575 174.303 175.900 -0.036 0.000 1.018 107 Y CA -0.759 57.375 58.100 0.057 0.000 1.050 107 Y CB 1.994 40.471 38.460 0.028 0.000 1.280 107 Y HN 0.830 nan 8.280 nan 0.000 0.474 108 V N 3.355 122.778 119.914 -0.819 0.000 2.851 108 V HA 0.801 4.921 4.120 -0.000 0.000 0.307 108 V C -0.909 174.530 176.094 -1.093 0.000 1.129 108 V CA -0.616 61.297 62.300 -0.646 0.000 0.932 108 V CB 1.554 33.199 31.823 -0.298 0.000 1.024 108 V HN 0.976 nan 8.190 nan 0.000 0.426 109 A N 2.565 124.989 122.820 -0.660 0.000 2.320 109 A HA 1.072 5.392 4.320 -0.000 0.000 0.334 109 A C 0.190 177.401 177.584 -0.622 0.000 1.147 109 A CA 0.029 51.722 52.037 -0.573 0.000 0.820 109 A CB 1.793 20.708 19.000 -0.142 0.000 1.218 109 A HN 1.933 nan 8.150 nan 0.000 0.482 110 G N -0.049 108.378 108.800 -0.621 0.000 2.325 110 G HA2 0.464 4.424 3.960 -0.000 0.000 0.297 110 G HA3 0.464 4.424 3.960 -0.000 0.000 0.297 110 G C -1.848 172.874 174.900 -0.297 0.000 1.448 110 G CA -0.804 44.064 45.100 -0.386 0.000 0.838 110 G HN 0.669 nan 8.290 nan 0.000 0.579 111 Q N -0.323 119.409 119.800 -0.113 0.000 2.230 111 Q HA 0.325 4.665 4.340 -0.000 0.000 0.248 111 Q C -0.406 175.671 176.000 0.127 0.000 0.915 111 Q CA -0.485 55.245 55.803 -0.122 0.000 0.900 111 Q CB 1.185 29.916 28.738 -0.012 0.000 1.229 111 Q HN 0.596 nan 8.270 nan 0.000 0.439 112 Y N 1.575 122.071 120.300 0.328 0.000 2.885 112 Y HA 0.012 4.562 4.550 -0.000 0.000 0.380 112 Y C 0.851 176.991 175.900 0.400 0.000 1.064 112 Y CA 0.049 58.410 58.100 0.435 0.000 1.676 112 Y CB -0.329 38.310 38.460 0.297 0.000 1.633 112 Y HN 0.595 nan 8.280 nan 0.000 0.473 113 D N -2.175 118.512 120.400 0.477 0.000 1.863 113 D HA -0.071 4.569 4.640 -0.000 0.000 0.459 113 D C -0.277 176.100 176.300 0.129 0.000 0.993 113 D CA 0.061 54.187 54.000 0.210 0.000 0.982 113 D CB -0.418 40.477 40.800 0.158 0.000 1.764 113 D HN 0.318 nan 8.370 nan 0.000 0.538 114 D N 1.984 122.503 120.400 0.198 0.000 2.325 114 D HA 0.315 4.955 4.640 -0.000 0.000 0.251 114 D C 1.153 177.576 176.300 0.205 0.000 1.196 114 D CA -0.078 54.009 54.000 0.146 0.000 0.866 114 D CB 2.036 42.906 40.800 0.117 0.000 1.101 114 D HN 0.160 nan 8.370 nan 0.000 0.476 115 A N 3.387 126.269 122.820 0.103 0.000 2.093 115 A HA -0.140 4.180 4.320 -0.000 0.000 0.222 115 A C 2.169 179.859 177.584 0.177 0.000 1.162 115 A CA 1.913 54.016 52.037 0.111 0.000 0.655 115 A CB -0.546 18.477 19.000 0.037 0.000 0.805 115 A HN 0.765 nan 8.150 nan 0.000 0.461 116 A N -0.464 122.445 122.820 0.147 0.000 1.858 116 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 116 A C 2.479 180.151 177.584 0.147 0.000 1.190 116 A CA 2.135 54.243 52.037 0.119 0.000 0.617 116 A CB -0.978 18.071 19.000 0.082 0.000 0.827 116 A HN 0.495 nan 8.150 nan 0.000 0.443 117 S N -1.066 114.747 115.700 0.187 0.000 2.353 117 S HA -0.179 4.291 4.470 -0.000 0.000 0.222 117 S C 1.839 176.567 174.600 0.213 0.000 1.035 117 S CA 1.720 60.017 58.200 0.161 0.000 1.025 117 S CB -0.694 62.598 63.200 0.154 0.000 0.902 117 S HN 0.628 nan 8.310 nan 0.000 0.440 118 Y N 1.757 122.165 120.300 0.180 0.000 2.315 118 Y HA -0.142 4.408 4.550 -0.000 0.000 0.288 118 Y C 2.713 178.686 175.900 0.121 0.000 1.154 118 Y CA 1.059 59.254 58.100 0.158 0.000 1.229 118 Y CB -0.517 38.003 38.460 0.100 0.000 0.980 118 Y HN 0.195 nan 8.280 nan 0.000 0.540 119 Q N 0.937 120.884 119.800 0.245 0.000 2.046 119 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 119 Q C 2.255 178.328 176.000 0.122 0.000 0.975 119 Q CA 1.990 57.884 55.803 0.153 0.000 0.836 119 Q CB -0.205 28.601 28.738 0.113 0.000 0.896 119 Q HN 0.615 nan 8.270 nan 0.000 0.428 120 R N -0.486 120.081 120.500 0.112 0.000 2.189 120 R HA -0.042 4.298 4.340 -0.000 0.000 0.218 120 R C 2.007 178.376 176.300 0.115 0.000 1.074 120 R CA 1.045 57.197 56.100 0.085 0.000 0.991 120 R CB -0.637 29.690 30.300 0.044 0.000 0.883 120 R HN 0.265 nan 8.270 nan 0.000 0.457 121 L N 2.181 123.493 121.223 0.148 0.000 1.976 121 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 121 L C 2.120 179.081 176.870 0.152 0.000 1.071 121 L CA 2.146 57.095 54.840 0.182 0.000 0.746 121 L CB -0.939 41.242 42.059 0.204 0.000 0.890 121 L HN 0.229 nan 8.230 nan 0.000 0.432 122 N N -0.530 118.252 118.700 0.138 0.000 2.060 122 N HA -0.220 4.520 4.740 -0.000 0.000 0.195 122 N C 1.795 177.345 175.510 0.067 0.000 1.028 122 N CA 1.989 55.100 53.050 0.102 0.000 0.861 122 N CB -0.429 38.120 38.487 0.104 0.000 1.029 122 N HN 0.537 nan 8.380 nan 0.000 0.428 123 S N -0.667 115.081 115.700 0.080 0.000 2.353 123 S HA -0.212 4.258 4.470 -0.000 0.000 0.222 123 S C 1.778 176.426 174.600 0.080 0.000 1.035 123 S CA 1.493 59.732 58.200 0.066 0.000 1.025 123 S CB -0.840 62.400 63.200 0.067 0.000 0.902 123 S HN 0.630 nan 8.310 nan 0.000 0.440 124 H N 1.625 120.694 119.070 -0.002 0.000 2.387 124 H HA 0.032 4.588 4.556 -0.000 0.000 0.299 124 H C 1.914 177.217 175.328 -0.041 0.000 1.099 124 H CA 1.825 57.859 56.048 -0.023 0.000 1.315 124 H CB -0.457 29.292 29.762 -0.021 0.000 1.380 124 H HN 0.351 nan 8.280 nan 0.000 0.513 125 M N -0.315 119.176 119.600 -0.181 0.000 2.099 125 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 125 M C 2.057 178.253 176.300 -0.174 0.000 1.067 125 M CA 1.558 56.710 55.300 -0.247 0.000 1.124 125 M CB -0.172 32.354 32.600 -0.123 0.000 1.353 125 M HN 0.317 nan 8.290 nan 0.000 0.410 126 N N 0.578 119.226 118.700 -0.087 0.000 2.289 126 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 126 N C 1.661 177.133 175.510 -0.063 0.000 1.016 126 N CA 1.413 54.425 53.050 -0.063 0.000 0.872 126 N CB -0.130 38.340 38.487 -0.028 0.000 0.973 126 N HN 0.325 nan 8.380 nan 0.000 0.433 127 A N 0.980 123.765 122.820 -0.058 0.000 2.015 127 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 127 A C 1.000 178.533 177.584 -0.085 0.000 1.163 127 A CA 0.497 52.515 52.037 -0.032 0.000 0.646 127 A CB -0.278 18.749 19.000 0.044 0.000 0.806 127 A HN 0.091 nan 8.150 nan 0.000 0.448 128 L N -0.223 120.885 121.223 -0.192 0.000 2.467 128 L HA 0.043 4.383 4.340 -0.000 0.000 0.270 128 L C 1.125 177.918 176.870 -0.128 0.000 1.205 128 L CA 0.113 54.779 54.840 -0.290 0.000 0.828 128 L CB -0.145 41.617 42.059 -0.494 0.000 1.101 128 L HN 0.462 nan 8.230 nan 0.000 0.479 129 H N 4.656 123.611 119.070 -0.191 0.000 3.248 129 H HA 0.010 4.566 4.556 -0.000 0.000 0.258 129 H C 0.380 175.728 175.328 0.035 0.000 0.923 129 H CA 0.112 56.143 56.048 -0.027 0.000 1.416 129 H CB -0.006 29.794 29.762 0.063 0.000 1.523 129 H HN 0.621 nan 8.280 nan 0.000 0.528 130 L N 3.806 124.899 121.223 -0.217 0.000 4.192 130 L HA -0.237 4.103 4.340 -0.000 0.000 0.403 130 L C 1.841 178.631 176.870 -0.133 0.000 1.163 130 L CA 0.433 55.136 54.840 -0.229 0.000 0.937 130 L CB -1.393 40.447 42.059 -0.365 0.000 2.134 130 L HN 0.824 nan 8.230 nan 0.000 0.754 131 G N -0.011 108.726 108.800 -0.104 0.000 2.442 131 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 131 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 131 G C 1.435 176.277 174.900 -0.097 0.000 1.141 131 G CA 1.074 46.113 45.100 -0.102 0.000 0.763 131 G HN 0.652 nan 8.290 nan 0.000 0.554 132 S N -0.168 115.481 115.700 -0.085 0.000 2.423 132 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 132 S C 2.082 176.626 174.600 -0.094 0.000 1.014 132 S CA 1.144 59.300 58.200 -0.074 0.000 0.965 132 S CB -0.074 63.092 63.200 -0.057 0.000 0.785 132 S HN 0.377 nan 8.310 nan 0.000 0.495 133 Q N 1.378 121.108 119.800 -0.116 0.000 2.259 133 Q HA 0.396 4.736 4.340 -0.000 0.000 0.201 133 Q C 1.190 177.072 176.000 -0.197 0.000 0.938 133 Q CA 0.671 56.392 55.803 -0.138 0.000 0.872 133 Q CB -0.684 27.973 28.738 -0.136 0.000 0.971 133 Q HN 0.648 nan 8.270 nan 0.000 0.494 134 A N 2.228 124.925 122.820 -0.205 0.000 2.555 134 A HA -0.001 4.319 4.320 -0.000 0.000 0.233 134 A C -0.090 177.256 177.584 -0.396 0.000 1.060 134 A CA -0.010 51.856 52.037 -0.284 0.000 0.759 134 A CB -0.326 18.568 19.000 -0.176 0.000 0.995 134 A HN 0.349 nan 8.150 nan 0.000 0.506 135 N N 0.472 118.774 118.700 -0.663 0.000 2.530 135 N HA 0.398 5.138 4.740 -0.000 0.000 0.273 135 N C -0.388 174.737 175.510 -0.641 0.000 1.173 135 N CA -0.099 52.357 53.050 -0.991 0.000 0.967 135 N CB 0.678 37.977 38.487 -1.980 0.000 1.109 135 N HN 0.606 nan 8.380 nan 0.000 0.453 136 R N 1.746 121.998 120.500 -0.414 0.000 2.494 136 R HA 0.469 4.809 4.340 -0.000 0.000 0.305 136 R C -1.111 175.183 176.300 -0.009 0.000 0.959 136 R CA -0.697 55.282 56.100 -0.202 0.000 0.864 136 R CB 1.559 31.848 30.300 -0.018 0.000 1.159 136 R HN 0.377 nan 8.270 nan 0.000 0.446 137 L N 4.055 125.203 121.223 -0.125 0.000 2.343 137 L HA 0.497 4.837 4.340 -0.000 0.000 0.278 137 L C -1.467 175.288 176.870 -0.191 0.000 0.996 137 L CA -0.695 54.177 54.840 0.053 0.000 0.831 137 L CB 0.813 42.943 42.059 0.118 0.000 1.232 137 L HN 0.532 nan 8.230 nan 0.000 0.413 138 F N 4.592 124.502 119.950 -0.067 0.000 2.334 138 F HA 0.278 4.805 4.527 -0.000 0.000 0.367 138 F C -0.331 175.381 175.800 -0.146 0.000 1.115 138 F CA -0.479 57.448 58.000 -0.122 0.000 1.116 138 F CB 0.650 39.596 39.000 -0.090 0.000 1.230 138 F HN 0.313 nan 8.300 nan 0.000 0.484 139 Y N 4.525 124.718 120.300 -0.179 0.000 2.350 139 Y HA 0.438 4.988 4.550 -0.000 0.000 0.340 139 Y C -0.265 175.602 175.900 -0.056 0.000 1.006 139 Y CA -1.045 56.982 58.100 -0.123 0.000 1.166 139 Y CB 0.744 39.048 38.460 -0.259 0.000 1.168 139 Y HN 0.400 nan 8.280 nan 0.000 0.502 140 L N 7.170 128.426 121.223 0.056 0.000 2.389 140 L HA 0.356 4.696 4.340 -0.000 0.000 0.265 140 L C 0.511 177.579 176.870 0.330 0.000 1.167 140 L CA -0.423 54.500 54.840 0.138 0.000 1.045 140 L CB 0.055 42.076 42.059 -0.064 0.000 1.351 140 L HN 0.796 nan 8.230 nan 0.000 0.419 141 A N 4.890 127.924 122.820 0.356 0.000 3.197 141 A HA 0.541 4.861 4.320 -0.000 0.000 0.263 141 A C -0.078 177.612 177.584 0.176 0.000 1.524 141 A CA -0.173 52.037 52.037 0.289 0.000 1.176 141 A CB -0.493 18.597 19.000 0.150 0.000 1.096 141 A HN 0.576 nan 8.150 nan 0.000 0.655 142 L N -3.716 117.616 121.223 0.182 0.000 2.479 142 L HA 0.744 5.084 4.340 -0.000 0.000 0.255 142 L C -2.963 173.881 176.870 -0.043 0.000 1.026 142 L CA -2.426 52.442 54.840 0.047 0.000 0.842 142 L CB 0.723 42.724 42.059 -0.097 0.000 1.444 142 L HN -0.090 nan 8.230 nan 0.000 0.409 143 P HA 0.098 nan 4.420 nan 0.000 0.261 143 P C -2.225 174.754 177.300 -0.535 0.000 1.173 143 P CA -0.649 62.319 63.100 -0.220 0.000 0.760 143 P CB 0.157 31.790 31.700 -0.111 0.000 0.783 144 P HA -0.184 nan 4.420 nan 0.000 0.219 144 P C 1.352 178.411 177.300 -0.402 0.000 1.144 144 P CA 1.705 64.238 63.100 -0.944 0.000 0.806 144 P CB -0.363 31.156 31.700 -0.302 0.000 0.771 145 T N -1.893 112.536 114.554 -0.209 0.000 2.708 145 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 145 T C 1.759 176.442 174.700 -0.029 0.000 1.037 145 T CA 1.369 63.429 62.100 -0.066 0.000 1.146 145 T CB -1.216 67.638 68.868 -0.024 0.000 0.865 145 T HN -0.036 nan 8.240 nan 0.000 0.435 146 V N 0.288 120.170 119.914 -0.054 0.000 2.809 146 V HA -0.101 4.019 4.120 -0.000 0.000 0.256 146 V C 2.237 178.413 176.094 0.137 0.000 1.080 146 V CA 0.820 63.139 62.300 0.033 0.000 1.102 146 V CB -1.152 30.652 31.823 -0.032 0.000 0.705 146 V HN 0.331 nan 8.190 nan 0.000 0.475 147 Y N 1.408 121.723 120.300 0.025 0.000 2.062 147 Y HA -0.347 4.203 4.550 0.000 0.000 0.276 147 Y C 2.662 178.614 175.900 0.087 0.000 1.189 147 Y CA 1.869 59.994 58.100 0.041 0.000 1.130 147 Y CB -1.068 37.422 38.460 0.051 0.000 0.959 147 Y HN 0.397 nan 8.280 nan 0.000 0.499 148 E N -0.354 119.999 120.200 0.254 0.000 2.070 148 E HA -0.256 4.094 4.350 -0.000 0.000 0.197 148 E C 2.329 179.020 176.600 0.151 0.000 1.004 148 E CA 1.637 58.120 56.400 0.140 0.000 0.805 148 E CB -0.260 29.380 29.700 -0.100 0.000 0.744 148 E HN 0.381 nan 8.360 nan 0.000 0.451 149 A N 0.153 123.034 122.820 0.103 0.000 1.841 149 A HA -0.131 4.189 4.320 -0.000 0.000 0.214 149 A C 2.471 180.110 177.584 0.092 0.000 1.195 149 A CA 1.568 53.654 52.037 0.082 0.000 0.611 149 A CB -0.891 18.168 19.000 0.098 0.000 0.835 149 A HN 0.217 nan 8.150 nan 0.000 0.443 150 V N 0.126 120.136 119.914 0.159 0.000 2.278 150 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 150 V C 2.749 178.913 176.094 0.117 0.000 1.062 150 V CA 2.668 65.080 62.300 0.186 0.000 1.038 150 V CB -1.551 30.379 31.823 0.178 0.000 0.646 150 V HN 0.627 nan 8.190 nan 0.000 0.447 151 T N -0.202 114.429 114.554 0.130 0.000 2.684 151 T HA -0.290 4.060 4.350 -0.000 0.000 0.267 151 T C 1.910 176.724 174.700 0.190 0.000 1.036 151 T CA 2.087 64.270 62.100 0.139 0.000 1.148 151 T CB -0.289 68.651 68.868 0.119 0.000 0.863 151 T HN 0.601 nan 8.240 nan 0.000 0.436 152 K N 1.159 121.667 120.400 0.180 0.000 2.001 152 K HA -0.198 4.122 4.320 -0.000 0.000 0.214 152 K C 2.122 178.717 176.600 -0.009 0.000 1.050 152 K CA 1.809 58.157 56.287 0.102 0.000 0.934 152 K CB -0.260 32.301 32.500 0.102 0.000 0.718 152 K HN 0.215 nan 8.250 nan 0.000 0.443 153 N N 1.046 119.651 118.700 -0.157 0.000 2.120 153 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 153 N C 2.082 177.504 175.510 -0.147 0.000 1.024 153 N CA 1.615 54.445 53.050 -0.367 0.000 0.852 153 N CB -0.280 37.458 38.487 -1.248 0.000 1.003 153 N HN 0.326 nan 8.380 nan 0.000 0.424 154 I N 0.923 121.481 120.570 -0.020 0.000 2.208 154 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 154 I C 2.522 178.607 176.117 -0.052 0.000 1.097 154 I CA 1.134 62.425 61.300 -0.015 0.000 1.363 154 I CB -0.492 37.401 38.000 -0.179 0.000 1.051 154 I HN 0.283 nan 8.210 nan 0.000 0.413 155 H N 1.491 120.500 119.070 -0.102 0.000 2.387 155 H HA -0.143 4.413 4.556 0.000 0.000 0.299 155 H C 1.916 177.132 175.328 -0.187 0.000 1.090 155 H CA 1.856 57.747 56.048 -0.262 0.000 1.332 155 H CB 0.256 29.785 29.762 -0.388 0.000 1.386 155 H HN 0.464 nan 8.280 nan 0.000 0.516 156 E N 0.024 120.232 120.200 0.014 0.000 2.011 156 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 156 E C 2.398 178.975 176.600 -0.039 0.000 0.979 156 E CA 1.411 57.807 56.400 -0.006 0.000 0.822 156 E CB 0.056 29.759 29.700 0.006 0.000 0.782 156 E HN 0.447 nan 8.360 nan 0.000 0.459 157 S N -0.359 115.342 115.700 0.000 0.000 2.501 157 S HA 0.015 4.485 4.470 -0.000 0.000 0.220 157 S C 1.801 176.443 174.600 0.069 0.000 0.997 157 S CA 0.151 58.377 58.200 0.043 0.000 0.919 157 S CB 0.154 63.410 63.200 0.093 0.000 