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 2gsy_1_S DATA FIRST_RESID 8 DATA SEQUENCE TQQIVPFIRS LLMPTTGPAS IPDDTLEKHT LRSETSTYNL TVGDTGSGLI DATA SEQUENCE VFFPGFPGSI VGAHYTLQGN GNYKFDQMLL TAQNLPASYN YCRLVSRSLT DATA SEQUENCE VRSSTLPXXX XXLNGTINAV TFQGSLSELT DVSYNGLMSA TANINDKIGN DATA SEQUENCE VLVGEGVTVL SLPTSYDLGY VRLGDPIPAI GLDPKMVATC DSSDRPRVYT DATA SEQUENCE ITAADDYQFS SQYQPGGVTI TLFSANIDAI TSLSVGGELV FRTSVHGLVL DATA SEQUENCE GATIYLIGFD GTTVITRAVA ANNGLTTGTD NLMPFNLVIP TNEITQPITS DATA SEQUENCE IKLEIVTSKS GGQAGDQMSW SARGSLAVTI HGGNYPGALR PVTLVAYERV DATA SEQUENCE ATGSVVTVAG VSNFELIPNP ELAKNLVTEY GRFDPGAMNY TKLILSERDR DATA SEQUENCE LGIKTVWPTR EYTDFREYFM EVADLNSPLK IAG 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 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.624 174.700 -0.127 0.000 1.109 8 T CA 0.000 62.014 62.100 -0.143 0.000 1.349 8 T CB 0.000 68.835 68.868 -0.055 0.000 0.612 9 Q N 0.445 120.152 119.800 -0.156 0.000 2.285 9 Q HA 0.865 5.205 4.340 -0.000 0.000 0.269 9 Q C 0.637 176.566 176.000 -0.118 0.000 1.030 9 Q CA 0.686 56.420 55.803 -0.116 0.000 0.788 9 Q CB 0.723 29.404 28.738 -0.095 0.000 1.266 9 Q HN 2.526 nan 8.270 nan 0.000 0.438 10 Q N 0.473 120.212 119.800 -0.103 0.000 2.363 10 Q HA -0.277 4.063 4.340 -0.000 0.000 0.409 10 Q C 1.123 177.045 176.000 -0.129 0.000 1.118 10 Q CA 4.440 60.181 55.803 -0.103 0.000 0.966 10 Q CB -2.631 26.058 28.738 -0.082 0.000 1.795 10 Q HN 2.316 nan 8.270 nan 0.000 0.941 11 I N -6.350 114.149 120.570 -0.119 0.000 3.519 11 I HA 0.731 4.901 4.170 -0.000 0.000 0.314 11 I C -0.595 175.452 176.117 -0.117 0.000 1.273 11 I CA -0.590 60.631 61.300 -0.131 0.000 1.108 11 I CB 1.736 39.666 38.000 -0.117 0.000 1.212 11 I HN 0.658 nan 8.210 nan 0.000 0.420 12 V N 1.740 121.615 119.914 -0.066 0.000 2.419 12 V HA 0.292 4.412 4.120 -0.000 0.000 0.287 12 V C -1.862 174.266 176.094 0.057 0.000 1.017 12 V CA -1.103 61.177 62.300 -0.032 0.000 0.844 12 V CB 1.075 32.856 31.823 -0.070 0.000 1.011 12 V HN 0.537 nan 8.190 nan 0.000 0.429 13 P HA -0.255 nan 4.420 nan 0.000 0.219 13 P C 1.584 178.959 177.300 0.124 0.000 1.158 13 P CA 1.677 64.825 63.100 0.080 0.000 0.895 13 P CB 0.115 31.864 31.700 0.080 0.000 0.792 14 F N -0.333 119.634 119.950 0.028 0.000 2.102 14 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 14 F C 2.045 177.885 175.800 0.067 0.000 1.105 14 F CA 1.297 59.315 58.000 0.030 0.000 1.239 14 F CB -0.732 38.262 39.000 -0.011 0.000 0.991 14 F HN -0.235 nan 8.300 nan 0.000 0.474 15 I N 0.647 121.226 120.570 0.014 