0.778 157 S HN 0.235 nan 8.310 nan 0.000 0.523 158 C N 0.810 120.153 119.300 0.071 0.000 3.228 158 C HA 0.499 4.959 4.460 -0.000 0.000 0.290 158 C C 0.718 175.782 174.990 0.124 0.000 1.301 158 C CA -0.864 58.240 59.018 0.143 0.000 1.703 158 C CB -1.337 26.571 27.740 0.279 0.000 2.141 158 C HN 0.473 nan 8.230 nan 0.000 0.656 159 M N 1.580 121.167 119.600 -0.021 0.000 2.252 159 M HA 0.063 4.543 4.480 -0.000 0.000 0.329 159 M C 0.607 176.909 176.300 0.002 0.000 1.101 159 M CA 0.745 56.018 55.300 -0.045 0.000 1.117 159 M CB 0.411 32.883 32.600 -0.214 0.000 1.563 159 M HN 0.194 nan 8.290 nan 0.000 0.445 160 S N 2.114 117.827 115.700 0.022 0.000 2.499 160 S HA 0.175 4.645 4.470 -0.000 0.000 0.279 160 S C 0.885 175.460 174.600 -0.042 0.000 1.219 160 S CA -0.716 57.475 58.200 -0.015 0.000 1.062 160 S CB 0.709 63.884 63.200 -0.042 0.000 0.978 160 S HN 0.735 nan 8.310 nan 0.000 0.489 161 Q N 2.330 122.102 119.800 -0.048 0.000 2.124 161 Q HA 0.061 4.401 4.340 -0.000 0.000 0.202 161 Q C 0.157 176.128 176.000 -0.048 0.000 0.977 161 Q CA 1.190 56.964 55.803 -0.049 0.000 0.850 161 Q CB 0.044 28.756 28.738 -0.044 0.000 0.901 161 Q HN 0.567 nan 8.270 nan 0.000 0.429 162 I N -0.919 119.614 120.570 -0.061 0.000 2.689 162 I HA 0.477 4.647 4.170 -0.000 0.000 0.299 162 I C 0.464 176.518 176.117 -0.106 0.000 1.059 162 I CA -0.075 61.184 61.300 -0.068 0.000 1.055 162 I CB 1.290 39.247 38.000 -0.072 0.000 1.243 162 I HN 0.266 nan 8.210 nan 0.000 0.425 163 G N 4.773 113.511 108.800 -0.103 0.000 2.758 163 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 163 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 163 G C -0.547 174.284 174.900 -0.115 0.000 1.389 163 G CA -0.455 44.525 45.100 -0.200 0.000 0.845 163 G HN 0.775 nan 8.290 nan 0.000 0.572 164 W N 0.166 121.449 121.300 -0.028 0.000 2.161 164 W HA 0.633 5.293 4.660 -0.000 0.000 0.344 164 W C -0.169 176.361 176.519 0.018 0.000 1.262 164 W CA -0.626 56.716 57.345 -0.005 0.000 1.270 164 W CB 0.365 29.822 29.460 -0.005 0.000 1.126 164 W HN 0.568 nan 8.180 nan 0.000 0.598 165 N N 1.425 120.406 118.700 0.469 0.000 2.461 165 N HA 0.406 5.146 4.740 -0.000 0.000 0.284 165 N C -1.278 174.477 175.510 0.409 0.000 1.049 165 N CA -0.788 52.514 53.050 0.419 0.000 0.889 165 N CB 2.080 40.738 38.487 0.284 0.000 1.365 165 N HN 0.216 nan 8.380 nan 0.000 0.499 166 R N 1.579 122.311 120.500 0.388 0.000 2.686 166 R HA 0.571 4.911 4.340 -0.000 0.000 0.286 166 R C -1.143 175.204 176.300 0.079 0.000 0.969 166 R CA -0.785 55.383 56.100 0.112 0.000 0.898 166 R CB 2.471 32.624 30.300 -0.245 0.000 1.183 166 R HN 0.451 nan 8.270 nan 0.000 0.456 167 I N 3.649 124.173 120.570 -0.077 0.000 2.433 167 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 167 I C -1.019 175.004 176.117 -0.157 0.000 1.001 167 I CA -0.917 60.286 61.300 -0.162 0.000 1.119 167 I CB 1.253 38.961 38.000 -0.487 0.000 1.289 167 I HN 0.576 nan 8.210 nan 0.000 0.438 168 I N 7.918 128.374 120.570 -0.192 0.000 2.339 168 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 168 I C -0.627 175.282 176.117 -0.347 0.000 0.994 168 I CA -0.799 60.357 61.300 -0.240 0.000 1.191 168 I CB 1.682 39.414 38.000 -0.446 0.000 1.343 168 I HN 0.216 nan 8.210 nan 0.000 0.458 169 V N 6.229 126.000 119.914 -0.239 0.000 2.370 169 V HA 0.126 4.246 4.120 -0.000 0.000 0.279 169 V C 0.950 176.987 176.094 -0.094 0.000 1.029 169 V CA -0.278 61.856 62.300 -0.277 0.000 0.870 169 V CB 1.566 33.191 31.823 -0.329 0.000 0.984 169 V HN 0.749 nan 8.190 nan 0.000 0.451 170 E N 4.205 124.429 120.200 0.041 0.000 2.028 170 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 170 E C 0.638 177.382 176.600 0.241 0.000 0.988 170 E CA 1.540 58.072 56.400 0.220 0.000 0.799 170 E CB 0.192 30.105 29.700 0.355 0.000 0.755 170 E HN 0.612 nan 8.360 nan 0.000 0.447 171 K N 0.312 120.901 120.400 0.315 0.000 2.484 171 K HA 0.215 4.535 4.320 -0.000 0.000 0.226 171 K C -2.258 174.508 176.600 0.277 0.000 1.031 171 K CA -1.533 54.918 56.287 0.274 0.000 1.026 171 K CB 1.664 34.311 32.500 0.246 0.000 1.412 171 K HN 0.004 nan 8.250 nan 0.000 0.492 172 P HA -0.126 nan 4.420 nan 0.000 0.220 172 P C -0.297 177.004 177.300 0.002 0.000 1.148 172 P CA 0.929 64.023 63.100 -0.009 0.000 0.803 172 P CB 0.189 31.778 31.700 -0.186 0.000 0.782 173 F N -0.784 119.223 119.950 0.095 0.000 2.420 173 F HA 0.391 4.918 4.527 -0.000 0.000 0.352 173 F C 1.719 177.683 175.800 0.273 0.000 1.108 173 F CA -0.257 57.851 58.000 0.181 0.000 1.162 173 F CB 0.663 39.629 39.000 -0.057 0.000 1.118 173 F HN -0.139 nan 8.300 nan 0.000 0.510 174 G N 2.852 112.024 108.800 0.620 0.000 2.908 174 G HA2 0.125 4.085 3.960 -0.000 0.000 0.188 174 G HA3 0.125 4.085 3.960 -0.000 0.000 0.188 174 G C 1.178 176.329 174.900 0.419 0.000 1.903 174 G CA 0.466 45.795 45.100 0.383 0.000 0.883 174 G HN 0.557 nan 8.290 nan 0.000 0.515 175 R N -0.168 120.532 120.500 0.333 0.000 3.578 175 R HA 0.122 4.462 4.340 -0.000 0.000 0.131 175 R C -0.979 175.437 176.300 0.192 0.000 0.722 175 R CA 0.667 56.967 56.100 0.333 0.000 1.328 175 R CB -0.577 29.922 30.300 0.330 0.000 1.650 175 R HN 0.374 nan 8.270 nan 0.000 0.485 176 D N 1.204 121.590 120.400 -0.023 0.000 2.192 176 D HA 0.226 4.866 4.640 -0.000 0.000 0.246 176 D C 1.309 177.313 176.300 -0.493 0.000 1.042 176 D CA -0.529 53.378 54.000 -0.155 0.000 0.847 176 D CB 1.535 42.286 40.800 -0.081 0.000 1.186 176 D HN 0.018 nan 8.370 nan 0.000 0.461 177 L N 3.557 124.409 121.223 -0.619 0.000 2.058 177 L HA -0.339 4.001 4.340 -0.000 0.000 0.226 177 L C 1.719 178.259 176.870 -0.549 0.000 1.089 177 L CA 2.174 56.555 54.840 -0.764 0.000 0.799 177 L CB -0.846 41.047 42.059 -0.277 0.000 0.900 177 L HN 0.694 nan 8.230 nan 0.000 0.442 178 Q N -1.197 118.419 119.800 -0.308 0.000 2.020 178 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 178 Q C 2.199 178.083 176.000 -0.192 0.000 0.974 178 Q CA 2.034 57.714 55.803 -0.204 0.000 0.829 178 Q CB -0.283 28.379 28.738 -0.127 0.000 0.894 178 Q HN 0.783 nan 8.270 nan 0.000 0.433 179 S N -0.111 115.485 115.700 -0.174 0.000 2.442 179 S HA -0.055 4.415 4.470 -0.000 0.000 0.236 179 S C 1.752 176.271 174.600 -0.134 0.000 1.007 179 S CA 1.150 59.281 58.200 -0.115 0.000 0.965 179 S CB -0.031 63.127 63.200 -0.072 0.000 0.773 179 S HN 0.066 nan 8.310 nan 0.000 0.504 180 S N 0.847 116.368 115.700 -0.298 0.000 2.556 180 S HA 0.231 4.701 4.470 -0.000 0.000 0.216 180 S C 0.637 175.021 174.600 -0.360 0.000 0.970 180 S CA 0.012 57.986 58.200 -0.376 0.000 0.912 180 S CB 0.077 62.762 63.200 -0.858 0.000 0.790 180 S HN 0.497 nan 8.310 nan 0.000 0.504 181 D N 1.474 121.715 120.400 -0.265 0.000 2.566 181 D HA 0.125 4.765 4.640 -0.000 0.000 0.253 181 D C 2.053 178.326 176.300 -0.044 0.000 0.992 181 D CA 0.260 54.184 54.000 -0.126 0.000 0.940 181 D CB 0.068 40.794 40.800 -0.123 0.000 1.095 181 D HN 0.016 nan 8.370 nan 0.000 0.480 182 R N 0.777 121.245 120.500 -0.053 0.000 2.136 182 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 182 R C 2.289 178.612 176.300 0.039 0.000 1.131 182 R CA 1.254 57.347 56.100 -0.012 0.000 0.937 182 R CB -0.879 29.403 30.300 -0.029 0.000 0.863 182 R HN 0.266 nan 8.270 nan 0.000 0.435 183 L N 0.543 121.793 121.223 0.046 0.000 2.012 183 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 183 L C 2.484 179.433 176.870 0.131 0.000 1.073 183 L CA 1.929 56.838 54.840 0.115 0.000 0.748 183 L CB -0.298 41.839 42.059 0.130 0.000 0.891 183 L HN 0.267 nan 8.230 nan 0.000 0.431 184 S N 0.141 115.893 115.700 0.087 0.000 2.359 184 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 184 S C 1.595 176.224 174.600 0.048 0.000 1.035 184 S CA 1.662 59.901 58.200 0.064 0.000 1.018 184 S CB -0.490 62.753 63.200 0.071 0.000 0.876 184 S HN 0.525 nan 8.310 nan 0.000 0.448 185 N N 0.678 119.409 118.700 0.052 0.000 2.205 185 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 185 N C 1.509 177.054 175.510 0.058 0.000 1.015 185 N CA 1.360 54.435 53.050 0.042 0.000 0.862 185 N CB -0.624 37.883 38.487 0.033 0.000 0.986 185 N HN 0.632 nan 8.380 nan 0.000 0.429 186 H N 0.740 119.812 119.070 0.003 0.000 2.333 186 H HA 0.146 4.702 4.556 0.000 0.000 0.302 186 H C 1.978 177.317 175.328 0.017 0.000 1.075 186 H CA 1.280 57.329 56.048 0.001 0.000 1.348 186 H CB -0.297 29.470 29.762 0.009 0.000 1.393 186 H HN 0.115 nan 8.280 nan 0.000 0.509 187 I N -0.139 120.312 120.570 -0.198 0.000 2.252 187 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 187 I C 2.083 178.170 176.117 -0.050 0.000 1.102 187 I CA 1.306 62.489 61.300 -0.195 0.000 1.385 187 I CB -0.321 37.612 38.000 -0.111 0.000 1.064 187 I HN 0.225 nan 8.210 nan 0.000 0.414 188 S N 0.568 116.248 115.700 -0.034 0.000 2.500 188 S HA -0.101 4.369 4.470 -0.000 0.000 0.239 188 S C 1.925 176.511 174.600 -0.024 0.000 0.989 188 S CA 1.341 59.538 58.200 -0.006 0.000 0.951 188 S CB -0.298 62.898 63.200 -0.007 0.000 0.759 188 S HN 0.603 nan 8.310 nan 0.000 0.523 189 S N 0.438 116.095 115.700 -0.071 0.000 2.548 189 S HA 0.298 4.768 4.470 -0.000 0.000 0.215 189 S C 1.362 175.851 174.600 -0.186 0.000 0.976 189 S CA -0.131 58.011 58.200 -0.097 0.000 0.908 189 S CB -0.183 62.971 63.200 -0.078 0.000 0.781 189 S HN 0.413 nan 8.310 nan 0.000 0.519 190 L N -1.239 119.849 121.223 -0.227 0.000 2.445 190 L HA 0.494 4.834 4.340 -0.000 0.000 0.207 190 L C -0.273 176.381 176.870 -0.361 0.000 1.053 190 L CA 0.311 54.853 54.840 -0.498 0.000 0.841 190 L CB 0.034 41.757 42.059 -0.560 0.000 1.074 190 L HN 0.212 nan 8.230 nan 0.000 0.479 191 F N 0.484 120.384 119.950 -0.084 0.000 2.522 191 F HA 0.466 4.993 4.527 -0.000 0.000 0.324 191 F C 0.473 176.251 175.800 -0.037 0.000 1.077 191 F CA -1.082 56.909 58.000 -0.016 0.000 0.944 191 F CB 1.119 40.099 39.000 -0.033 0.000 1.175 191 F HN -0.086 nan 8.300 nan 0.000 0.468 192 R N 0.376 120.971 120.500 0.159 0.000 2.532 192 R HA 0.415 4.755 4.340 -0.000 0.000 0.272 192 R C 0.586 176.922 176.300 0.060 0.000 1.032 192 R CA -0.622 55.522 56.100 0.073 0.000 1.089 192 R CB 0.831 31.154 30.300 0.038 0.000 1.098 192 R HN 0.616 nan 8.270 nan 0.000 0.526 193 E N 1.185 121.390 120.200 0.008 0.000 2.164 193 E HA -0.260 4.090 4.350 -0.000 0.000 0.206 193 E C 0.702 177.263 176.600 -0.065 0.000 1.032 193 E CA 2.346 58.724 56.400 -0.037 0.000 0.832 193 E CB -0.198 29.469 29.700 -0.055 0.000 0.742 193 E HN 0.801 nan 8.360 nan 0.000 0.460 194 D N -0.830 119.547 120.400 -0.040 0.000 2.355 194 D HA -0.115 4.525 4.640 -0.000 0.000 0.253 194 D C 0.621 176.950 176.300 0.048 0.000 1.187 194 D CA 0.346 54.315 54.000 -0.051 0.000 0.900 194 D CB 0.052 40.827 40.800 -0.042 0.000 0.915 194 D HN 0.404 nan 8.370 nan 0.000 0.516 195 Q N -0.256 119.601 119.800 0.095 0.000 2.171 195 Q HA 0.274 4.614 4.340 -0.000 0.000 0.250 195 Q C 0.387 176.490 176.000 0.172 0.000 0.791 195 Q CA -0.111 55.807 55.803 0.192 0.000 0.950 195 Q CB 1.432 30.329 28.738 0.265 0.000 1.151 195 Q HN 0.264 nan 8.270 nan 0.000 0.480 196 I N 1.808 122.407 120.570 0.048 0.000 2.301 196 I HA 0.163 4.333 4.170 -0.000 0.000 0.292 196 I C -1.037 175.057 176.117 -0.037 0.000 1.046 196 I CA -0.476 60.804 61.300 -0.033 0.000 1.282 196 I CB 0.273 38.215 38.000 -0.098 0.000 1.409 196 I HN -0.010 nan 8.210 nan 0.000 0.484 197 Y N 6.022 126.233 120.300 -0.148 0.000 2.587 197 Y HA 0.394 4.944 4.550 -0.000 0.000 0.328 197 Y C 0.317 176.316 175.900 0.165 0.000 0.980 197 Y CA -0.750 57.324 58.100 -0.043 0.000 1.272 197 Y CB 0.570 38.909 38.460 -0.201 0.000 1.094 197 Y HN 0.407 nan 8.280 nan 0.000 0.503 198 R N 3.397 124.031 120.500 0.223 0.000 2.267 198 R HA 0.323 4.663 4.340 -0.000 0.000 0.319 198 R C -0.381 175.973 176.300 0.090 0.000 1.067 198 R CA -0.542 55.616 56.100 0.097 0.000 0.936 198 R CB 0.856 31.137 30.300 -0.031 0.000 1.006 198 R HN 0.453 nan 8.270 nan 0.000 0.452 199 I N 2.359 122.942 120.570 0.021 0.000 2.575 199 I HA 0.030 4.200 4.170 -0.000 0.000 0.285 199 I C 0.448 176.558 176.117 -0.011 0.000 1.085 199 I CA 0.543 61.802 61.300 -0.068 0.000 1.403 199 I CB 0.862 38.871 38.000 0.015 0.000 1.409 199 I HN 0.672 nan 8.210 nan 0.000 0.557 200 D N 4.656 125.023 120.400 -0.056 0.000 3.117 200 D HA -0.030 4.610 4.640 -0.000 0.000 0.241 200 D C 1.326 177.626 176.300 0.001 0.000 1.385 200 D CA -0.270 53.786 54.000 0.093 0.000 0.855 200 D CB 0.302 41.149 40.800 0.078 0.000 1.498 200 D HN 0.665 nan 8.370 nan 0.000 0.584 201 H N 0.848 119.839 119.070 -0.131 0.000 2.505 201 H HA -0.240 4.316 4.556 -0.000 0.000 0.295 201 H C 0.457 175.658 175.328 -0.211 0.000 1.121 201 H CA 1.224 57.090 56.048 -0.302 0.000 1.217 201 H CB -0.286 29.224 29.762 -0.420 0.000 1.357 201 H HN 0.376 nan 8.280 nan 0.000 0.533 202 Y N 1.067 120.948 120.300 -0.698 0.000 2.274 202 Y HA -0.052 4.498 4.550 0.000 0.000 0.290 202 Y C 2.846 178.542 175.900 -0.339 0.000 1.145 202 Y CA 0.952 58.700 58.100 -0.586 0.000 1.203 202 Y CB -0.303 37.820 38.460 -0.562 0.000 0.984 202 Y HN 0.152 nan 8.280 nan 0.000 0.533 203 L N -1.359 119.758 121.223 -0.176 0.000 2.549 203 L HA -0.097 4.243 4.340 -0.000 0.000 0.229 203 L C 2.031 178.671 176.870 -0.384 0.000 1.158 203 L CA 1.041 55.756 54.840 -0.209 0.000 0.842 203 L CB -0.522 41.456 42.059 -0.135 0.000 0.952 203 L HN 0.238 nan 8.230 nan 0.000 0.452 204 G N -0.689 107.895 108.800 -0.360 0.000 3.393 204 G HA2 0.082 4.042 3.960 -0.000 0.000 0.255 204 G HA3 0.082 4.042 3.960 -0.000 0.000 0.255 204 G C 0.391 175.126 174.900 -0.274 0.000 1.097 204 G CA -0.352 44.544 45.100 -0.341 0.000 0.780 204 G HN 0.133 nan 8.290 nan 0.000 0.540 205 K N 0.908 121.120 120.400 -0.313 0.000 2.234 205 K HA 0.236 4.556 4.320 -0.000 0.000 0.282 205 K C 0.749 177.219 176.600 -0.216 0.000 1.039 205 K CA -0.451 55.666 56.287 -0.283 0.000 0.928 205 K CB 2.247 34.495 32.500 -0.420 0.000 1.039 205 K HN 0.021 nan 8.250 nan 0.000 0.470 206 E N 2.655 122.756 120.200 -0.164 0.000 2.110 206 E HA -0.297 4.053 4.350 -0.000 0.000 0.225 206 E C 1.503 178.023 176.600 -0.133 0.000 1.063 206 E CA 2.204 58.531 56.400 -0.121 0.000 0.906 206 E CB -0.123 29.515 29.700 -0.103 0.000 0.795 206 E HN 0.582 nan 8.360 nan 0.000 0.479 207 M N -0.611 118.878 119.600 -0.186 0.000 2.202 207 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 207 M C 2.058 178.291 176.300 -0.112 0.000 1.063 207 M CA 1.006 56.203 55.300 -0.172 0.000 1.097 207 M CB -0.302 32.175 32.600 -0.205 0.000 1.382 207 M HN 0.166 nan 8.290 nan 0.000 0.413 208 V N -0.923 118.917 119.914 -0.123 0.000 2.379 208 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 208 V C 2.193 178.243 176.094 -0.074 0.000 1.044 208 V CA 1.622 63.868 62.300 -0.091 0.000 1.036 208 V CB -0.760 30.996 31.823 -0.112 0.000 0.664 208 V HN 0.485 nan 8.190 nan 0.000 0.453 209 Q N -0.068 119.671 119.800 -0.103 0.000 2.084 209 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 209 Q C 2.357 178.361 176.000 0.005 0.000 0.978 209 Q CA 1.466 57.235 55.803 -0.056 0.000 0.844 209 Q CB -0.322 28.366 28.738 -0.082 0.000 0.898 209 Q HN 0.599 nan 8.270 nan 0.000 0.426 210 N N 0.759 119.456 118.700 -0.006 0.000 2.272 210 N HA -0.170 4.570 4.740 -0.000 0.000 0.185 210 N C 1.697 177.212 175.510 0.008 0.000 1.014 210 N CA 0.782 53.847 53.050 0.025 0.000 0.870 210 N CB -0.041 38.467 38.487 0.036 0.000 0.975 210 N HN 0.260 nan 8.380 nan 0.000 0.433 211 L N 0.476 121.689 121.223 -0.016 0.000 2.021 211 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 211 L C 2.693 179.503 176.870 -0.100 0.000 1.074 211 L CA 1.518 56.329 54.840 -0.048 0.000 0.760 211 L CB -0.387 41.659 42.059 -0.021 0.000 0.889 211 L HN 0.282 nan 8.230 nan 0.000 0.433 212 M N -0.789 118.804 119.600 -0.012 0.000 2.117 212 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 212 M C 2.106 178.434 176.300 0.047 0.000 1.065 212 M CA 1.558 56.892 55.300 0.058 0.000 1.114 212 M CB 0.062 32.772 32.600 0.184 0.000 1.361 212 M HN 0.016 nan 8.290 nan 0.000 0.408 213 V N 0.803 120.746 119.914 0.047 0.000 2.307 213 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 213 V C 2.355 178.460 176.094 0.018 0.000 1.045 213 V CA 1.728 64.065 62.300 0.061 0.000 1.024 213 V CB -0.807 31.058 31.823 0.071 0.000 0.651 213 V HN 0.526 nan 8.190 nan 0.000 0.449 214 L N -0.454 120.764 121.223 -0.008 0.000 1.990 214 L HA -0.261 4.079 4.340 -0.000 0.000 0.213 214 L C 2.856 179.670 176.870 -0.093 0.000 1.072 214 L CA 2.015 56.867 54.840 0.019 0.000 0.755 214 L CB -0.644 41.398 42.059 -0.029 0.000 0.889 214 L HN 0.259 nan 8.230 nan 0.000 0.432 215 R N -0.753 119.478 120.500 -0.448 0.000 2.062 215 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 215 R C 2.017 177.918 176.300 -0.665 0.000 1.136 215 R CA 1.468 57.033 56.100 -0.892 0.000 0.948 215 R CB -0.340 29.004 30.300 -1.593 0.000 0.845 215 R HN 0.224 nan 8.270 nan 0.000 0.430 216 F N -0.684 119.195 119.950 -0.118 0.000 2.765 216 F HA 0.267 4.793 4.527 -0.000 0.000 0.302 216 F C 1.548 177.336 175.800 -0.021 0.000 1.111 216 F CA -0.063 57.899 58.000 -0.064 0.000 1.359 216 F CB 0.279 39.244 39.000 -0.057 0.000 1.097 216 F HN 0.018 nan 8.300 nan 0.000 0.577 217 A N -1.041 121.846 122.820 0.111 0.000 2.469 217 A HA 0.290 4.610 4.320 -0.000 0.000 0.245 217 A C 0.406 178.025 177.584 0.058 0.000 1.221 217 A CA -0.168 51.922 52.037 0.088 0.000 0.946 217 A CB -0.094 18.954 19.000 0.080 0.000 1.049 217 A HN 0.061 nan 8.150 nan 0.000 0.529 218 N N -0.396 118.336 118.700 0.053 0.000 2.284 218 N HA 0.317 5.057 4.740 -0.000 0.000 0.300 218 N C 0.310 175.822 175.510 0.004 0.000 1.047 218 N CA -0.423 52.638 53.050 0.017 0.000 0.821 218 N CB 1.880 40.385 38.487 0.029 0.000 1.337 218 N HN 0.284 nan 8.380 nan 0.000 0.482 219 R N 1.542 122.020 120.500 -0.037 0.000 2.173 219 R HA 0.162 4.502 4.340 -0.000 0.000 0.208 219 R C 1.869 178.132 176.300 -0.061 0.000 1.035 219 R CA 0.596 56.682 56.100 -0.022 0.000 1.004 219 R CB -0.023 30.264 30.300 -0.022 0.000 0.917 219 R HN 0.704 nan 8.270 nan 0.000 0.462 220 I N -2.158 118.293 120.570 -0.197 0.000 2.916 220 I HA -0.046 4.124 4.170 -0.000 0.000 0.267 220 I C 0.315 176.283 176.117 -0.248 0.000 1.263 220 I CA 1.069 62.181 61.300 -0.313 0.000 1.471 220 I CB -0.031 37.646 38.000 -0.539 0.000 1.089 220 I HN -0.013 nan 8.210 nan 0.000 0.468 221 F N 1.343 121.347 119.950 0.090 0.000 2.706 221 F HA 0.470 4.997 4.527 0.000 0.000 0.313 221 F C 2.232 178.152 175.800 0.200 0.000 1.096 221 F CA -0.357 57.762 58.000 0.199 0.000 1.219 221 F CB -0.358 38.752 39.000 0.184 0.000 1.051 221 F HN -0.011 nan 8.300 nan 0.000 0.568 222 G N 2.594 111.537 108.800 0.239 0.000 2.616 222 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 222 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 222 G C -0.458 174.563 174.900 0.201 0.000 1.284 222 G CA 0.747 45.948 45.100 0.169 0.000 0.823 222 G HN 0.157 nan 8.290 nan 0.000 0.569 223 P HA -0.007 nan 4.420 nan 0.000 0.234 223 P C 1.294 178.671 177.300 0.128 0.000 1.162 223 P CA 0.903 64.069 63.100 0.109 0.000 0.759 223 P CB -0.058 31.680 31.700 0.064 0.000 0.813 224 I N -3.143 117.552 120.570 0.208 0.000 3.265 224 I HA 0.075 4.245 4.170 -0.000 0.000 0.282 224 I C 1.516 177.795 176.117 0.269 0.000 1.207 224 I CA 0.009 61.433 61.300 0.206 0.000 1.449 224 I CB -0.423 37.685 38.000 0.180 0.000 1.121 224 I HN -0.063 nan 8.210 nan 0.000 0.442 225 W N 7.261 128.621 121.300 0.101 0.000 1.282 225 W HA 0.049 4.709 4.660 -0.000 0.000 0.527 225 W C -0.028 176.340 176.519 -0.252 0.000 0.616 225 W CA 0.842 58.200 57.345 0.021 0.000 2.357 225 W CB -0.530 28.958 29.460 0.047 0.000 1.453 225 W HN 0.427 nan 8.180 nan 0.000 0.188 226 N N 0.257 118.829 118.700 -0.212 0.000 3.127 226 N HA 0.057 4.797 4.740 -0.000 0.000 0.239 226 N C 0.789 176.165 175.510 -0.223 0.000 1.407 226 N CA -0.741 52.072 53.050 -0.394 0.000 0.891 226 N CB 0.265 38.630 38.487 -0.202 0.000 1.447 226 N HN 0.220 nan 8.380 nan 0.000 0.507 227 R N -0.425 119.954 120.500 -0.201 0.000 2.226 227 R HA -0.129 4.211 4.340 -0.000 0.000 0.246 227 R C 0.018 176.349 176.300 0.050 0.000 1.161 227 R CA 1.640 57.727 56.100 -0.021 0.000 0.997 227 R CB -0.523 29.776 30.300 -0.003 0.000 0.870 227 R HN 0.443 nan 8.270 nan 0.000 0.465 228 D N 0.230 120.638 120.400 0.014 0.000 2.269 228 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 228 D C 0.967 177.335 176.300 0.114 0.000 0.963 228 D CA 0.794 54.809 54.000 0.026 0.000 0.864 228 D CB 0.035 40.836 40.800 0.001 0.000 0.936 228 D HN 0.440 nan 8.370 nan 0.000 0.505 229 N N -0.332 118.476 118.700 0.180 0.000 2.503 229 N HA 0.105 4.845 4.740 -0.000 0.000 0.210 229 N C 0.631 176.347 175.510 0.343 0.000 1.077 229 N CA -0.045 53.179 53.050 0.289 0.000 0.855 229 N CB 1.624 40.242 38.487 0.219 0.000 1.323 229 N HN 0.120 nan 8.380 nan 0.000 0.452 230 I N 1.448 122.091 120.570 0.122 0.000 2.395 230 I HA 0.159 4.329 4.170 -0.000 0.000 0.289 230 I C 1.186 177.054 176.117 -0.414 0.000 1.023 230 I CA -0.286 60.893 61.300 -0.202 0.000 1.350 230 I CB 1.646 39.488 38.000 -0.264 0.000 1.409 230 I HN 0.025 nan 8.210 nan 0.000 0.507 231 A N 5.719 128.123 122.820 -0.694 0.000 2.044 231 A HA 0.202 4.522 4.320 -0.000 0.000 0.213 231 A C 0.652 178.042 177.584 -0.323 0.000 1.169 231 A CA 0.679 52.286 52.037 -0.717 0.000 0.724 231 A CB -0.067 18.522 19.000 -0.684 0.000 0.840 231 A HN 0.902 nan 8.150 nan 0.000 0.463 232 C N -3.909 115.189 119.300 -0.336 0.000 3.197 232 C HA 0.609 5.069 4.460 -0.000 0.000 0.343 232 C C -1.360 173.371 174.990 -0.431 0.000 1.291 232 C CA -0.927 57.899 59.018 -0.319 0.000 1.191 232 C CB 0.668 28.315 27.740 -0.156 0.000 1.444 232 C HN 0.312 nan 8.230 nan 0.000 0.468 233 V N 1.851 121.433 119.914 -0.553 0.000 2.588 233 V HA 0.661 4.781 4.120 -0.000 0.000 0.304 233 V C -0.391 175.473 176.094 -0.384 0.000 1.042 233 V CA -0.308 61.662 62.300 -0.551 0.000 0.877 233 V CB 1.751 33.075 31.823 -0.830 0.000 0.996 233 V HN 0.816 nan 8.190 nan 0.000 0.425 234 I N 5.545 125.929 120.570 -0.309 0.000 2.418 234 I HA 0.476 4.646 4.170 -0.000 0.000 0.287 234 I C -0.862 175.142 176.117 -0.188 0.000 1.008 234 I CA -0.442 60.699 61.300 -0.267 0.000 1.104 234 I CB 1.793 39.570 38.000 -0.371 0.000 1.264 234 I HN 0.320 nan 8.210 nan 0.000 0.438 235 L N 6.209 127.352 121.223 -0.133 0.000 2.294 235 L HA 0.533 4.873 4.340 -0.000 0.000 0.283 235 L C -0.347 176.467 176.870 -0.095 0.000 1.015 235 L CA -0.338 54.448 54.840 -0.090 0.000 0.831 235 L CB 1.426 43.454 42.059 -0.053 0.000 1.217 235 L HN 0.549 nan 8.230 nan 0.000 0.420 236 T N 2.370 116.877 114.554 -0.079 0.000 2.855 236 T HA 0.583 4.933 4.350 -0.000 0.000 0.281 236 T C -0.998 173.714 174.700 0.021 0.000 1.007 236 T CA -0.382 61.679 62.100 -0.064 0.000 1.009 236 T CB 1.937 70.745 68.868 -0.100 0.000 0.983 236 T HN 0.299 nan 8.240 nan 0.000 0.455 237 F N 2.562 122.419 119.950 -0.154 0.000 2.730 237 F HA 0.525 5.052 4.527 -0.000 0.000 0.335 237 F C -0.975 174.734 175.800 -0.152 0.000 1.212 237 F CA -0.708 57.205 58.000 -0.145 0.000 1.016 237 F CB 1.018 39.908 39.000 -0.184 0.000 1.290 237 F HN 0.363 nan 8.300 nan 0.000 0.495 238 K N 4.987 125.126 120.400 -0.435 0.000 2.378 238 K HA 0.509 4.829 4.320 -0.000 0.000 0.252 238 K C -1.306 175.009 176.600 -0.474 0.000 0.931 238 K CA -0.910 55.181 56.287 -0.326 0.000 0.794 238 K CB 2.718 35.095 32.500 -0.205 0.000 1.181 238 K HN 0.537 nan 8.250 nan 0.000 0.425 239 E N 3.107 123.045 120.200 -0.435 0.000 2.224 239 E HA 0.153 4.503 4.350 -0.000 0.000 0.265 239 E C -1.984 174.271 176.600 -0.575 0.000 0.878 239 E CA -2.012 54.016 56.400 -0.620 0.000 0.759 239 E CB 2.114 31.262 29.700 -0.920 0.000 1.164 239 E HN 0.303 nan 8.360 nan 0.000 0.414 240 P HA -0.104 nan 4.420 nan 0.000 0.222 240 P C 0.220 177.412 177.300 -0.181 0.000 1.153 240 P CA 0.825 63.809 63.100 -0.194 0.000 0.798 240 P CB -0.033 31.668 31.700 0.001 0.000 0.796 241 F N -0.314 119.576 119.950 -0.101 0.000 2.377 241 F HA 0.759 5.286 4.527 -0.000 0.000 0.328 241 F C 0.922 176.569 175.800 -0.255 0.000 1.094 241 F CA -1.267 56.694 58.000 -0.065 0.000 1.093 241 F CB -0.112 38.902 39.000 0.023 0.000 1.214 241 F HN -0.167 nan 8.300 nan 0.000 0.518 242 G N -0.153 108.610 108.800 -0.062 0.000 2.531 242 G HA2 0.330 4.290 3.960 -0.000 0.000 0.253 242 G HA3 0.330 4.290 3.960 -0.000 0.000 0.253 242 G C -0.654 174.291 174.900 0.075 0.000 1.439 242 G CA -0.522 44.371 45.100 -0.344 0.000 1.056 242 G HN 0.848 nan 8.290 nan 0.000 0.555 243 T N 1.206 115.847 114.554 0.146 0.000 3.185 243 T HA 0.165 4.515 4.350 -0.000 0.000 0.287 243 T C 0.147 175.010 174.700 0.272 0.000 1.051 243 T CA -0.346 61.879 62.100 0.208 0.000 1.051 243 T CB -0.526 68.499 68.868 0.263 0.000 1.034 243 T HN 0.285 nan 8.240 nan 0.000 0.685 244 E N 3.671 124.016 120.200 0.242 0.000 2.126 244 E HA 0.041 4.391 4.350 -0.000 0.000 0.261 244 E C 1.633 178.330 176.600 0.162 0.000 1.180 244 E CA 0.903 57.414 56.400 0.185 0.000 1.055 244 E CB -0.886 28.874 29.700 0.100 0.000 1.088 244 E HN 1.037 nan 8.360 nan 0.000 0.444 245 G N 3.862 112.765 108.800 0.172 0.000 2.855 245 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.231 245 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.231 245 G C 0.796 175.787 174.900 0.152 0.000 1.242 245 G CA 0.420 45.604 45.100 0.140 0.000 0.789 245 G HN 0.540 nan 8.290 nan 0.000 0.517 246 R N 1.966 122.574 120.500 0.180 0.000 3.907 246 R HA 0.412 4.752 4.340 -0.000 0.000 0.241 246 R C 2.074 178.539 176.300 0.275 0.000 1.784 246 R CA 0.531 56.759 56.100 0.213 0.000 1.509 246 R CB -0.359 30.081 30.300 0.233 0.000 1.275 246 R HN 0.430 nan 8.270 nan 0.000 0.642 247 G N 1.267 110.217 108.800 0.249 0.000 2.450 247 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 247 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 247 G C 1.445 176.520 174.900 0.292 0.000 1.130 247 G CA 0.745 46.035 45.100 0.316 0.000 0.760 247 G HN 0.505 nan 8.290 nan 0.000 0.557 248 G N 0.009 108.927 108.800 0.196 0.000 2.513 248 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 248 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 248 G C 1.656 176.693 174.900 0.228 0.000 1.160 248 G CA 1.290 46.486 45.100 0.160 0.000 0.767 248 G HN 0.412 nan 8.290 nan 0.000 0.571 249 Y N 0.683 121.078 120.300 0.158 0.000 2.163 249 Y HA -0.011 4.538 4.550 -0.000 0.000 0.288 249 Y C 2.313 178.339 175.900 0.210 0.000 1.136 249 Y CA 0.935 59.134 58.100 0.165 0.000 1.147 249 Y CB -0.883 37.709 38.460 0.220 0.000 0.987 249 Y HN 0.198 nan 8.280 nan 0.000 0.509 250 F N 1.327 121.296 119.950 0.032 0.000 2.161 250 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 250 F C 2.125 177.932 175.800 0.011 0.000 1.089 250 F CA 2.183 60.191 58.000 0.013 0.000 1.282 250 F CB -0.832 38.262 39.000 0.155 0.000 1.010 250 F HN 0.178 nan 8.300 nan 0.000 0.485 251 D N 0.065 120.476 120.400 0.018 0.000 2.239 251 D HA -0.231 4.409 4.640 -0.000 0.000 0.202 251 D C 1.893 178.015 176.300 -0.296 0.000 0.993 251 D CA 1.707 55.666 54.000 -0.067 0.000 0.874 251 D CB -0.148 40.695 40.800 0.072 0.000 0.922 251 D HN 0.580 nan 8.370 nan 0.000 0.464 252 E N -1.530 118.381 120.200 -0.481 0.000 2.208 252 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 252 E C 1.322 177.457 176.600 -0.775 0.000 0.988 252 E CA 0.602 56.604 56.400 -0.664 0.000 0.828 252 E CB 0.009 29.177 29.700 -0.888 0.000 0.763 252 E HN 0.444 nan 8.360 nan 0.000 0.478 253 F N -0.001 119.727 119.950 -0.371 0.000 2.399 253 F HA 0.312 4.839 4.527 0.000 0.000 0.282 253 F C 1.320 176.852 175.800 -0.447 0.000 1.027 253 F CA 0.652 58.431 58.000 -0.368 0.000 1.333 253 F CB -0.299 38.477 39.000 -0.373 0.000 1.132 253 F HN -0.027 nan 8.300 nan 0.000 0.590 254 G N 0.838 109.270 108.800 -0.612 0.000 2.721 254 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.686 254 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.686 254 G C 0.359 175.069 174.900 -0.317 0.000 1.236 254 G CA -0.303 44.462 45.100 -0.559 0.000 0.786 254 G HN 0.263 nan 8.290 nan 0.000 0.616 255 I N 1.610 122.174 120.570 -0.010 0.000 2.229 255 I HA -0.225 3.945 4.170 -0.000 0.000 0.250 255 I C 2.689 178.699 176.117 -0.179 0.000 1.096 255 I CA 2.036 63.382 61.300 0.078 0.000 1.358 255 I CB -0.239 37.807 38.000 0.078 0.000 1.047 255 I HN 0.612 nan 8.210 nan 0.000 0.422 256 I N 0.336 120.758 120.570 -0.247 0.000 2.058 256 I HA -0.335 3.835 4.170 -0.000 0.000 0.235 256 I C 2.626 178.441 176.117 -0.503 0.000 1.053 256 I CA 1.781 62.838 61.300 -0.405 0.000 1.313 256 I CB -1.507 36.263 38.000 -0.384 0.000 1.039 256 I HN 0.286 nan 8.210 nan 0.000 0.396 257 R N 0.405 120.667 120.500 -0.397 0.000 2.103 257 R HA -0.243 4.097 4.340 -0.000 0.000 0.242 257 R C 2.018 178.025 176.300 -0.489 0.000 1.142 257 R CA 2.029 57.878 56.100 -0.418 0.000 0.960 257 R CB -0.520 29.676 30.300 -0.173 0.000 0.858 257 R HN 0.422 nan 8.270 nan 0.000 0.439 258 D N -0.387 119.802 120.400 -0.351 0.000 2.117 258 