0.000 2.208 15 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 15 I C 2.583 178.690 176.117 -0.017 0.000 1.097 15 I CA 1.416 62.710 61.300 -0.010 0.000 1.363 15 I CB -1.311 36.847 38.000 0.263 0.000 1.051 15 I HN 0.212 nan 8.210 nan 0.000 0.413 16 R N 0.269 120.834 120.500 0.108 0.000 2.083 16 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 16 R C 2.600 178.915 176.300 0.025 0.000 1.137 16 R CA 2.140 58.334 56.100 0.155 0.000 0.951 16 R CB -0.244 30.126 30.300 0.116 0.000 0.851 16 R HN 0.227 nan 8.270 nan 0.000 0.434 17 S N 0.112 115.770 115.700 -0.069 0.000 2.368 17 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 17 S C 1.856 176.343 174.600 -0.188 0.000 1.030 17 S CA 1.192 59.329 58.200 -0.106 0.000 0.999 17 S CB -0.263 62.883 63.200 -0.089 0.000 0.844 17 S HN 0.355 nan 8.310 nan 0.000 0.459 18 L N 1.287 122.277 121.223 -0.388 0.000 2.017 18 L HA 0.125 4.465 4.340 -0.000 0.000 0.208 18 L C 1.972 178.766 176.870 -0.126 0.000 1.073 18 L CA 1.808 56.438 54.840 -0.350 0.000 0.745 18 L CB -0.450 41.277 42.059 -0.554 0.000 0.894 18 L HN 0.377 nan 8.230 nan 0.000 0.432 19 L N -1.539 119.631 121.223 -0.088 0.000 2.375 19 L HA 0.083 4.423 4.340 -0.000 0.000 0.215 19 L C 0.680 177.634 176.870 0.140 0.000 1.108 19 L CA 0.309 55.165 54.840 0.026 0.000 0.830 19 L CB 0.002 41.992 42.059 -0.117 0.000 0.959 19 L HN 0.236 nan 8.230 nan 0.000 0.457 20 M N -0.524 119.134 119.600 0.096 0.000 2.389 20 M HA 0.240 4.720 4.480 -0.000 0.000 0.206 20 M C -1.980 174.360 176.300 0.066 0.000 0.976 20 M CA -1.280 54.102 55.300 0.136 0.000 0.648 20 M CB 1.560 34.234 32.600 0.124 0.000 1.474 20 M HN -0.264 nan 8.290 nan 0.000 0.398 21 P HA -0.156 nan 4.420 nan 0.000 0.219 21 P C 1.369 178.669 177.300 0.000 0.000 1.146 21 P CA 1.461 64.552 63.100 -0.014 0.000 0.808 21 P CB -0.173 31.497 31.700 -0.049 0.000 0.779 22 T N -5.724 108.843 114.554 0.022 0.000 3.025 22 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 22 T C 1.699 176.414 174.700 0.024 0.000 1.126 22 T CA 1.397 63.510 62.100 0.022 0.000 1.105 22 T CB -1.424 67.464 68.868 0.034 0.000 0.884 22 T HN 0.015 nan 8.240 nan 0.000 0.522 23 T N 0.838 115.408 114.554 0.027 0.000 3.023 23 T HA 0.456 4.806 4.350 -0.000 0.000 0.266 23 T C 0.919 175.633 174.700 0.023 0.000 1.093 23 T CA 1.041 63.155 62.100 0.024 0.000 1.129 23 T CB -0.646 68.239 68.868 0.030 0.000 0.899 23 T HN 0.988 nan 8.240 nan 0.000 0.491 24 G N 1.336 110.149 108.800 0.021 0.000 2.371 24 G HA2 0.085 4.045 3.960 -0.000 0.000 0.663 24 G HA3 0.085 4.045 3.960 -0.000 0.000 