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 258 D C 1.495 177.515 176.300 -0.467 0.000 0.987 258 D CA 1.135 54.948 54.000 -0.311 0.000 0.829 258 D CB 0.377 41.184 40.800 0.011 0.000 0.961 258 D HN 0.026 nan 8.370 nan 0.000 0.460 259 V N -0.700 118.895 119.914 -0.533 0.000 3.159 259 V HA 0.123 4.243 4.120 -0.000 0.000 0.234 259 V C 2.033 177.691 176.094 -0.727 0.000 1.313 259 V CA 0.436 62.294 62.300 -0.736 0.000 1.271 259 V CB -0.078 31.256 31.823 -0.815 0.000 1.053 259 V HN 0.120 nan 8.190 nan 0.000 0.476 260 M N 0.403 119.635 119.600 -0.613 0.000 2.059 260 M HA -0.255 4.225 4.480 -0.000 0.000 0.259 260 M C 2.317 178.242 176.300 -0.625 0.000 1.072 260 M CA 2.377 57.340 55.300 -0.562 0.000 1.117 260 M CB -0.252 32.023 32.600 -0.543 0.000 1.320 260 M HN 0.391 nan 8.290 nan 0.000 0.408 261 Q N 0.309 119.575 119.800 -0.890 0.000 2.248 261 Q HA -0.230 4.110 4.340 -0.000 0.000 0.208 261 Q C 0.965 176.544 176.000 -0.702 0.000 0.984 261 Q CA 2.191 57.457 55.803 -0.896 0.000 0.875 261 Q CB -0.194 27.891 28.738 -1.088 0.000 0.910 261 Q HN 0.877 nan 8.270 nan 0.000 0.433 262 N N -2.174 116.067 118.700 -0.766 0.000 2.648 262 N HA -0.050 4.690 4.740 -0.000 0.000 0.234 262 N C 1.571 176.869 175.510 -0.354 0.000 1.034 262 N CA 0.106 52.816 53.050 -0.565 0.000 1.205 262 N CB -0.612 37.471 38.487 -0.673 0.000 1.573 262 N HN 0.035 nan 8.380 nan 0.000 0.615 263 H N 0.764 119.605 119.070 -0.382 0.000 2.252 263 H HA -0.084 4.472 4.556 0.000 0.000 0.292 263 H C 2.224 177.368 175.328 -0.306 0.000 1.082 263 H CA 1.231 57.032 56.048 -0.410 0.000 1.229 263 H CB -0.806 28.480 29.762 -0.793 0.000 1.353 263 H HN 0.151 nan 8.280 nan 0.000 0.488 264 L N 0.102 121.193 121.223 -0.221 0.000 1.990 264 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 264 L C 2.760 179.563 176.870 -0.111 0.000 1.072 264 L CA 1.124 55.870 54.840 -0.158 0.000 0.755 264 L CB -1.140 40.804 42.059 -0.191 0.000 0.889 264 L HN 0.158 nan 8.230 nan 0.000 0.432 265 L N -0.970 120.180 121.223 -0.121 0.000 2.013 265 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 265 L C 2.615 179.440 176.870 -0.075 0.000 1.073 265 L CA 1.766 56.559 54.840 -0.079 0.000 0.753 265 L CB -0.746 41.290 42.059 -0.038 0.000 0.890 265 L HN 0.364 nan 8.230 nan 0.000 0.432 266 Q N -1.025 118.743 119.800 -0.054 0.000 2.061 266 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 266 Q C 2.248 178.236 176.000 -0.021 0.000 0.984 266 Q CA 2.254 58.043 55.803 -0.024 0.000 0.846 266 Q CB -0.418 28.323 28.738 0.006 0.000 0.902 266 Q HN 0.597 nan 8.270 nan 0.000 0.421 267 M N 0.030 119.617 119.600 -0.021 0.000 2.117 267 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 267 M C 2.352 178.639 176.300 -0.021 0.000 1.065 267 M CA 1.061 56.357 55.300 -0.007 0.000 1.114 267 M CB -0.452 32.148 32.600 -0.001 0.000 1.361 267 M HN 0.188 nan 8.290 nan 0.000 0.408 268 L N 0.048 121.231 121.223 -0.067 0.000 2.012 268 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 268 L C 2.493 179.257 176.870 -0.177 0.000 1.073 268 L CA 1.647 56.398 54.840 -0.149 0.000 0.748 268 L CB -0.290 41.619 42.059 -0.250 0.000 0.891 268 L HN 0.364 nan 8.230 nan 0.000 0.431 269 C N -0.067 119.159 119.300 -0.124 0.000 2.413 269 C HA -0.206 4.254 4.460 -0.000 0.000 0.277 269 C C 2.648 177.642 174.990 0.007 0.000 1.228 269 C CA 1.080 60.053 59.018 -0.074 0.000 1.731 269 C CB -1.140 26.575 27.740 -0.042 0.000 2.042 269 C HN 0.575 nan 8.230 nan 0.000 0.468 270 L N 0.370 121.611 121.223 0.030 0.000 2.127 270 L HA -0.134 4.206 4.340 -0.000 0.000 0.211 270 L C 2.449 179.385 176.870 0.110 0.000 1.089 270 L CA 1.143 56.028 54.840 0.076 0.000 0.757 270 L CB -0.557 41.535 42.059 0.055 0.000 0.899 270 L HN 0.233 nan 8.230 nan 0.000 0.434 271 V N -0.626 119.357 119.914 0.115 0.000 2.591 271 V HA -0.117 4.003 4.120 -0.000 0.000 0.249 271 V C 2.272 178.614 176.094 0.413 0.000 1.053 271 V CA 1.671 64.126 62.300 0.257 0.000 1.068 271 V CB -0.365 31.577 31.823 0.199 0.000 0.689 271 V HN 0.471 nan 8.190 nan 0.000 0.462 272 A N -0.135 122.793 122.820 0.179 0.000 2.288 272 A HA 0.367 4.687 4.320 -0.000 0.000 0.216 272 A C 1.242 179.105 177.584 0.465 0.000 1.199 272 A CA -0.113 52.089 52.037 0.275 0.000 0.891 272 A CB -0.181 18.507 19.000 -0.521 0.000 0.923 272 A HN 0.574 nan 8.150 nan 0.000 0.500 273 M N -0.332 119.443 119.600 0.291 0.000 2.252 273 M HA 0.374 4.854 4.480 -0.000 0.000 0.321 273 M C -0.043 176.471 176.300 0.356 0.000 1.070 273 M CA 0.199 55.657 55.300 0.263 0.000 1.143 273 M CB 0.060 32.771 32.600 0.186 0.000 1.498 273 M HN 0.048 nan 8.290 nan 0.000 0.445 274 E N 1.723 122.064 120.200 0.234 0.000 2.345 274 E HA 0.241 4.591 4.350 -0.000 0.000 0.259 274 E C -0.951 175.658 176.600 0.016 0.000 1.117 274 E CA -0.334 56.175 56.400 0.183 0.000 0.913 274 E CB 0.947 30.707 29.700 0.100 0.000 1.057 274 E HN 0.611 nan 8.360 nan 0.000 0.432 275 K N 3.187 123.504 120.400 -0.140 0.000 2.436 275 K HA 0.088 4.408 4.320 -0.000 0.000 0.282 275 K C -2.056 174.310 176.600 -0.390 0.000 1.044 275 K CA -1.214 54.671 56.287 -0.671 0.000 1.028 275 K CB 0.258 32.469 32.500 -0.482 0.000 0.919 275 K HN 0.321 nan 8.250 nan 0.000 0.474 276 P HA 0.036 nan 4.420 nan 0.000 0.274 276 P C -0.265 176.925 177.300 -0.183 0.000 1.237 276 P CA -0.208 62.758 63.100 -0.224 0.000 0.793 276 P CB 1.325 32.908 31.700 -0.195 0.000 0.977 277 A N 1.586 124.336 122.820 -0.116 0.000 2.067 277 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 277 A C 1.046 178.580 177.584 -0.085 0.000 1.158 277 A CA 1.725 53.709 52.037 -0.089 0.000 0.661 277 A CB -0.746 18.217 19.000 -0.062 0.000 0.801 277 A HN 0.820 nan 8.150 nan 0.000 0.452 278 S N -4.165 111.480 115.700 -0.091 0.000 0.000 278 S HA 0.296 4.766 4.470 -0.000 0.000 0.000 278 S C 0.188 174.744 174.600 -0.072 0.000 0.000 278 S CA 0.247 58.403 58.200 -0.073 0.000 0.000 278 S CB 0.243 63.411 63.200 -0.053 0.000 0.000 278 S HN 0.506 nan 8.310 nan 0.000 0.000 279 T N -0.451 114.072 114.554 -0.052 0.000 3.219 279 T HA 0.243 4.593 4.350 -0.000 0.000 0.249 279 T C 0.196 174.867 174.700 -0.048 0.000 1.099 279 T CA -0.231 61.844 62.100 -0.041 0.000 0.988 279 T CB -0.992 67.863 68.868 -0.021 0.000 0.999 279 T HN 0.491 nan 8.240 nan 0.000 0.550 280 N N 2.414 121.082 118.700 -0.052 0.000 2.454 280 N HA 0.182 4.922 4.740 -0.000 0.000 0.260 280 N C 1.219 176.689 175.510 -0.065 0.000 1.218 280 N CA -0.059 52.957 53.050 -0.057 0.000 0.904 280 N CB 1.059 39.514 38.487 -0.052 0.000 1.065 280 N HN 0.119 nan 8.380 nan 0.000 0.462 281 S N 1.623 117.275 115.700 -0.080 0.000 2.390 281 S HA -0.216 4.254 4.470 -0.000 0.000 0.234 281 S C 1.017 175.572 174.600 -0.076 0.000 1.063 281 S CA 1.467 59.612 58.200 -0.092 0.000 1.108 281 S CB -0.097 63.030 63.200 -0.122 0.000 0.975 281 S HN 0.611 nan 8.310 nan 0.000 0.442 282 D N 0.666 121.022 120.400 -0.073 0.000 2.149 282 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 282 D C 1.549 177.818 176.300 -0.052 0.000 0.972 282 D CA 0.781 54.743 54.000 -0.063 0.000 0.835 282 D CB -0.459 40.304 40.800 -0.062 0.000 0.966 282 D HN 0.266 nan 8.370 nan 0.000 0.476 283 D N 0.186 120.554 120.400 -0.053 0.000 2.178 283 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 283 D C 2.240 178.508 176.300 -0.052 0.000 0.980 283 D CA 0.364 54.333 54.000 -0.052 0.000 0.842 283 D CB -0.003 40.762 40.800 -0.058 0.000 0.948 283 D HN 0.076 nan 8.370 nan 0.000 0.472 284 V N 0.672 120.558 119.914 -0.048 0.000 2.239 284 V HA -0.193 3.927 4.120 -0.000 0.000 0.242 284 V C 2.409 178.493 176.094 -0.017 0.000 1.038 284 V CA 1.462 63.743 62.300 -0.032 0.000 1.002 284 V CB -0.407 31.406 31.823 -0.017 0.000 0.641 284 V HN 0.059 nan 8.190 nan 0.000 0.449 285 R N 0.269 120.757 120.500 -0.021 0.000 2.133 285 R HA -0.209 4.131 4.340 -0.000 0.000 0.247 285 R C 2.024 178.313 176.300 -0.019 0.000 1.151 285 R CA 1.915 58.005 56.100 -0.018 0.000 0.971 285 R CB -0.535 29.746 30.300 -0.032 0.000 0.866 285 R HN 0.552 nan 8.270 nan 0.000 0.447 286 D N 0.313 120.698 120.400 -0.025 0.000 2.104 286 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 286 D C 1.843 178.136 176.300 -0.012 0.000 0.994 286 D CA 1.062 55.049 54.000 -0.022 0.000 0.830 286 D CB -0.143 40.641 40.800 -0.027 0.000 0.959 286 D HN 0.144 nan 8.370 nan 0.000 0.452 287 E N 0.841 121.034 120.200 -0.012 0.000 2.153 287 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 287 E C 1.995 178.609 176.600 0.023 0.000 0.988 287 E CA 0.639 57.042 56.400 0.005 0.000 0.811 287 E CB -0.087 29.609 29.700 -0.007 0.000 0.746 287 E HN 0.357 nan 8.360 nan 0.000 0.466 288 K N 0.352 120.761 120.400 0.016 0.000 1.973 288 K HA -0.094 4.226 4.320 -0.000 0.000 0.212 288 K C 2.186 178.783 176.600 -0.005 0.000 1.047 288 K CA 1.282 57.576 56.287 0.012 0.000 0.937 288 K CB -0.496 32.009 32.500 0.008 0.000 0.721 288 K HN 0.015 nan 8.250 nan 0.000 0.440 289 V N 1.995 121.903 119.914 -0.011 0.000 2.568 289 V HA -0.267 3.853 4.120 -0.000 0.000 0.253 289 V C 2.168 178.255 176.094 -0.012 0.000 1.072 289 V CA 1.852 64.141 62.300 -0.017 0.000 1.084 289 V CB -0.338 31.474 31.823 -0.019 0.000 0.676 289 V HN 0.314 nan 8.190 nan 0.000 0.469 290 K N -0.526 119.874 120.400 -0.000 0.000 2.103 290 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 290 K C 1.923 178.530 176.600 0.013 0.000 1.048 290 K CA 2.058 58.351 56.287 0.010 0.000 0.930 290 K CB -0.172 32.340 32.500 0.021 0.000 0.716 290 K HN 0.507 nan 8.250 nan 0.000 0.444 291 V N 1.779 121.698 119.914 0.008 0.000 2.237 291 V HA -0.270 3.850 4.120 -0.000 0.000 0.245 291 V C 2.353 178.413 176.094 -0.056 0.000 1.046 291 V CA 1.734 64.028 62.300 -0.011 0.000 1.007 291 V CB -0.508 31.290 31.823 -0.041 0.000 0.638 291 V HN 0.312 nan 8.190 nan 0.000 0.445 292 L N -0.296 120.886 121.223 -0.069 0.000 2.081 292 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 292 L C 2.537 179.369 176.870 -0.063 0.000 1.080 292 L CA 1.751 56.540 54.840 -0.085 0.000 0.754 292 L CB -0.782 41.235 42.059 -0.069 0.000 0.893 292 L HN 0.313 nan 8.230 nan 0.000 0.433 293 K N -0.685 119.695 120.400 -0.034 0.000 2.360 293 K HA -0.120 4.200 4.320 -0.000 0.000 0.201 293 K C 1.711 178.301 176.600 -0.016 0.000 1.046 293 K CA 1.011 57.286 56.287 -0.021 0.000 0.945 293 K CB -0.226 32.270 32.500 -0.007 0.000 0.750 293 K HN 0.429 nan 8.250 nan 0.000 0.464 294 C N 0.605 119.895 119.300 -0.016 0.000 2.791 294 C HA 0.291 4.751 4.460 -0.000 0.000 0.270 294 C C 0.802 175.786 174.990 -0.011 0.000 1.257 294 C CA -0.687 58.333 59.018 0.003 0.000 1.699 294 C CB -0.646 27.115 27.740 0.035 0.000 1.904 294 C HN 0.226 nan 8.230 nan 0.000 0.603 295 I N 2.507 123.044 120.570 -0.054 0.000 2.325 295 I HA 0.169 4.339 4.170 -0.000 0.000 0.291 295 I C 0.511 176.580 176.117 -0.080 0.000 1.019 295 I CA 0.349 61.600 61.300 -0.081 0.000 1.302 295 I CB 0.964 38.869 38.000 -0.158 0.000 1.401 295 I HN 0.231 nan 8.210 nan 0.000 0.485 296 S N 4.759 120.427 115.700 -0.053 0.000 2.592 296 S HA 0.240 4.710 4.470 -0.000 0.000 0.271 296 S C -0.079 174.455 174.600 -0.110 0.000 1.326 296 S CA -0.992 57.175 58.200 -0.056 0.000 1.024 296 S CB 0.650 63.841 63.200 -0.016 0.000 0.921 296 S HN 0.517 nan 8.310 nan 0.000 0.527 297 E N 0.764 120.904 120.200 -0.099 0.000 2.452 297 E HA 0.086 4.436 4.350 -0.000 0.000 0.261 297 E C -0.401 176.115 176.600 -0.139 0.000 0.987 297 E CA -0.263 56.061 56.400 -0.126 0.000 0.926 297 E CB 0.265 29.922 29.700 -0.071 0.000 0.934 297 E HN 0.398 nan 8.360 nan 0.000 0.452 298 V N 4.245 124.044 119.914 -0.192 0.000 2.644 298 V HA -0.128 3.992 4.120 -0.000 0.000 0.305 298 V C 0.498 176.536 176.094 -0.092 0.000 1.053 298 V CA 0.538 62.740 62.300 -0.163 0.000 1.186 298 V CB 0.393 32.124 31.823 -0.152 0.000 0.895 298 V HN 0.576 nan 8.190 nan 0.000 0.490 299 Q N 3.161 122.902 119.800 -0.100 0.000 2.256 299 Q HA 0.445 4.785 4.340 -0.000 0.000 0.254 299 Q C 1.059 177.031 176.000 -0.046 0.000 0.916 299 Q CA 0.115 55.878 55.803 -0.065 0.000 0.932 299 Q CB 1.622 30.315 28.738 -0.075 0.000 1.207 299 Q HN 0.831 nan 8.270 nan 0.000 0.426 300 A N 3.178 125.985 122.820 -0.023 0.000 2.131 300 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 300 A C 1.585 179.160 177.584 -0.015 0.000 1.158 300 A CA 1.776 53.805 52.037 -0.013 0.000 0.665 300 A CB -0.209 18.788 19.000 -0.005 0.000 0.795 300 A HN 0.736 nan 8.150 nan 0.000 0.460 301 N N 0.373 119.060 118.700 -0.021 0.000 2.457 301 N HA -0.062 4.678 4.740 -0.000 0.000 0.180 301 N C 0.222 175.717 175.510 -0.025 0.000 1.050 301 N CA 0.900 53.940 53.050 -0.017 0.000 0.906 301 N CB -0.100 38.379 38.487 -0.014 0.000 0.968 301 N HN 0.372 nan 8.380 nan 0.000 0.445 302 N N -0.083 118.588 118.700 -0.048 0.000 2.380 302 N HA 0.151 4.891 4.740 -0.000 0.000 0.255 302 N C -1.319 174.162 175.510 -0.048 0.000 1.158 302 N CA 0.021 53.034 53.050 -0.062 0.000 0.878 302 N CB 1.160 39.569 38.487 -0.130 0.000 1.138 302 N HN -0.077 nan 8.380 nan 0.000 0.509 303 V N 0.485 120.384 119.914 -0.024 0.000 2.638 303 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 303 V C -0.279 175.820 176.094 0.008 0.000 1.052 303 V CA -0.816 61.475 62.300 -0.016 0.000 0.885 303 V CB 2.796 34.613 31.823 -0.010 0.000 0.999 303 V HN -0.223 nan 8.190 nan 0.000 0.424 304 V N 6.036 125.963 119.914 0.022 0.000 2.483 304 V HA 0.532 4.652 4.120 -0.000 0.000 0.297 304 V C -0.454 175.714 176.094 0.123 0.000 1.027 304 V CA -0.360 61.987 62.300 0.080 0.000 0.855 304 V CB 1.763 33.659 31.823 0.122 0.000 0.995 304 V HN 0.663 nan 8.190 nan 0.000 0.424 305 L N 4.130 125.429 121.223 0.127 0.000 2.331 305 L HA 0.981 5.321 4.340 -0.000 0.000 0.275 305 L C 0.525 177.535 176.870 0.234 0.000 1.022 305 L CA -0.372 54.565 54.840 0.162 0.000 0.812 305 L CB 2.064 44.175 42.059 0.087 0.000 1.257 305 L HN 0.739 nan 8.230 nan 0.000 0.435 306 G N 1.020 110.023 108.800 0.338 0.000 2.696 306 G HA2 0.551 4.511 3.960 -0.000 0.000 0.295 306 G HA3 0.551 4.511 3.960 -0.000 0.000 0.295 306 G C -2.092 173.066 174.900 0.430 0.000 1.398 306 G CA -0.327 44.988 45.100 0.358 0.000 0.920 306 G HN 0.468 nan 8.290 nan 0.000 0.492 307 Q N 0.190 120.179 119.800 0.316 0.000 2.323 307 Q HA 0.488 4.828 4.340 -0.000 0.000 0.271 307 Q C -1.354 174.518 176.000 -0.214 0.000 1.048 307 Q CA -1.022 54.850 55.803 0.115 0.000 0.792 307 Q CB 2.095 30.873 28.738 0.068 0.000 1.280 307 Q HN 0.748 nan 8.270 nan 0.000 0.441 308 Y N 1.755 121.678 120.300 -0.628 0.000 2.346 308 Y HA 0.573 5.123 4.550 0.000 0.000 0.330 308 Y C -1.184 174.532 175.900 -0.307 0.000 1.178 308 Y CA -0.614 56.942 58.100 -0.907 0.000 1.331 308 Y CB 0.680 38.614 38.460 -0.878 0.000 1.253 308 Y HN 0.239 nan 8.280 nan 0.000 0.529 309 V N 4.360 124.123 119.914 -0.252 0.000 2.667 309 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 309 V C 0.830 176.943 176.094 0.033 0.000 1.048 309 V CA -0.629 61.588 62.300 -0.138 0.000 0.928 309 V CB 1.545 33.320 31.823 -0.080 0.000 1.004 309 V HN 1.177 nan 8.190 nan 0.000 0.444 310 G N 1.519 110.335 108.800 0.027 0.000 2.544 310 G HA2 0.188 4.148 3.960 -0.000 0.000 0.242 310 G HA3 0.188 4.148 3.960 -0.000 0.000 0.242 310 G C -0.185 174.753 174.900 0.062 0.000 1.247 310 G CA -0.120 45.033 45.100 0.089 0.000 0.840 310 G HN 0.687 nan 8.290 nan 0.000 0.578 311 N N 1.538 120.259 118.700 0.035 0.000 2.444 311 N HA 0.315 5.055 4.740 -0.000 0.000 0.262 311 N C -0.930 174.569 175.510 -0.018 0.000 0.974 311 N CA -2.488 50.575 53.050 0.022 0.000 0.933 311 N CB 2.170 40.683 38.487 0.044 0.000 1.137 311 N HN 0.109 nan 8.380 nan 0.000 0.498 312 P HA -0.075 nan 4.420 nan 0.000 0.220 312 P C -0.229 177.064 177.300 -0.012 0.000 1.148 312 P CA 1.222 64.315 63.100 -0.010 0.000 0.803 312 P CB 0.474 32.172 31.700 -0.002 0.000 0.782 313 D N -0.521 119.876 120.400 -0.006 0.000 2.348 313 D HA 0.082 4.722 4.640 -0.000 0.000 0.211 313 D C 1.653 177.945 176.300 -0.013 0.000 0.998 313 D CA 0.387 54.384 54.000 -0.004 0.000 0.873 313 D CB -0.286 40.518 40.800 0.007 0.000 0.925 313 D HN 0.153 nan 8.370 nan 0.000 0.524 314 G N 0.580 109.361 108.800 -0.032 0.000 2.468 314 G HA2 0.350 4.310 3.960 -0.000 0.000 0.264 314 G HA3 0.350 4.310 3.960 -0.000 0.000 0.264 314 G C -0.151 174.716 174.900 -0.055 0.000 1.460 314 G CA -0.401 44.666 45.100 -0.055 0.000 1.060 314 G HN 0.264 nan 8.290 nan 0.000 0.543 315 E N -2.781 117.374 120.200 -0.074 0.000 2.375 315 E HA 0.501 4.851 4.350 -0.000 0.000 0.280 315 E C 0.205 176.766 176.600 -0.064 0.000 0.972 315 E CA -0.538 55.831 56.400 -0.052 0.000 0.782 315 E CB 0.956 30.641 29.700 -0.025 0.000 1.229 315 E HN 1.696 nan 8.360 nan 0.000 0.439 316 G N 2.408 111.181 108.800 -0.044 0.000 2.550 316 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.277 316 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.277 316 G C 0.719 175.584 174.900 -0.058 0.000 1.190 316 G CA 0.419 45.500 45.100 -0.032 0.000 0.971 316 G HN 0.643 nan 8.290 nan 0.000 0.559 317 E N 0.512 120.690 120.200 -0.037 0.000 2.219 317 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 317 E C 2.874 179.312 176.600 -0.271 0.000 0.998 317 E CA 1.661 58.044 56.400 -0.029 0.000 0.818 317 E CB -0.632 29.128 29.700 0.101 0.000 0.741 317 E HN 0.968 nan 8.360 nan 0.000 0.477 318 A N 1.173 123.710 122.820 -0.472 0.000 2.131 318 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 318 A C 2.334 179.588 177.584 -0.551 0.000 1.158 318 A CA 1.989 53.463 52.037 -0.939 0.000 0.665 318 A CB -0.640 18.058 19.000 -0.503 0.000 0.795 318 A HN 0.390 nan 8.150 nan 0.000 0.460 319 T N -3.606 110.794 114.554 -0.257 0.000 3.044 319 T HA 0.348 4.698 4.350 -0.000 0.000 0.255 319 T C 1.018 175.686 174.700 -0.055 0.000 1.073 319 T CA 0.882 62.911 62.100 -0.118 0.000 1.125 319 T CB -0.450 68.376 68.868 -0.071 0.000 0.908 319 T HN 0.550 nan 8.240 nan 0.000 0.480 320 K N 1.786 122.168 120.400 -0.030 0.000 2.312 320 K HA 0.687 5.007 4.320 -0.000 0.000 0.287 320 K C 0.683 177.345 176.600 0.103 0.000 1.062 320 K CA -0.208 56.098 56.287 0.031 0.000 0.934 320 K CB 0.067 32.597 32.500 0.051 0.000 1.027 320 K HN 0.551 nan 8.250 nan 0.000 0.478 321 G N -0.039 108.760 108.800 -0.001 0.000 2.535 321 G HA2 0.327 4.287 3.960 -0.000 0.000 0.282 321 G HA3 0.327 4.287 3.960 -0.000 0.000 0.282 321 G C 0.660 175.349 174.900 -0.351 0.000 1.350 321 G CA -0.135 44.857 45.100 -0.180 0.000 1.039 321 G HN 0.712 nan 8.290 nan 0.000 0.509 322 Y N -0.096 119.607 120.300 -0.995 0.000 2.070 322 Y HA -0.125 4.425 4.550 0.000 0.000 0.280 322 Y C 2.711 178.485 175.900 -0.211 0.000 1.148 322 Y CA 1.754 59.471 58.100 -0.637 0.000 1.125 322 Y CB -0.492 37.631 38.460 -0.561 0.000 0.975 322 Y HN 0.192 nan 8.280 nan 0.000 0.492 323 L N 0.082 121.158 121.223 -0.245 0.000 2.353 323 L HA -0.193 4.147 4.340 -0.000 0.000 0.220 323 L C 1.363 178.135 176.870 -0.165 0.000 1.133 323 L CA 1.144 55.843 54.840 -0.235 0.000 0.798 323 L CB -0.545 41.439 42.059 -0.126 0.000 0.922 323 L HN 0.210 nan 8.230 nan 0.000 0.445 324 D N -0.496 119.828 120.400 -0.126 0.000 2.363 324 D HA -0.074 4.566 4.640 -0.000 0.000 0.226 324 D C 0.645 176.914 176.300 -0.051 0.000 1.020 324 D CA 0.590 54.548 54.000 -0.069 0.000 0.892 324 D CB -0.075 40.701 40.800 -0.041 0.000 0.900 324 D HN 0.242 nan 8.370 nan 0.000 0.531 325 D N 0.672 121.023 120.400 -0.081 0.000 2.325 325 D HA 0.054 4.694 4.640 -0.000 0.000 0.251 325 D C -1.675 174.589 176.300 -0.060 0.000 1.196 325 D CA -1.918 52.057 54.000 -0.043 0.000 0.866 325 D CB 2.191 42.963 40.800 -0.046 0.000 1.101 325 D HN -0.112 nan 8.370 nan 0.000 0.476 326 P HA -0.097 nan 4.420 nan 0.000 0.218 326 P C 1.083 178.371 177.300 -0.020 0.000 1.148 326 P CA 1.161 64.248 63.100 -0.021 0.000 0.822 326 P CB 0.217 31.916 31.700 -0.002 0.000 0.784 327 T N -1.596 112.957 114.554 -0.001 0.000 2.977 327 T HA -0.035 4.315 4.350 -0.000 0.000 0.271 327 T C 0.926 175.620 174.700 -0.010 0.000 1.105 327 T CA 0.407 62.516 62.100 0.016 0.000 1.116 327 T CB -0.528 68.377 68.868 0.061 0.000 0.878 327 T HN -0.010 nan 8.240 nan 0.000 0.509 328 V N 2.981 122.853 119.914 -0.071 0.000 2.439 328 V HA 0.367 4.487 4.120 -0.000 0.000 0.282 328 V C -2.505 173.520 176.094 -0.116 0.000 1.039 328 V CA -2.781 59.441 62.300 -0.129 0.000 0.913 328 V CB 1.283 32.896 31.823 -0.350 0.000 0.983 328 V HN 0.048 nan 8.190 nan 0.000 0.460 329 P HA 0.160 nan 4.420 nan 0.000 0.258 329 P C 0.898 178.157 177.300 -0.068 0.000 1.187 329 P CA 0.694 63.759 63.100 -0.057 0.000 0.767 329 P CB 0.370 32.047 31.700 -0.038 0.000 0.770 330 R N 3.717 124.182 120.500 -0.058 0.000 2.267 330 R HA -0.158 4.182 4.340 -0.000 0.000 0.259 330 R C 1.687 177.962 176.300 -0.041 0.000 1.192 330 R CA 2.164 58.231 56.100 -0.054 0.000 1.013 330 R CB -1.771 28.506 30.300 -0.039 0.000 0.877 330 R HN 0.649 nan 8.270 nan 0.000 0.474 331 G N -0.548 108.235 108.800 -0.029 0.000 4.044 331 G HA2 0.353 4.313 3.960 -0.000 0.000 0.297 331 G HA3 0.353 4.313 3.960 -0.000 0.000 0.297 331 G C 0.045 174.945 174.900 -0.001 0.000 1.101 331 G CA 0.550 45.642 45.100 -0.014 0.000 0.884 331 G HN 0.561 nan 8.290 nan 0.000 0.538 332 S N 0.113 115.814 115.700 0.002 0.000 2.576 332 S HA 0.373 4.843 4.470 -0.000 0.000 0.276 332 S C 1.462 176.112 174.600 0.084 0.000 1.339 332 S CA 0.629 58.854 58.200 0.043 0.000 1.039 332 S CB 0.814 64.050 63.200 0.060 0.000 0.902 332 S HN 0.405 nan 8.310 nan 0.000 0.516 333 T N 0.397 115.001 114.554 0.083 0.000 3.145 333 T HA 0.237 4.587 4.350 -0.000 0.000 0.281 333 T C 0.284 175.034 174.700 0.084 0.000 1.003 333 T CA -0.417 61.730 62.100 0.077 0.000 0.901 333 T CB -0.216 68.675 68.868 0.037 0.000 1.112 333 T HN 0.500 nan 8.240 nan 0.000 0.535 334 T N 3.457 118.085 114.554 0.123 0.000 2.916 334 T HA 0.532 4.882 4.350 -0.000 0.000 0.303 334 T C 0.546 175.279 174.700 0.056 0.000 1.025 334 T CA -0.168 61.975 62.100 0.072 0.000 1.142 334 T CB 0.541 69.456 68.868 0.079 0.000 0.947 334 T HN 0.593 nan 8.240 nan 0.000 0.544 335 A N 2.783 125.617 122.820 0.025 0.000 2.331 335 A HA 0.487 4.807 4.320 -0.000 0.000 0.283 335 A C 1.378 179.037 177.584 0.124 0.000 1.142 335 A CA -0.601 51.479 52.037 0.072 0.000 0.812 335 A CB 0.258 19.300 19.000 0.071 0.000 1.074 335 A HN 0.922 nan 8.150 nan 0.000 0.497 336 T N -0.776 113.881 114.554 0.173 0.000 3.040 336 T HA 0.352 4.702 4.350 -0.000 0.000 0.250 336 T C -0.170 174.686 174.700 0.259 0.000 1.058 336 T CA 0.211 62.434 62.100 0.205 0.000 0.988 336 T CB -0.370 68.572 68.868 0.122 0.000 0.993 336 T HN 0.649 nan 8.240 nan 0.000 0.519 337 F N 1.120 121.123 119.950 0.089 0.000 2.619 337 F HA 0.714 5.241 4.527 -0.000 0.000 0.308 337 F C -1.787 173.980 175.800 -0.055 0.000 1.097 337 F CA -1.198 56.778 58.000 -0.040 0.000 0.953 337 F CB 1.557 40.433 39.000 -0.206 0.000 1.287 337 F HN 0.173 nan 8.300 nan 0.000 0.446 338 A N 3.435 125.682 122.820 -0.954 0.000 2.540 338 A HA 0.857 5.177 4.320 -0.000 0.000 0.297 338 A C -2.008 175.098 177.584 -0.795 0.000 1.056 338 A CA -0.194 51.464 52.037 -0.631 0.000 0.700 338 A CB 1.062 19.880 19.000 -0.304 0.000 1.280 338 A HN 1.738 nan 8.150 nan 0.000 0.398 339 A N 1.624 124.174 122.820 -0.451 0.000 2.332 339 A HA 0.726 5.046 4.320 -0.000 0.000 0.300 339 A C -0.867 176.629 177.584 -0.147 0.000 1.153 339 A CA -0.453 51.408 52.037 -0.292 0.000 0.764 339 A CB 0.909 19.831 19.000 -0.130 0.000 1.174 339 A HN 1.498 nan 8.150 nan 0.000 0.467 340 V N 2.443 122.280 119.914 -0.129 0.000 2.823 340 V HA 0.557 4.677 4.120 -0.000 0.000 0.312 340 V C -0.394 175.659 176.094 -0.068 0.000 1.072 340 V CA -0.680 61.577 62.300 -0.072 0.000 0.937 340 V CB 1.984 33.798 31.823 -0.014 0.000 1.013 340 V HN 0.628 nan 8.190 nan 0.000 0.430 341 V N 5.138 125.000 119.914 -0.087 0.000 2.417 341 V HA 0.566 4.686 4.120 -0.000 0.000 0.291 341 V C -0.576 175.400 176.094 -0.197 0.000 1.024 341 V CA -0.398 61.840 62.300 -0.104 0.000 0.861 341 V CB 1.415 33.167 31.823 -0.118 0.000 0.985 341 V HN 0.578 nan 8.190 nan 0.000 0.436 342 L N 4.907 126.073 121.223 -0.095 0.000 2.323 342 L HA 0.697 5.037 4.340 -0.000 0.000 0.265 342 L C -1.014 175.954 176.870 0.164 0.000 1.012 342 L CA -0.511 54.259 54.840 -0.116 0.000 0.820 342 L CB 1.919 43.918 42.059 -0.099 0.000 1.334 342 L HN 0.425 nan 8.230 nan 0.000 0.427 343 Y N 0.363 120.671 120.300 0.012 0.000 2.462 343 Y HA 0.627 5.177 4.550 0.000 0.000 0.346 343 Y C -0.434 175.469 175.900 0.005 0.000 0.976 343 Y CA -1.551 56.595 58.100 0.077 0.000 1.044 343 Y CB 2.132 40.634 38.460 0.071 0.000 1.230 343 Y HN 0.089 nan 8.280 nan 0.000 0.455 344 V N 2.956 123.001 119.914 0.218 0.000 2.334 344 V HA 0.308 4.428 4.120 -0.000 0.000 0.281 344 V C -0.514 175.690 176.094 0.183 0.000 1.016 344 V CA -1.003 61.356 62.300 0.098 0.000 0.832 344 V CB 1.079 32.889 31.823 -0.021 0.000 0.999 344 V HN 0.644 nan 8.190 nan 0.000 0.439 345 E N 5.134 125.412 120.200 0.131 0.000 1.893 345 E HA 0.363 4.713 4.350 -0.000 0.000 0.269 345 E C -0.231 176.437 176.600 0.113 0.000 1.129 345 E CA -0.166 56.306 56.400 0.120 0.000 0.904 345 E CB 0.206 29.960 29.700 0.090 0.000 1.077 345 E HN 0.854 nan 8.360 nan 0.000 0.407 346 N N -0.170 118.615 118.700 0.143 0.000 2.710 346 N HA -0.004 4.736 4.740 -0.000 0.000 0.257 346 N C 0.316 175.887 175.510 0.102 0.000 1.327 346 N CA -0.862 52.260 53.050 0.121 0.000 0.861 346 N CB 0.706 39.280 38.487 0.144 0.000 1.532 346 N HN 0.142 nan 8.380 nan 0.000 0.499 347 E N -0.130 120.106 120.200 0.060 0.000 2.279 347 E HA -0.321 4.029 4.350 -0.000 0.000 0.205 347 E C 1.287 177.881 176.600 -0.010 0.000 1.028 347 E CA 1.597 58.013 56.400 0.026 0.000 0.830 347 E CB 0.182 29.892 29.700 0.017 0.000 0.736 347 E HN 0.563 nan 8.360 nan 0.000 0.478 348 R N -1.067 119.414 120.500 -0.031 0.000 2.075 348 R HA -0.045 4.295 4.340 -0.000 0.000 0.220 348 R C 0.910 177.024 176.300 -0.310 0.000 1.118 348 R CA 1.194 57.158 56.100 -0.227 0.000 0.986 348 R CB -0.063 30.027 30.300 -0.349 0.000 0.884 348 R HN 0.196 nan 8.270 nan 0.000 0.439 349 W N 1.148 122.516 121.300 0.114 0.000 3.123 349 W HA 0.229 4.889 4.660 0.000 0.000 0.383 349 W C -0.344 176.217 176.519 0.070 0.000 1.102 349 W CA -0.933 56.489 57.345 0.128 0.000 1.865 349 W CB 0.264 29.875 29.460 0.252 0.000 1.111 349 W HN 0.001 nan 8.180 nan 0.000 0.621 350 D N 0.748 121.268 120.400 0.199 0.000 2.479 350 D HA 0.226 4.866 4.640 -0.000 0.000 0.257 350 D C 1.380 177.702 176.300 0.037 0.000 1.230 350 D CA 2.244 56.308 54.000 0.107 0.000 0.912 350 D CB 0.280 41.119 40.800 0.065 0.000 1.130 350 D HN 0.337 nan 8.370 nan 0.000 0.515 351 G N 2.244 111.010 108.800 -0.056 0.000 2.232 351 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.226 351 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.226 351 G C 0.296 175.018 174.900 -0.296 0.000 0.996 351 G CA 0.047 45.030 45.100 -0.195 0.000 0.626 351 G HN 0.585 nan 8.290 nan 0.000 0.509 352 V N 4.124 123.966 119.914 -0.120 0.000 2.455 352 V HA 0.432 4.552 4.120 -0.000 0.000 0.273 352 V C -1.313 174.671 176.094 -0.185 0.000 1.045 352 V CA -1.086 61.149 62.300 -0.108 0.000 0.976 352 V CB 1.223 33.095 31.823 0.081 0.000 0.993 352 V HN 0.296 nan 8.190 nan 0.000 0.475 353 P HA 0.275 nan 4.420 nan 0.000 0.281 353 P C -1.072 176.173 177.300 -0.093 0.000 1.252 353 P CA -0.223 62.973 63.100 0.160 0.000 0.778 353 P CB 0.587 32.427 31.700 0.233 0.000 0.895 354 F N 3.131 123.129 119.950 0.080 0.000 2.361 354 F HA 0.397 4.924 4.527 -0.000 0.000 0.364 354 F C 0.803 176.556 175.800 -0.079 0.000 1.117 354 F CA -0.575 57.380 58.000 -0.076 0.000 1.071 354 F CB 0.897 39.818 39.000 -0.131 0.000 1.188 354 F HN 0.094 nan 8.300 nan 0.000 0.464 355 I N 5.654 126.203 120.570 -0.035 0.000 2.297 355 I HA 0.249 4.419 4.170 -0.000 0.000 0.291 355 I C -0.684 175.375 176.117 -0.095 0.000 1.033 355 I CA -0.377 60.875 61.300 -0.080 0.000 1.253 355 I CB 0.716 38.618 38.000 -0.164 0.000 1.396 355 I HN 0.335 nan 8.210 nan 0.000 0.476 356 L N 7.937 129.110 121.223 -0.084 0.000 2.276 356 L HA 0.560 4.900 4.340 -0.000 0.000 0.286 356 L C 0.013 176.776 176.870 -0.178 0.000 1.024 356 L CA -0.652 54.121 54.840 -0.112 0.000 0.826 356 L CB 0.833 42.841 42.059 -0.085 0.000 1.211 356 L HN 0.676 nan 8.230 nan 0.000 0.422 357 R N 3.122 123.502 120.500 -0.201 0.000 2.561 357 R HA 0.835 5.175 4.340 -0.000 0.000 0.297 357 R C -0.940 175.197 176.300 -0.271 0.000 0.969 357 R CA -0.594 55.334 56.100 -0.287 0.000 0.879 357 R CB 1.817 31.983 30.300 -0.222 0.000 1.178 357 R HN 0.728 nan 8.270 nan 0.000 0.445 358 C N -0.346 118.696 119.300 -0.429 0.000 3.288 358 C HA 1.019 5.479 4.460 -0.000 0.000 0.318 358 C C -0.251 174.536 174.990 -0.338 0.000 1.356 358 C CA -0.135 58.735 59.018 -0.247 0.000 1.359 358 C CB 1.248 28.874 27.740 -0.190 0.000 1.688 358 C HN 1.255 nan 8.230 nan 0.000 0.467 359 G N 1.140 109.900 108.800 -0.067 0.000 2.377 359 G HA2 0.513 4.473 3.960 -0.000 0.000 0.297 359 G HA3 0.513 4.473 3.960 -0.000 0.000 0.297 359 G C -2.164 172.705 174.900 -0.051 0.000 1.547 359 G CA -0.814 44.296 45.100 0.016 0.000 0.833 359 G HN 0.953 nan 8.290 nan 0.000 0.583 360 K N -0.159 120.173 120.400 -0.113 0.000 2.139 360 K HA 0.664 4.984 4.320 -0.000 0.000 0.243 360 K C 0.701 177.026 176.600 -0.460 0.000 0.983 360 K CA 0.166 56.234 56.287 -0.365 0.000 0.890 360 K CB 1.778 33.982 32.500 -0.493 0.000 1.090 360 K HN 1.934 nan 8.250 nan 0.000 0.445 361 A N 1.087 123.475 122.820 -0.719 0.000 2.739 361 A HA -0.172 4.148 4.320 -0.000 0.000 0.296 361 A C -0.291 176.986 177.584 -0.512 0.000 1.488 361 A CA 0.593 52.038 52.037 -0.988 0.000 0.746 361 A CB -2.247 15.737 19.000 -1.693 0.000 1.047 361 A HN 0.524 nan 8.150 nan 0.000 0.477 362 L N -0.692 120.343 121.223 -0.314 0.000 2.578 362 L HA 0.413 4.753 4.340 -0.000 0.000 0.259 362 L C 1.993 178.808 176.870 -0.092 0.000 1.082 362 L CA -0.425 54.325 54.840 -0.149 0.000 0.843 362 L CB 0.150 42.124 42.059 -0.141 0.000 1.535 362 L HN 0.597 nan 8.230 nan 0.000 0.510 363 N N -0.090 118.580 118.700 -0.049 0.000 2.494 363 N HA -0.082 4.658 4.740 -0.000 0.000 0.182 363 N C -0.069 175.431 175.510 -0.016 0.000 1.076 363 N CA 0.446 53.491 53.050 -0.009 0.000 0.908 363 N CB 0.239 38.725 38.487 -0.002 0.000 0.967 363 N HN 0.799 nan 8.380 nan 0.000 0.449 364 E N -1.079 119.088 120.200 -0.055 0.000 2.425 364 E HA 0.382 4.731 4.350 -0.000 0.000 0.272 364 E C -1.380 175.156 176.600 -0.106 0.000 1.061 364 E CA -1.123 55.245 56.400 -0.053 0.000 0.877 364 E CB 1.407 31.081 29.700 -0.044 0.000 1.590 364 E HN -0.005 nan 8.360 nan 0.000 0.462 365 R N 0.914 121.356 120.500 -0.097 0.000 2.483 365 R HA 0.427 4.767 4.340 -0.000 0.000 0.303 365 R C -1.559 174.651 176.300 -0.150 0.000 0.987 365 R CA -0.450 55.559 56.100 -0.152 0.000 0.881 365 R CB 1.064 31.317 30.300 -0.079 0.000 1.177 365 R HN 0.713 nan 8.270 nan 0.000 0.451 366 K N 1.859 122.127 120.400 -0.220 0.000 2.597 366 K HA 0.690 5.010 4.320 -0.000 0.000 0.282 366 K C -2.218 174.249 176.600 -0.222 0.000 0.975 366 K CA -1.011 55.171 56.287 -0.175 0.000 0.867 366 K CB 1.894 34.326 32.500 -0.112 0.000 1.465 366 K HN 0.425 nan 8.250 nan 0.000 0.417 367 A N 1.782 124.524 122.820 -0.131 0.000 2.414 367 A HA 0.557 4.877 4.320 -0.000 0.000 0.286 367 A C -1.345 176.220 177.584 -0.032 0.000 1.073 367 A CA -0.454 51.553 52.037 -0.051 0.000 0.727 367 A CB 1.036 20.091 19.000 0.091 0.000 1.215 367 A HN 0.869 nan 8.150 nan 0.000 0.430 368 E N 0.904 121.077 120.200 -0.045 0.000 2.433 368 E HA 0.717 5.067 4.350 -0.000 0.000 0.278 368 E C -1.758 174.794 176.600 -0.081 0.000 0.976 368 E CA -0.962 55.395 56.400 -0.073 0.000 0.793 368 E CB 1.952 31.590 29.700 -0.102 0.000 1.311 368 E HN 0.314 nan 8.360 nan 0.000 0.460 369 V N 1.099 120.953 119.914 -0.101 0.000 2.495 369 V HA 0.598 4.718 4.120 -0.000 0.000 0.298 369 V C -0.263 175.732 176.094 -0.166 0.000 1.031 369 V CA -0.702 61.532 62.300 -0.109 0.000 0.871 369 V CB 1.350 33.133 31.823 -0.067 0.000 0.988 369 V HN 0.697 nan 8.190 nan 0.000 0.432 370 R N 4.905 125.286 120.500 -0.198 0.000 2.574 370 R HA 0.727 5.067 4.340 -0.000 0.000 0.288 370 R C -2.071 174.045 176.300 -0.308 0.000 1.004 370 R CA -0.689 55.269 56.100 -0.237 0.000 0.895 370 R CB 1.684 31.868 30.300 -0.193 0.000 1.191 370 R HN 0.724 nan 8.270 nan 0.000 0.444 371 L N 3.790 124.774 121.223 -0.399 0.000 2.333 371 L HA 0.470 4.810 4.340 -0.000 0.000 0.280 371 L C -0.532 175.956 176.870 -0.636 0.000 1.004 371 L CA -0.882 53.595 54.840 -0.605 0.000 0.820 371 L CB 1.924 43.442 42.059 -0.901 0.000 1.247 371 L HN 0.635 nan 8.230 nan 0.000 0.416 372 Q N 2.723 122.208 119.800 -0.526 0.000 2.325 372 Q HA 0.498 4.838 4.340 -0.000 0.000 0.262 372 Q C -1.308 174.381 176.000 -0.520 0.000 0.968 372 Q CA -0.590 54.993 55.803 -0.367 0.000 0.877 372 Q CB 1.321 30.007 28.738 -0.087 0.000 1.253 372 Q HN 0.436 nan 8.270 nan 0.000 0.448 373 F N 1.167 121.013 119.950 -0.174 0.000 2.368 373 F HA 0.284 4.811 4.527 0.000 0.000 0.315 373 F C 1.081 176.767 175.800 -0.191 0.000 1.145 373 F CA -0.475 57.413 58.000 -0.186 0.000 1.095 373 F CB 0.507 39.449 39.000 -0.096 0.000 1.286 373 F HN 0.503 nan 8.300 nan 0.000 0.530 374 H N 0.569 119.735 119.070 0.161 0.000 2.607 374 H HA 0.077 4.633 4.556 -0.000 0.000 0.367 374 H C -0.457 174.903 175.328 0.054 0.000 1.181 374 H CA -0.269 55.819 56.048 0.067 0.000 1.402 374 H CB 0.513 30.302 29.762 0.045 0.000 1.474 374 H HN 0.480 nan 8.280 nan 0.000 0.596 375 D N 1.171 121.679 120.400 0.180 0.000 2.423 375 D HA -0.009 4.631 4.640 -0.000 0.000 0.238 375 D C 0.287 176.637 176.300 0.083 0.000 1.142 375 D CA -0.030 54.026 54.000 0.094 0.000 0.884 375 D CB 1.343 42.183 40.800 0.066 0.000 1.199 375 D HN 0.094 nan 8.370 nan 0.000 0.438 376 V N 1.393 121.342 119.914 0.059 0.000 2.740 376 V HA 0.163 4.283 4.120 -0.000 0.000 0.303 376 V C 0.793 176.911 176.094 0.039 0.000 1.054 376 V CA -0.289 62.041 62.300 0.049 0.000 1.106 376 V CB 0.974 32.831 31.823 0.057 0.000 0.957 376 V HN 0.649 nan 8.190 nan 0.000 0.486 377 A N 3.943 126.777 122.820 0.023 0.000 2.401 377 A HA 0.594 4.914 4.320 -0.000 0.000 0.259 377 A C 1.133 178.720 177.584 0.005 0.000 1.103 377 A CA 0.281 52.322 52.037 0.007 0.000 0.789 377 A CB 0.015 19.012 19.000 -0.006 0.000 1.035 377 A HN 2.229 nan 8.150 nan 0.000 0.491 378 G N 2.415 111.213 108.800 -0.004 0.000 2.353 378 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.294 378 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.294 378 G C -0.239 174.647 174.900 -0.024 0.000 1.077 378 G CA 0.457 45.546 45.100 -0.018 0.000 1.098 378 G HN 1.318 nan 8.290 nan 0.000 0.511 379 D N -0.513 119.881 120.400 -0.010 0.000 2.458 379 D HA 0.324 4.964 4.640 -0.000 0.000 0.243 379 D C 1.840 178.071 176.300 -0.114 0.000 1.146 379 D CA 0.554 54.553 54.000 -0.002 0.000 0.877 379 D CB 0.233 41.053 40.800 0.033 0.000 1.176 379 D HN 0.670 nan 8.370 nan 0.000 0.461 380 I N -0.216 120.216 120.570 -0.229 0.000 4.081 380 I HA 0.258 4.428 4.170 -0.000 0.000 0.333 380 I C -0.218 175.443 176.117 -0.761 0.000 1.413 380 I CA -0.535 60.460 61.300 -0.508 0.000 1.110 380 I CB 0.110 37.763 38.000 -0.577 0.000 1.082 380 I HN 0.176 nan 8.210 nan 0.000 0.402 381 F N 1.517 121.332 119.950 -0.225 0.000 2.684 381 F HA 0.362 4.889 4.527 -0.000 0.000 0.298 381 F C 0.141 175.887 175.800 -0.091 0.000 1.120 381 F CA -0.684 57.219 58.000 -0.162 0.000 1.332 381 F CB -0.780 38.190 39.000 -0.049 0.000 0.986 381 F HN 0.152 nan 8.300 nan 0.000 0.524 382 H N 0.943 120.077 119.070 0.106 0.000 2.631 382 H HA -0.238 4.318 4.556 -0.000 0.000 0.322 382 H C 0.956 176.330 175.328 0.077 0.000 1.035 382 H CA 0.338 56.428 56.048 0.069 0.000 1.070 382 H CB -1.197 28.596 29.762 0.052 0.000 1.622 382 H HN 0.484 nan 8.280 nan 0.000 0.373 383 Q N -0.252 119.631 119.800 0.137 0.000 2.363 383 Q HA -0.442 3.898 4.340 -0.000 0.000 0.253 383 Q C 0.420 176.468 176.000 0.079 0.000 1.031 383 Q CA 2.157 58.016 55.803 0.093 0.000 1.048 383 Q CB -1.327 27.452 28.738 0.067 0.000 1.545 383 Q HN 0.912 nan 8.270 nan 0.000 0.546 384 Q N -0.463 119.400 119.800 0.105 0.000 2.435 384 Q HA 0.067 4.407 4.340 -0.000 0.000 0.207 384 Q C 0.636 176.639 176.000 0.005 0.000 0.956 384 Q CA 0.783 56.622 55.803 0.059 0.000 0.917 384 Q CB 0.314 29.100 28.738 0.081 0.000 0.997 384 Q HN 0.590 nan 8.270 nan 0.000 0.497 385 C N 1.945 121.249 119.300 0.006 0.000 2.657 385 C HA 0.278 4.738 4.460 -0.000 0.000 0.404 385 C C 0.436 175.403 174.990 -0.038 0.000 1.291 385 C CA -0.559 58.435 59.018 -0.040 0.000 2.218 385 C CB 0.208 27.933 27.740 -0.025 0.000 2.687 385 C HN 0.200 nan 8.230 nan 0.000 0.634 386 K N 1.319 121.684 120.400 -0.059 0.000 2.375 386 K HA 0.417 4.737 4.320 -0.000 0.000 0.249 386 K C -0.557 176.008 176.600 -0.059 0.000 0.942 386 K CA -0.623 55.623 56.287 -0.069 0.000 0.806 386 K CB 1.475 33.919 32.500 -0.092 0.000 1.227 386 K HN 0.639 nan 8.250 nan 0.000 0.430 387 R N 1.316 121.783 120.500 -0.056 0.000 2.585 387 R HA 0.052 4.392 4.340 -0.000 0.000 0.275 387 R C 0.328 176.629 176.300 0.003 0.000 1.018 387 R CA 0.354 56.444 56.100 -0.017 0.000 1.072 387 R CB 0.103 30.379 30.300 -0.039 0.000 0.953 387 R HN 0.554 nan 8.270 nan 0.000 0.419 388 N N 1.594 120.345 118.700 0.084 0.000 2.444 388 N HA 0.066 4.806 4.740 -0.000 0.000 0.255 388 N C -0.648 175.016 175.510 0.257 0.000 1.255 388 N CA -0.038 53.095 53.050 0.139 0.000 0.933 388 N CB 0.735 39.292 38.487 0.117 0.000 1.143 388 N HN 0.461 nan 8.380 nan 0.000 0.453 389 E N 0.534 120.853 120.200 0.198 0.000 2.343 389 E HA 0.328 4.678 4.350 -0.000 0.000 0.278 389 E C -1.609 175.049 176.600 0.097 0.000 0.910 389 E CA -0.773 55.678 56.400 0.085 0.000 0.757 389 E CB 2.279 31.970 29.700 -0.016 0.000 1.218 389 E HN 0.188 nan 8.360 nan 0.000 0.435 390 L N 2.483 123.691 121.223 -0.025 0.000 2.313 390 L HA 0.566 4.906 4.340 -0.000 0.000 0.283 390 L C -1.585 175.137 176.870 -0.247 0.000 1.013 390 L CA -0.681 54.113 54.840 -0.076 0.000 0.816 390 L CB 1.684 43.712 42.059 -0.052 0.000 1.236 390 L HN 0.383 nan 8.230 nan 0.000 0.419 391 V N 6.436 126.115 119.914 -0.391 0.000 2.656 391 V HA 0.549 4.669 4.120 -0.000 0.000 0.307 391 V C -0.312 175.515 176.094 -0.446 0.000 1.051 391 V CA -0.411 61.585 62.300 -0.506 0.000 0.893 391 V CB 1.940 33.233 31.823 -0.883 0.000 0.999 391 V HN 0.637 nan 8.190 nan 0.000 0.426 392 I N 4.363 124.764 120.570 -0.281 0.000 2.493 392 I HA 0.461 4.631 4.170 -0.000 0.000 0.279 392 I C 0.031 176.053 176.117 -0.159 0.000 1.045 392 I CA -0.355 60.834 61.300 -0.185 0.000 1.106 392 I CB 1.395 39.327 38.000 -0.114 0.000 1.216 392 I HN 0.478 nan 8.210 nan 0.000 0.459 393 R N 5.129 125.541 120.500 -0.146 0.000 2.210 393 R HA 0.322 4.662 4.340 -0.000 0.000 0.338 393 R C 0.595 176.827 176.300 -0.114 0.000 1.062 393 R CA -0.189 55.847 56.100 -0.107 0.000 0.902 393 R CB 1.201 31.464 30.300 -0.061 0.000 1.050 393 R HN 0.555 nan 8.270 nan 0.000 0.461 394 V N 4.089 123.944 119.914 -0.098 0.000 2.358 394 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 394 V C 0.682 176.699 176.094 -0.127 0.000 1.047 394 V CA 1.589 63.821 62.300 -0.113 0.000 1.035 394 V CB -0.635 31.151 31.823 -0.062 0.000 0.658 394 V HN 0.847 nan 8.190 nan 0.000 0.452 395 Q N -0.932 118.811 119.800 -0.096 0.000 2.545 395 Q HA 0.430 4.770 4.340 -0.000 0.000 0.273 395 Q C -3.242 172.714 176.000 -0.074 0.000 0.975 395 Q CA -1.533 54.218 55.803 -0.087 0.000 0.876 395 Q CB 2.435 31.118 28.738 -0.092 0.000 1.472 395 Q HN 0.083 nan 8.270 nan 0.000 0.389 396 P HA 0.223 nan 4.420 nan 0.000 0.297 396 P C -0.895 176.385 177.300 -0.034 0.000 1.307 396 P CA -0.213 62.863 63.100 -0.039 0.000 0.773 396 P CB 0.184 31.872 31.700 -0.019 0.000 1.265 397 N N -0.889 117.802 118.700 -0.016 0.000 2.686 397 N HA -0.173 4.567 4.740 -0.000 0.000 0.261 397 N C -0.292 175.208 175.510 -0.017 0.000 1.001 397 N CA 0.628 53.680 53.050 0.004 0.000 0.764 397 N CB -1.248 37.254 38.487 0.024 0.000 0.898 397 N HN 0.424 nan 8.380 nan 0.000 0.544 398 E N -0.693 119.463 120.200 -0.074 0.000 3.025 398 E HA 0.171 4.521 4.350 -0.000 0.000 0.248 398 E C 0.288 176.794 176.600 -0.158 0.000 0.938 398 E CA 0.868 57.159 56.400 -0.182 0.000 0.958 398 E CB 0.182 29.677 29.700 -0.342 0.000 0.898 398 E HN 0.487 nan 8.360 nan 0.000 0.537 399 A N 2.586 125.350 122.820 -0.094 0.000 2.606 399 A HA 0.632 4.952 4.320 -0.000 0.000 0.293 399 A C -1.259 176.355 177.584 0.051 0.000 1.082 399 A CA -0.476 51.594 52.037 0.055 0.000 0.685 399 A CB 2.459 21.550 19.000 0.153 0.000 1.284 399 A HN 0.647 nan 8.150 nan 0.000 0.408 400 V N 1.725 121.729 119.914 0.149 0.000 2.686 400 V HA 0.894 5.014 4.120 -0.000 0.000 0.306 400 V C -1.695 174.519 176.094 0.201 0.000 1.065 400 V CA -0.447 61.891 62.300 0.064 0.000 0.894 400 V CB 1.570 33.440 31.823 0.077 0.000 1.004 400 V HN 1.751 nan 8.190 nan 0.000 0.424 401 Y N 1.902 122.243 120.300 0.068 0.000 2.638 401 Y HA 0.882 5.432 4.550 -0.000 0.000 0.335 401 Y C -0.626 175.328 175.900 0.090 0.000 1.155 401 Y CA -0.520 57.635 58.100 0.092 0.000 1.046 401 Y CB 1.608 40.109 38.460 0.068 0.000 1.303 401 Y HN 0.694 nan 8.280 nan 0.000 0.460 402 T N -0.371 114.377 114.554 0.324 0.000 2.840 402 T HA 0.513 4.863 4.350 -0.000 0.000 0.287 402 T C -1.125 173.709 174.700 0.224 0.000 0.991 402 T CA -1.096 61.142 62.100 0.230 0.000 0.964 402 T CB 1.240 70.248 68.868 0.233 0.000 0.954 402 T HN 0.660 nan 8.240 nan 0.000 0.438 403 K N 3.713 124.208 120.400 0.159 0.000 2.312 403 K HA 0.549 4.869 4.320 -0.000 0.000 0.287 403 K C -0.169 176.433 176.600 0.003 0.000 1.062 403 K CA -0.443 55.861 56.287 0.029 0.000 0.934 403 K CB 0.524 32.928 32.500 -0.161 0.000 1.027 403 K HN 0.684 nan 8.250 nan 0.000 0.478 404 M N 0.402 120.003 119.600 0.001 0.000 2.846 404 M HA 0.563 5.043 4.480 -0.000 0.000 0.282 404 M C -0.931 175.348 176.300 -0.035 0.000 1.266 404 M CA -1.023 54.268 55.300 -0.014 0.000 0.766 404 M CB 0.704 33.306 32.600 0.004 0.000 1.739 404 M HN 0.104 nan 8.290 nan 0.000 0.442 405 M N 0.758 120.322 119.600 -0.059 0.000 2.318 405 M HA 0.706 5.186 4.480 -0.000 0.000 0.347 405 M C -0.610 175.641 176.300 -0.081 0.000 1.175 405 M CA 0.034 55.281 55.300 -0.090 0.000 1.075 405 M CB 1.083 33.589 32.600 -0.156 0.000 1.614 405 M HN 0.921 nan 8.290 nan 0.000 0.456 406 T N 1.581 116.090 114.554 -0.074 0.000 2.923 406 T HA 0.279 4.629 4.350 -0.000 0.000 0.311 406 T C -0.919 173.748 174.700 -0.054 0.000 1.183 406 T CA -0.857 61.212 62.100 -0.052 0.000 1.020 406 T CB 1.702 70.564 68.868 -0.011 0.000 1.165 406 T HN 0.740 nan 8.240 nan 0.000 0.482 407 K N 3.468 123.847 120.400 -0.035 0.000 2.472 407 K HA 0.056 4.376 4.320 -0.000 0.000 0.280 407 K C 0.210 176.822 176.600 0.020 0.000 1.028 407 K CA -0.079 56.206 56.287 -0.002 0.000 1.045 407 K CB 0.337 32.858 32.500 0.036 0.000 0.902 407 K HN 0.592 nan 8.250 nan 0.000 0.478 408 K N 6.797 127.206 120.400 0.014 0.000 2.466 408 K HA 0.015 4.335 4.320 -0.000 0.000 0.278 408 K C -2.045 174.622 176.600 0.112 0.000 1.048 408 K CA -1.118 55.157 56.287 -0.020 0.000 1.088 408 K CB 0.388 32.781 32.500 -0.178 0.000 0.884 408 K HN 0.423 nan 8.250 nan 0.000 0.478 409 P HA 0.055 nan 4.420 nan 0.000 0.267 409 P C 0.235 177.701 177.300 0.277 0.000 1.205 409 P CA 0.443 63.624 63.100 0.136 0.000 0.765 409 P CB 0.897 32.638 31.700 0.068 0.000 0.828 410 G N 3.615 112.546 108.800 0.219 0.000 2.396 410 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.254 410 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.254 410 G C -0.158 174.746 174.900 0.007 0.000 1.248 410 G CA -0.720 44.477 45.100 0.161 0.000 1.033 410 G HN 0.394 nan 8.290 nan 0.000 0.502 411 M N 1.062 120.453 119.600 -0.348 0.000 3.709 411 M HA 0.384 4.864 4.480 -0.000 0.000 0.197 411 M C -0.847 174.997 176.300 -0.759 0.000 1.511 411 M CA 0.882 55.900 55.300 -0.470 0.000 1.688 411 M CB -1.860 30.473 32.600 -0.445 0.000 1.109 411 M HN 0.284 nan 8.290 nan 0.000 0.561 412 F N -1.757 118.202 119.950 0.014 0.000 2.576 412 F HA 0.516 5.043 4.527 0.000 0.000 0.313 412 F C 0.846 176.663 175.800 0.028 0.000 1.078 412 F CA -0.860 57.151 58.000 0.019 0.000 0.921 412 F CB 0.820 39.829 39.000 0.015 0.000 1.232 412 F HN 0.145 nan 8.300 nan 0.000 0.459 413 F N -0.140 119.950 119.950 0.233 0.000 2.453 413 F HA 0.141 4.668 4.527 -0.000 0.000 0.284 413 F C 1.027 176.928 175.800 0.168 0.000 1.065 413 F CA 0.173 58.271 58.000 0.164 0.000 1.411 413 F CB -0.625 38.455 39.000 0.133 0.000 1.131 413 F HN 0.545 nan 8.300 nan 0.000 0.582 414 N N 2.674 121.474 118.700 0.167 0.000 2.453 414 N HA 0.221 4.961 4.740 -0.000 0.000 0.253 414 N C -3.260 172.275 175.510 0.042 0.000 1.252 414 N CA -1.044 52.078 53.050 0.120 0.000 0.917 414 N CB 0.896 39.444 38.487 0.102 0.000 1.117 414 N HN 0.321 nan 8.380 nan 0.000 0.442 415 P HA 0.315 nan 4.420 nan 0.000 0.283 415 P C -0.972 176.274 177.300 -0.090 0.000 1.271 415 P CA -0.289 62.747 63.100 -0.106 0.000 0.841 415 P CB 1.523 33.062 31.700 -0.268 0.000 1.122 416 E N -1.029 119.122 120.200 -0.082 0.000 2.449 416 E HA 0.393 4.743 4.350 -0.000 0.000 0.278 416 E C -1.050 175.533 176.600 -0.028 0.000 0.992 416 E CA -0.999 55.367 56.400 -0.056 0.000 0.807 416 E CB 1.028 30.691 29.700 -0.062 0.000 1.350 416 E HN 0.284 nan 8.360 nan 0.000 0.462 417 E N 0.403 120.612 120.200 0.016 0.000 2.390 417 E HA 0.353 4.703 4.350 -0.000 0.000 0.261 417 E C -0.617 176.067 176.600 0.141 0.000 1.076 417 E CA 0.027 56.458 56.400 0.052 0.000 0.905 417 E CB 1.529 31.265 29.700 0.059 0.000 0.984 417 E HN 0.440 nan 8.360 nan 0.000 0.427 418 S N 0.840 116.620 115.700 0.133 0.000 2.815 418 S HA 0.344 4.814 4.470 -0.000 0.000 0.296 418 S C -2.087 172.617 174.600 0.173 0.000 1.224 418 S CA -0.736 57.579 58.200 0.192 0.000 0.938 418 S CB 1.391 64.652 63.200 0.101 0.000 1.285 418 S HN 0.587 nan 8.310 nan 0.000 0.549 419 E N 1.017 121.321 120.200 0.174 0.000 2.401 419 E HA 0.314 4.664 4.350 -0.000 0.000 0.283 419 E C -1.956 174.740 176.600 0.161 0.000 1.053 419 E CA -0.642 55.860 56.400 0.170 0.000 0.842 419 E CB -0.031 29.793 29.700 0.208 0.000 1.222 419 E HN 0.583 nan 8.360 nan 0.000 0.429 420 L N 1.972 123.298 121.223 0.170 0.000 2.264 420 L HA 0.534 4.874 4.340 -0.000 0.000 0.289 420 L C -0.097 176.902 176.870 0.215 0.000 1.044 420 L CA -0.624 54.312 54.840 0.159 0.000 0.807 420 L CB 0.936 43.080 42.059 0.141 0.000 1.192 420 L HN 0.620 nan 8.230 nan 0.000 0.425 421 D N 3.322 123.835 120.400 0.188 0.000 2.419 421 D HA 0.624 5.264 4.640 -0.000 0.000 0.234 421 D C -1.472 174.942 176.300 0.190 0.000 1.014 421 D CA -0.543 53.588 54.000 0.219 0.000 0.919 421 D CB 2.219 43.116 40.800 0.161 0.000 1.366 421 D HN 0.252 nan 8.370 nan 0.000 0.490 422 L N 2.256 123.615 121.223 0.228 0.000 2.518 422 L HA 0.495 4.835 4.340 -0.000 0.000 0.262 422 L C -1.485 175.544 176.870 0.266 0.000 0.982 422 L CA -0.080 54.884 54.840 0.208 0.000 0.873 422 L CB 1.662 43.864 42.059 0.239 0.000 1.198 422 L HN 0.442 nan 8.230 nan 0.000 0.427 423 T N 4.836 119.518 114.554 0.213 0.000 2.772 423 T HA 0.272 4.622 4.350 -0.000 0.000 0.288 423 T C 0.778 175.649 174.700 0.286 0.000 0.994 423 T CA -0.063 62.182 62.100 0.242 0.000 0.951 423 T CB 0.623 69.593 68.868 0.169 0.000 0.933 423 T HN 0.403 nan 8.240 nan 0.000 0.447 424 Y N 2.574 122.943 120.300 0.115 0.000 2.207 424 Y HA -0.072 4.478 4.550 0.000 0.000 0.287 424 Y C 2.560 178.532 175.900 0.121 0.000 1.156 424 Y CA 1.451 59.659 58.100 0.180 0.000 1.182 424 Y CB -0.932 37.645 38.460 0.194 0.000 0.979 424 Y HN 0.790 nan 8.280 nan 0.000 0.521 425 G N -0.707 108.236 108.800 0.238 0.000 2.475 425 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 425 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 425 G C 1.447 176.402 174.900 0.092 0.000 1.125 425 G CA 1.525 46.711 45.100 0.143 0.000 0.755 425 G HN 0.407 nan 8.290 nan 0.000 0.565 426 N N -0.836 117.904 118.700 0.067 0.000 2.511 426 N HA 0.096 4.836 4.740 -0.000 0.000 0.190 426 N C 1.975 177.449 175.510 -0.061 0.000 1.037 426 N CA 0.312 53.371 53.050 0.014 0.000 0.895 426 N CB -0.219 38.280 38.487 0.019 0.000 1.149 426 N HN 0.074 nan 8.380 nan 0.000 0.437 427 R N 0.115 120.524 120.500 -0.151 0.000 2.105 427 R HA -0.010 4.330 4.340 -0.000 0.000 0.239 427 R C -0.166 175.795 176.300 -0.564 0.000 1.135 427 R CA 1.491 57.336 56.100 -0.424 0.000 0.967 427 R CB -0.260 29.656 30.300 -0.640 0.000 0.861 427 R HN 0.323 nan 8.270 nan 0.000 0.442 428 Y N 1.117 121.385 120.300 -0.054 0.000 2.578 428 Y HA 0.237 4.787 4.550 -0.000 0.000 0.317 428 Y C 0.664 176.555 175.900 -0.015 0.000 0.940 428 Y CA -1.021 57.039 58.100 -0.067 0.000 1.174 428 Y CB 0.493 38.860 38.460 -0.156 0.000 1.198 428 Y HN -0.020 nan 8.280 nan 0.000 0.597 429 K N -0.779 119.674 120.400 0.089 0.000 2.362 429 K HA -0.193 4.127 4.320 -0.000 0.000 0.202 429 K C 0.429 177.064 176.600 0.059 0.000 1.045 429 K CA 1.449 57.776 56.287 0.066 0.000 0.936 429 K CB 0.058 32.578 32.500 0.034 0.000 0.747 429 K HN 0.336 nan 8.250 nan 0.000 0.467 430 N N 1.133 119.872 118.700 0.065 0.000 2.245 430 N HA -0.060 4.680 4.740 -0.000 0.000 0.185 430 N C 0.484 176.011 175.510 0.029 0.000 1.036 430 N CA 0.598 53.671 53.050 0.039 0.000 0.857 430 N CB -0.317 38.190 38.487 0.034 0.000 1.015 430 N HN 0.100 nan 8.380 nan 0.000 0.436 431 V N 2.706 122.640 119.914 0.034 0.000 2.540 431 V HA 0.290 4.410 4.120 -0.000 0.000 0.297 431 V C 0.199 176.298 176.094 0.008 0.000 1.024 431 V CA -0.018 62.285 62.300 0.004 0.000 1.105 431 V CB -0.326 31.481 31.823 -0.027 0.000 0.938 431 V HN 0.376 nan 8.190 nan 0.000 0.482 432 K N 7.425 127.812 120.400 -0.022 0.000 2.227 432 K HA 0.610 4.930 4.320 -0.000 0.000 0.280 432 K C -0.532 176.042 176.600 -0.044 0.000 1.041 432 K CA -0.546 55.718 56.287 -0.039 0.000 0.905 432 K CB 0.725 33.177 32.500 -0.080 0.000 1.068 432 K HN 0.833 nan 8.250 nan 0.000 0.470 433 L N 4.646 125.850 121.223 -0.031 0.000 2.319 433 L HA 0.309 4.649 4.340 -0.000 0.000 0.280 433 L C -1.356 175.474 176.870 -0.068 0.000 1.099 433 L CA -1.805 53.017 54.840 -0.030 0.000 0.828 433 L CB 1.042 43.097 42.059 -0.007 0.000 1.150 433 L HN 0.721 nan 8.230 nan 0.000 0.442 434 P HA 0.045 nan 4.420 nan 0.000 0.271 434 P C -0.846 176.431 177.300 -0.039 0.000 1.218 434 P CA -0.411 62.650 63.100 -0.065 0.000 0.780 434 P CB 0.902 32.582 31.700 -0.033 0.000 0.901 435 D N 0.725 121.118 120.400 -0.012 0.000 2.399 435 D HA 0.223 4.863 4.640 -0.000 0.000 0.241 435 D C 1.531 177.894 176.300 0.104 0.000 1.133 435 D CA 0.078 54.120 54.000 0.070 0.000 0.890 435 D CB 0.857 41.765 40.800 0.181 0.000 1.201 435 D HN 0.362 nan 8.370 nan 0.000 0.432 436 A N 3.057 125.935 122.820 0.097 0.000 1.903 436 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 436 A C 1.865 179.478 177.584 0.047 0.000 1.191 436 A CA 1.598 53.645 52.037 0.017 0.000 0.638 436 A CB -1.302 17.687 19.000 -0.017 0.000 0.823 436 A HN 0.820 nan 8.150 nan 0.000 0.451 437 Y N 0.237 120.598 120.300 0.102 0.000 2.403 437 Y HA -0.158 4.392 4.550 -0.000 0.000 0.291 437 Y C 2.452 178.435 175.900 0.138 0.000 1.143 437 Y CA 1.498 59.678 58.100 0.133 0.000 1.257 437 Y CB -0.241 38.290 38.460 0.119 0.000 0.984 437 Y HN 0.486 nan 8.280 nan 0.000 0.550 438 E N -0.201 120.147 120.200 0.247 0.000 2.028 438 E HA -0.191 4.159 4.350 -0.000 0.000 0.190 438 E C 2.287 178.965 176.600 0.131 0.000 0.984 438 E CA 0.693 57.196 56.400 0.171 0.000 0.800 438 E CB -0.164 29.617 29.700 0.135 0.000 0.758 438 E HN 0.338 nan 8.360 nan 0.000 0.448 439 R N 0.842 121.404 120.500 0.103 0.000 2.081 439 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 439 R C 2.410 178.817 176.300 0.177 0.000 1.131 439 R CA 0.871 57.033 56.100 0.104 0.000 0.960 439 R CB -0.126 30.208 30.300 0.055 0.000 0.856 439 R HN 0.136 nan 8.270 nan 0.000 0.436 440 L N 0.236 121.553 121.223 0.157 0.000 1.976 440 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 440 L C 2.499 179.625 176.870 0.426 0.000 1.071 440 L CA 1.438 56.420 54.840 0.237 0.000 0.746 440 L CB -0.486 41.558 42.059 -0.025 0.000 0.890 440 L HN 0.254 nan 8.230 nan 0.000 0.432 441 I N -0.226 120.565 120.570 0.367 0.000 2.151 441 I HA -0.371 3.799 4.170 -0.000 0.000 0.243 441 I C 2.610 178.966 176.117 0.399 0.000 1.080 441 I CA 1.430 62.984 61.300 0.424 0.000 1.339 441 I CB -0.217 37.993 38.000 0.350 0.000 1.039 441 I HN 0.284 nan 8.210 nan 0.000 0.409 442 L N 0.586 121.948 121.223 0.232 0.000 2.042 442 L HA -0.312 4.028 4.340 -0.000 0.000 0.210 442 L C 2.031 179.040 176.870 0.232 0.000 1.076 442 L CA 1.909 56.835 54.840 0.142 0.000 0.749 442 L CB -0.430 41.661 42.059 0.053 0.000 0.893 442 L HN 0.262 nan 8.230 nan 0.000 0.432 443 D N -0.852 119.709 120.400 0.267 0.000 2.133 443 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 443 D C 2.160 178.550 176.300 0.150 0.000 0.997 443 D CA 1.563 55.713 54.000 0.250 0.000 0.840 443 D CB -0.085 40.981 40.800 0.443 0.000 0.947 443 D HN 0.191 nan 8.370 nan 0.000 0.452 444 V N 0.073 120.077 119.914 0.151 0.000 2.295 444 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 444 V C 2.000 177.937 176.094 -0.261 0.000 1.049 444 V CA 1.362 63.524 62.300 -0.230 0.000 1.024 444 V CB -0.666 31.006 31.823 -0.252 0.000 0.648 444 V HN 0.132 nan 8.190 nan 0.000 0.447 445 F N -0.089 119.793 119.950 -0.113 0.000 2.075 445 F HA -0.190 4.337 4.527 -0.000 0.000 0.297 445 F C 2.590 178.336 175.800 -0.088 0.000 1.113 445 F CA 1.995 59.978 58.000 -0.028 0.000 1.218 445 F CB -1.041 37.977 39.000 0.030 0.000 0.984 445 F HN 0.110 nan 8.300 nan 0.000 0.472 446 C N -0.157 119.233 119.300 0.150 0.000 2.422 446 C HA 0.157 4.617 4.460 -0.000 0.000 0.286 446 C C 1.921 176.881 174.990 -0.050 0.000 1.412 446 C CA 0.995 60.049 59.018 0.060 0.000 1.786 446 C CB -1.708 26.070 27.740 0.065 0.000 1.835 446 C HN 0.817 nan 8.230 nan 0.000 0.533 447 G N 0.783 109.500 108.800 -0.138 0.000 2.212 447 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.255 447 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.255 447 G C 0.111 174.964 174.900 -0.078 0.000 1.062 447 G CA 0.541 45.544 45.100 -0.161 0.000 0.815 447 G HN 0.616 nan 8.290 nan 0.000 0.497 448 S N -0.543 115.125 115.700 -0.053 0.000 2.474 448 S HA 0.491 4.961 4.470 -0.000 0.000 0.320 448 S C 1.208 175.693 174.600 -0.191 0.000 1.067 448 S CA -0.318 57.820 58.200 -0.103 0.000 1.127 448 S CB 0.855 64.009 63.200 -0.077 0.000 0.971 448 S HN 0.420 nan 8.310 nan 0.000 0.472 449 Q N 4.015 123.628 119.800 -0.312 0.000 2.444 449 Q HA 0.053 4.393 4.340 -0.000 0.000 0.206 449 Q C 1.708 177.629 176.000 -0.132 0.000 0.948 449 Q CA 0.150 55.671 55.803 -0.470 0.000 0.946 449 Q CB -0.030 28.362 28.738 -0.576 0.000 1.027 449 Q HN 0.805 nan 8.270 nan 0.000 0.513 450 M N 0.179 119.708 119.600 -0.119 0.000 2.195 450 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 450 M C 0.594 176.931 176.300 0.060 0.000 1.066 450 M CA 1.446 56.685 55.300 -0.102 0.000 1.089 450 M CB 0.171 32.619 32.600 -0.253 0.000 1.377 450 M HN 0.262 nan 8.290 nan 0.000 0.411 451 H N -1.080 118.155 119.070 0.274 0.000 2.537 451 H HA 0.268 4.824 4.556 -0.000 0.000 0.295 451 H C -1.077 174.305 175.328 0.090 0.000 1.054 451 H CA 0.026 56.182 56.048 0.180 0.000 1.156 451 H CB -0.433 29.400 29.762 0.118 0.000 1.468 451 H HN 0.150 nan 8.280 nan 0.000 0.551 452 F N -0.491 119.470 119.950 0.019 0.000 2.577 452 F HA 0.343 4.870 4.527 -0.000 0.000 0.318 452 F C 0.293 176.043 175.800 -0.084 0.000 1.065 452 F CA -1.406 56.568 58.000 -0.043 0.000 0.929 452 F CB 1.140 40.067 39.000 -0.122 0.000 1.237 452 F HN -0.330 nan 8.300 nan 0.000 0.468 453 V N 2.370 122.323 119.914 0.064 0.000 2.715 453 V HA 0.286 4.406 4.120 -0.000 0.000 0.299 453 V C 0.262 176.321 176.094 -0.059 0.000 1.054 453 V CA -0.477 61.806 62.300 -0.027 0.000 1.077 453 V CB 0.924 32.686 31.823 -0.102 0.000 0.972 453 V HN 0.688 nan 8.190 nan 0.000 0.484 454 R N 2.094 122.550 120.500 -0.074 0.000 2.668 454 R HA 0.349 4.689 4.340 -0.000 0.000 0.279 454 R C 1.611 177.860 176.300 -0.086 0.000 0.976 454 R CA 0.206 56.257 56.100 -0.082 0.000 0.978 454 R CB 1.546 31.804 30.300 -0.069 0.000 1.133 454 R HN 0.941 nan 8.270 nan 0.000 0.484 455 S N 1.901 117.558 115.700 -0.071 0.000 2.378 455 S HA -0.292 4.178 4.470 -0.000 0.000 0.229 455 S C 1.296 175.877 174.600 -0.032 0.000 1.052 455 S CA 1.974 60.145 58.200 -0.049 0.000 1.084 455 S CB -0.599 62.584 63.200 -0.030 0.000 0.950 455 S HN 0.869 nan 8.310 nan 0.000 0.440 456 D N 1.529 121.912 120.400 -0.028 0.000 2.178 456 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 456 D C 1.732 178.019 176.300 -0.022 0.000 0.980 456 D CA 1.411 55.403 54.000 -0.014 0.000 0.842 456 D CB -0.739 40.052 40.800 -0.015 0.000 0.948 456 D HN 0.671 nan 8.370 nan 0.000 0.472 457 E N 0.239 120.411 120.200 -0.048 0.000 2.051 457 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 457 E C 2.404 178.952 176.600 -0.087 0.000 0.991 457 E CA 0.603 56.968 56.400 -0.058 0.000 0.799 457 E CB -0.115 29.546 29.700 -0.066 0.000 0.748 457 E HN 0.326 nan 8.360 nan 0.000 0.449 458 L N 0.518 121.643 121.223 -0.163 0.000 2.012 458 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 458 L C 2.604 179.425 176.870 -0.081 0.000 1.073 458 L CA 0.503 55.148 54.840 -0.326 0.000 0.748 458 L CB -0.474 41.337 42.059 -0.413 0.000 0.891 458 L HN 0.187 nan 8.230 nan 0.000 0.431 459 L N 0.115 121.384 121.223 0.077 0.000 1.997 459 L HA -0.260 4.080 4.340 -0.000 0.000 0.216 459 L C 2.715 179.682 176.870 0.162 0.000 1.074 459 L CA 1.896 56.853 54.840 0.195 0.000 0.763 459 L CB -0.701 41.425 42.059 0.110 0.000 0.890 459 L HN 0.241 nan 8.230 nan 0.000 0.434 460 E N -0.473 119.766 120.200 0.065 0.000 2.153 460 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 460 E C 2.182 178.799 176.600 0.028 0.000 0.988 460 E CA 1.205 57.624 56.400 0.032 0.000 0.811 460 E CB -0.518 29.177 29.700 -0.008 0.000 0.746 460 E HN 0.616 nan 8.360 nan 0.000 0.466 461 A N 1.284 124.118 122.820 0.024 0.000 1.865 461 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 461 A C 2.022 179.674 177.584 0.115 0.000 1.191 461 A CA 1.190 53.249 52.037 0.037 0.000 0.623 461 A CB -0.961 18.063 19.000 0.041 0.000 0.826 461 A HN 0.298 nan 8.150 nan 0.000 0.444 462 W N -0.195 121.236 121.300 0.217 0.000 2.402 462 W HA -0.031 4.629 4.660 0.000 0.000 0.286 462 W C 2.478 179.051 176.519 0.089 0.000 1.221 462 W CA 1.134 58.586 57.345 0.179 0.000 1.257 462 W CB -0.503 29.049 29.460 0.153 0.000 1.120 462 W HN 0.350 nan 8.180 nan 0.000 0.551 463 R N 1.276 121.928 120.500 0.253 0.000 2.091 463 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 463 R C 1.850 178.166 176.300 0.027 0.000 1.136 463 R CA 1.572 57.741 56.100 0.116 0.000 0.959 463 R CB -0.886 29.451 30.300 0.062 0.000 0.856 463 R HN 0.245 nan 8.270 nan 0.000 0.437 464 I N -0.600 119.931 120.570 -0.064 0.000 2.233 464 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 464 I C 1.856 177.776 176.117 -0.330 0.000 1.093 464 I CA 1.101 62.231 61.300 -0.284 0.000 1.380 464 I CB -0.339 37.336 38.000 -0.541 0.000 1.067 464 I HN -0.012 nan 8.210 nan 0.000 0.413 465 F N 1.007 120.970 119.950 0.022 0.000 2.387 465 F HA -0.100 4.427 4.527 -0.000 0.000 0.294 465 F C 2.875 178.720 175.800 0.075 0.000 1.093 465 F CA 1.355 59.367 58.000 0.021 0.000 1.420 465 F CB -1.246 37.740 39.000 -0.023 0.000 1.086 465 F HN 0.103 nan 8.300 nan 0.000 0.531 466 T N -1.314 113.421 114.554 0.302 0.000 2.653 466 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 466 T C -0.336 174.468 174.700 0.174 0.000 1.035 466 T CA 1.378 63.616 62.100 0.230 0.000 1.154 466 T CB -1.908 67.070 68.868 0.183 0.000 0.862 466 T HN 0.095 nan 8.240 nan 0.000 0.441 467 P HA -0.049 nan 4.420 nan 0.000 0.215 467 P C 1.832 179.220 177.300 0.147 0.000 1.157 467 P CA 0.727 63.899 63.100 0.121 0.000 0.874 467 P CB -0.277 31.459 31.700 0.061 0.000 0.790 468 L N -0.857 120.435 121.223 0.115 0.000 1.976 468 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 468 L C 2.261 179.184 176.870 0.087 0.000 1.071 468 L CA 1.801 56.697 54.840 0.093 0.000 0.746 468 L CB -1.468 40.659 42.059 0.113 0.000 0.890 468 L HN -0.143 nan 8.230 nan 0.000 0.432 469 L N -0.635 120.662 121.223 0.124 0.000 2.089 469 L HA -0.324 4.016 4.340 -0.000 0.000 0.213 469 L C 2.667 179.581 176.870 0.073 0.000 1.079 469 L CA 1.786 56.680 54.840 0.089 0.000 0.758 469 L CB -0.955 41.178 42.059 0.123 0.000 0.891 469 L HN 0.592 nan 8.230 nan 0.000 0.433 470 H N -0.061 119.031 119.070 0.037 0.000 2.270 470 H HA -0.241 4.315 4.556 -0.000 0.000 0.299 470 H C 2.309 177.645 175.328 0.013 0.000 1.077 470 H CA 2.141 58.201 56.048 0.019 0.000 1.294 470 H CB -0.308 29.465 29.762 0.017 0.000 1.371 470 H HN 0.253 nan 8.280 nan 0.000 0.491 471 Q N 0.080 119.681 119.800 -0.331 0.000 2.133 471 Q HA -0.188 4.152 4.340 -0.000 0.000 0.208 471 Q C 2.335 178.204 176.000 -0.218 0.000 0.991 471 Q CA 2.475 58.083 55.803 -0.324 0.000 0.867 471 Q CB -0.219 28.469 28.738 -0.082 0.000 0.911 471 Q HN 0.695 nan 8.270 nan 0.000 0.417 472 I N 0.124 120.621 120.570 -0.123 0.000 2.202 472 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 472 I C 2.318 178.381 176.117 -0.089 0.000 1.091 472 I CA 1.435 62.688 61.300 -0.078 0.000 1.368 472 I CB -0.285 37.691 38.000 -0.040 0.000 1.058 472 I HN 0.298 nan 8.210 nan 0.000 0.410 473 E N 0.452 120.593 120.200 -0.099 0.000 2.338 473 E HA -0.205 4.145 4.350 -0.000 0.000 0.197 473 E C 1.927 178.468 176.600 -0.098 0.000 1.007 473 E CA 0.517 56.871 56.400 -0.077 0.000 0.849 473 E CB 0.223 29.897 29.700 -0.043 0.000 0.774 473 E HN 0.294 nan 8.360 nan 0.000 0.506 474 L N 0.583 121.698 121.223 -0.181 0.000 2.116 474 L HA 0.003 4.343 4.340 -0.000 0.000 0.200 474 L C 1.459 178.270 176.870 -0.099 0.000 1.084 474 L CA 1.625 56.367 54.840 -0.165 0.000 0.766 474 L CB 0.024 41.892 42.059 -0.318 0.000 0.930 474 L HN -0.060 nan 8.230 nan 0.000 0.453 475 E N -0.200 119.938 120.200 -0.104 0.000 2.502 475 E HA -0.062 4.288 4.350 -0.000 0.000 0.194 475 E C -0.265 176.311 176.600 -0.040 0.000 1.062 475 E CA -0.055 56.310 56.400 -0.059 0.000 0.867 475 E CB 0.044 29.712 29.700 -0.054 0.000 0.888 475 E HN 0.272 nan 8.360 nan 0.000 0.510 476 K N 1.323 121.697 120.400 -0.044 0.000 4.116 476 K HA -0.172 4.148 4.320 -0.000 0.000 0.277 476 K C -2.548 174.045 176.600 -0.011 0.000 0.835 476 K CA -0.080 56.192 56.287 -0.025 0.000 0.740 476 K CB -1.103 31.385 32.500 -0.019 0.000 1.714 476 K HN 0.169 nan 8.250 nan 0.000 0.433 477 P HA -0.027 nan 4.420 nan 0.000 0.271 477 P C -0.428 176.882 177.300 0.016 0.000 1.216 477 P CA -0.270 62.832 63.100 0.003 0.000 0.776 477 P CB 0.692 32.393 31.700 0.003 0.000 0.881 478 K N 4.158 124.571 120.400 0.021 0.000 2.312 478 K HA 0.266 4.586 4.320 -0.000 0.000 0.287 478 K C -2.254 174.373 176.600 0.044 0.000 1.062 478 K CA -1.652 54.653 56.287 0.031 0.000 0.934 478 K CB 0.009 32.524 32.500 0.026 0.000 1.027 478 K HN 0.305 nan 8.250 nan 0.000 0.478 479 P HA 0.086 nan 4.420 nan 0.000 0.272 479 P C -0.434 176.918 177.300 0.087 0.000 1.223 479 P CA -0.141 63.011 63.100 0.087 0.000 0.784 479 P CB 0.523 32.288 31.700 0.110 0.000 0.923 480 I N 4.242 124.873 120.570 0.101 0.000 2.517 480 I HA 0.105 4.275 4.170 -0.000 0.000 0.285 480 I C -1.998 174.194 176.117 0.125 0.000 1.106 480 I CA -1.791 59.561 61.300 0.087 0.000 1.402 480 I CB 0.431 38.470 38.000 0.065 0.000 1.399 480 I HN 0.163 nan 8.210 nan 0.000 0.535 481 P HA 0.120 nan 4.420 nan 0.000 0.276 481 P C -1.489 175.868 177.300 0.095 0.000 1.230 481 P CA 0.067 63.193 63.100 0.043 0.000 0.776 481 P CB 0.354 32.057 31.700 0.006 0.000 0.888 482 Y N 1.638 121.929 120.300 -0.014 0.000 2.386 482 Y HA 0.519 5.069 4.550 0.000 0.000 0.334 482 Y C -0.366 175.554 175.900 0.034 0.000 1.002 482 Y CA -1.902 56.173 58.100 -0.042 0.000 1.068 482 Y CB 0.662 39.027 38.460 -0.157 0.000 1.203 482 Y HN 0.278 nan 8.280 nan 0.000 0.443 483 I N 4.962 125.585 120.570 0.089 0.000 2.775 483 I HA 0.006 4.176 4.170 -0.000 0.000 0.290 483 I C -0.302 175.922 176.117 0.179 0.000 1.203 483 I CA -0.079 61.278 61.300 0.095 0.000 1.433 483 I CB 0.362 38.420 38.000 0.097 0.000 1.354 483 I HN 0.907 nan 8.210 nan 0.000 0.579 484 Y N 7.546 127.884 120.300 0.063 0.000 2.805 484 Y HA 0.235 4.785 4.550 -0.000 0.000 0.331 484 Y C 1.163 177.112 175.900 0.082 0.000 1.241 484 Y CA 0.953 59.116 58.100 0.105 0.000 1.546 484 Y CB 0.231 38.784 38.460 0.156 0.000 1.248 484 Y HN 0.843 nan 8.280 nan 0.000 0.559 485 G N 2.915 111.868 108.800 0.254 0.000 2.194 485 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.236 485 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.236 485 G C 0.316 175.283 174.900 0.112 0.000 0.987 485 G CA 0.324 45.551 45.100 0.212 0.000 0.635 485 G HN 1.126 nan 8.290 nan 0.000 0.520 486 S N -0.799 114.970 115.700 0.115 0.000 2.666 486 S HA 0.663 5.133 4.470 -0.000 0.000 0.279 486 S C 1.080 175.669 174.600 -0.019 0.000 1.149 486 S CA -0.013 58.221 58.200 0.056 0.000 1.020 486 S CB 1.219 64.463 63.200 0.074 0.000 1.127 486 S HN 0.259 nan 8.310 nan 0.000 0.537 487 R N 0.038 120.492 120.500 -0.077 0.000 2.310 487 R HA 0.341 4.681 4.340 -0.000 0.000 0.202 487 R C 1.005 177.120 176.300 -0.308 0.000 0.933 487 R CA 0.559 56.574 56.100 -0.143 0.000 1.054 487 R CB -0.373 29.858 30.300 -0.116 0.000 0.985 487 R HN 0.962 nan 8.270 nan 0.000 0.489 488 G N 1.260 109.815 108.800 -0.410 0.000 2.592 488 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.684 488 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.684 488 G C -2.733 171.813 174.900 -0.590 0.000 1.291 488 G CA -1.346 43.207 45.100 -0.911 0.000 0.891 488 G HN -0.068 nan 8.290 nan 0.000 0.544 489 P HA 0.202 nan 4.420 nan 0.000 0.261 489 P C 1.302 178.476 177.300 -0.211 0.000 1.183 489 P CA 0.749 63.660 63.100 -0.315 0.000 0.761 489 P CB 0.450 31.976 31.700 -0.289 0.000 0.785 490 T N 1.387 115.875 114.554 -0.109 0.000 2.803 490 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 490 T C 1.305 175.981 174.700 -0.039 0.000 1.052 490 T CA 1.391 63.452 62.100 -0.066 0.000 1.136 490 T CB -0.433 68.416 68.868 -0.031 0.000 0.864 490 T HN 0.447 nan 8.240 nan 0.000 0.467 491 E N 1.690 121.873 120.200 -0.029 0.000 2.130 491 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 491 E C 2.404 179.016 176.600 0.019 0.000 0.998 491 E CA 1.244 57.645 56.400 0.002 0.000 0.806 491 E CB -0.673 29.035 29.700 0.013 0.000 0.738 491 E HN 0.589 nan 8.360 nan 0.000 0.459 492 A N 1.214 124.048 122.820 0.022 0.000 1.877 492 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 492 A C 1.699 179.304 177.584 0.034 0.000 1.186 492 A CA 1.906 53.989 52.037 0.076 0.000 0.620 492 A CB -0.531 18.591 19.000 0.203 0.000 0.822 492 A HN 0.127 nan 8.150 nan 0.000 0.443 493 D N -0.202 120.200 120.400 0.004 0.000 2.117 493 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 493 D C 1.879 178.207 176.300 0.046 0.000 0.987 493 D CA 1.439 55.445 54.000 0.010 0.000 0.829 493 D CB -0.473 40.314 40.800 -0.022 0.000 0.961 493 D HN 0.662 nan 8.370 nan 0.000 0.460 494 E N 0.371 120.592 120.200 0.034 0.000 2.153 494 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 494 E C 2.195 178.826 176.600 0.051 0.000 0.988 494 E CA 0.125 56.552 56.400 0.044 0.000 0.811 494 E CB 0.016 29.734 29.700 0.031 0.000 0.746 494 E HN 0.254 nan 8.360 nan 0.000 0.466 495 L N 0.465 121.714 121.223 0.044 0.000 1.988 495 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 495 L C 2.410 179.314 176.870 0.056 0.000 1.071 495 L CA 1.243 56.108 54.840 0.041 0.000 0.744 495 L CB -0.139 41.936 42.059 0.027 0.000 0.893 495 L HN 0.242 nan 8.230 nan 0.000 0.433 496 M N -0.327 119.306 119.600 0.055 0.000 2.089 496 M HA -0.339 4.141 4.480 -0.000 0.000 0.257 496 M C 2.327 178.736 176.300 0.182 0.000 1.071 496 M CA 2.139 57.489 55.300 0.084 0.000 1.096 496 M CB -0.603 32.020 32.600 0.038 0.000 1.330 496 M HN 0.224 nan 8.290 nan 0.000 0.403 497 K N 0.497 121.002 120.400 0.176 0.000 2.026 497 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 497 K C 2.191 178.852 176.600 0.102 0.000 1.048 497 K CA 1.550 57.925 56.287 0.147 0.000 0.929 497 K CB -0.219 32.346 32.500 0.108 0.000 0.713 497 K HN 0.182 nan 8.250 nan 0.000 0.439 498 R N 0.450 121.000 120.500 0.083 0.000 2.103 498 R HA -0.128 4.212 4.340 -0.000 0.000 0.242 498 R C 1.973 178.320 176.300 0.079 0.000 1.142 498 R CA 1.614 57.755 56.100 0.069 0.000 0.960 498 R CB -0.337 29.998 30.300 0.058 0.000 0.858 498 R HN 0.217 nan 8.270 nan 0.000 0.439 499 V N -0.314 119.656 119.914 0.094 0.000 3.510 499 V HA 0.108 4.228 4.120 -0.000 0.000 0.270 499 V C 1.113 177.270 176.094 0.104 0.000 1.201 499 V CA 1.576 63.944 62.300 0.113 0.000 1.166 499 V CB 0.544 32.442 31.823 0.126 0.000 0.825 499 V HN 0.762 nan 8.190 nan 0.000 0.484 500 G N -0.695 108.165 108.800 0.100 0.000 2.705 500 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.193 500 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.193 500 G C 0.050 175.007 174.900 0.095 0.000 1.015 500 G CA 0.004 45.153 45.100 0.080 0.000 0.743 500 G HN 0.353 nan 8.290 nan 0.000 0.476 501 F N 3.549 123.483 119.950 -0.027 0.000 2.578 501 F HA 0.567 5.094 4.527 0.000 0.000 0.381 501 F C 0.545 176.350 175.800 0.009 0.000 1.069 501 F CA 0.248 58.230 58.000 -0.031 0.000 1.231 501 F CB 0.656 39.636 39.000 -0.033 0.000 1.086 501 F HN 0.175 nan 8.300 nan 0.000 0.564 502 Q N 6.303 125.700 119.800 -0.672 0.000 2.333 502 Q HA 0.202 4.542 4.340 -0.000 0.000 0.265 502 Q C -1.696 173.832 176.000 -0.787 0.000 0.989 502 Q CA -0.796 54.698 55.803 -0.516 0.000 0.842 502 Q CB 2.102 30.666 28.738 -0.290 0.000 1.262 502 Q HN 0.701 nan 8.270 nan 0.000 0.451 503 Y N 1.808 121.771 120.300 -0.561 0.000 2.352 503 Y HA 0.424 4.974 4.550 0.000 0.000 0.339 503 Y C -1.017 174.787 175.900 -0.160 0.000 0.992 503 Y CA -0.810 57.074 58.100 -0.360 0.000 1.100 503 Y CB 1.496 39.905 38.460 -0.086 0.000 1.192 503 Y HN 0.534 nan 8.280 nan 0.000 0.458 504 E N 3.064 122.784 120.200 -0.800 0.000 2.255 504 E HA 0.377 4.727 4.350 -0.000 0.000 0.256 504 E C 0.305 176.443 176.600 -0.770 0.000 0.887 504 E CA -0.166 55.878 56.400 -0.594 0.000 0.782 504 E CB 1.135 30.655 29.700 -0.299 0.000 1.214 504 E HN 0.869 nan 8.360 nan 0.000 0.417 505 G N 3.070 111.446 108.800 -0.706 0.000 2.916 505 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.205 505 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.205 505 G C 0.427 175.255 174.900 -0.119 0.000 1.163 505 G CA 0.699 45.582 45.100 -0.361 0.000 0.821 505 G HN 0.489 nan 8.290 nan 0.000 0.515 506 T N -1.781 112.701 114.554 -0.120 0.000 3.364 506 T HA 0.447 4.797 4.350 -0.000 0.000 0.323 506 T C -0.974 173.777 174.700 0.085 0.000 1.323 506 T CA -0.802 61.284 62.100 -0.024 0.000 1.073 506 T CB 0.163 69.006 68.868 -0.042 0.000 1.150 506 T HN 0.162 nan 8.240 nan 0.000 0.727 507 Y N 2.917 123.190 120.300 -0.045 0.000 2.274 507 Y HA 0.409 4.959 4.550 -0.000 0.000 0.323 507 Y C -1.276 174.653 175.900 0.048 0.000 1.171 507 Y CA -2.175 55.925 58.100 -0.000 0.000 1.163 507 Y CB 1.160 39.624 38.460 0.007 0.000 1.183 507 Y HN 0.606 nan 8.280 nan 0.000 0.424 508 K N 3.313 123.571 120.400 -0.237 0.000 2.130 508 K HA 0.653 4.973 4.320 -0.000 0.000 0.268 508 K C -1.556 174.808 176.600 -0.394 0.000 0.983 508 K CA -0.474 55.653 56.287 -0.267 0.000 0.893 508 K CB 1.737 34.160 32.500 -0.128 0.000 1.066 508 K HN 0.510 nan 8.250 nan 0.000 0.450 509 W N 3.596 124.624 121.300 -0.454 0.000 2.957 509 W HA 0.538 5.198 4.660 0.000 0.000 0.336 509 W C -1.560 174.839 176.519 -0.201 0.000 1.087 509 W CA -0.755 56.366 57.345 -0.374 0.000 1.235 509 W CB 1.662 30.864 29.460 -0.429 0.000 1.399 509 W HN 0.684 nan 8.180 nan 0.000 0.480 510 V N 3.218 122.399 119.914 -1.221 0.000 3.155 510 V HA 0.605 4.725 4.120 -0.000 0.000 0.313 510 V C -0.457 174.670 176.094 -1.612 0.000 1.162 510 V CA -1.054 60.616 62.300 -1.050 0.000 1.048 510 V CB 1.593 33.092 31.823 -0.540 0.000 1.092 510 V HN 0.735 nan 8.190 nan 0.000 0.447 511 N N 0.000 118.130 118.700 -0.950 0.000 1.763 511 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 511 N CA 0.000 52.662 53.050 -0.647 0.000 0.885 511 N CB 0.000 38.299 38.487 -0.313 0.000 1.341 511 N HN 0.000 nan 8.380 nan 0.000 0.667