0.663 24 G C -3.340 171.578 174.900 0.030 0.000 1.311 24 G CA -0.984 44.134 45.100 0.030 0.000 0.985 24 G HN 0.064 nan 8.290 nan 0.000 0.566 25 P HA 0.714 nan 4.420 nan 0.000 0.283 25 P C -0.439 176.922 177.300 0.101 0.000 1.271 25 P CA 0.187 63.327 63.100 0.067 0.000 0.841 25 P CB 1.972 33.725 31.700 0.088 0.000 1.122 26 A N 0.574 123.485 122.820 0.150 0.000 2.587 26 A HA 0.607 4.927 4.320 -0.000 0.000 0.293 26 A C -0.514 177.225 177.584 0.258 0.000 1.087 26 A CA -0.547 51.611 52.037 0.203 0.000 0.692 26 A CB 0.737 19.872 19.000 0.225 0.000 1.291 26 A HN 0.384 nan 8.150 nan 0.000 0.407 27 S N 0.725 116.564 115.700 0.230 0.000 2.549 27 S HA 0.361 4.831 4.470 -0.000 0.000 0.279 27 S C 0.285 174.872 174.600 -0.022 0.000 1.321 27 S CA -0.158 58.149 58.200 0.179 0.000 1.054 27 S CB 0.067 63.435 63.200 0.280 0.000 0.899 27 S HN 0.459 nan 8.310 nan 0.000 0.497 28 I N 4.969 125.413 120.570 -0.210 0.000 2.598 28 I HA 0.104 4.274 4.170 -0.000 0.000 0.284 28 I C -1.556 174.228 176.117 -0.556 0.000 1.140 28 I CA -1.382 59.499 61.300 -0.698 0.000 1.420 28 I CB 0.376 38.075 38.000 -0.502 0.000 1.387 28 I HN 0.426 nan 8.210 nan 0.000 0.553 29 P HA 0.109 nan 4.420 nan 0.000 0.214 29 P C -1.048 176.087 177.300 -0.275 0.000 1.807 29 P CA -0.269 62.616 63.100 -0.358 0.000 0.921 29 P CB -0.402 31.109 31.700 -0.315 0.000 1.835 30 D N -1.001 119.252 120.400 -0.245 0.000 2.541 30 D HA 0.121 4.761 4.640 -0.000 0.000 0.276 30 D C 0.446 176.726 176.300 -0.034 0.000 1.190 30 D CA -0.368 53.556 54.000 -0.126 0.000 1.095 30 D CB -0.016 40.722 40.800 -0.103 0.000 1.173 30 D HN -0.172 nan 8.370 nan 0.000 0.604 31 D N -1.335 119.065 120.400 0.001 0.000 2.369 31 D HA 0.042 4.682 4.640 -0.000 0.000 0.211 31 D C -0.020 176.307 176.300 0.046 0.000 1.077 31 D CA 0.309 54.322 54.000 0.022 0.000 0.842 31 D CB 0.084 40.896 40.800 0.019 0.000 0.947 31 D HN 0.272 nan 8.370 nan 0.000 0.509 32 T N 2.103 116.695 114.554 0.063 0.000 4.104 32 T HA 0.182 4.532 4.350 -0.000 0.000 0.285 32 T C 0.900 175.703 174.700 0.171 0.000 1.346 32 T CA -0.102 62.069 62.100 0.119 0.000 1.158 32 T CB -0.319 68.631 68.868 0.135 0.000 1.290 32 T HN 0.033 nan 8.240 nan 0.000 0.975 33 L N 3.377 124.691 121.223 0.153 0.000 2.404 33 L HA 0.256 4.596 4.340 -0.000 0.000 0.277 33 L C 0.771 177.850 176.870 0.348 0.000 1.184 33 L CA 0.044 55.026 54.840 0.235 0.000 1.013 33 L CB -0.090 42.023 42.059 0.090 0.000 1.318 33 L HN 0.378 nan 8.230 nan 0.000 0.435 34 E N 2.916 123.308 120.200 0.320 0.000 2.207 34 E HA 0.315 4.665 4.350 -0.000 0.000 0.270 34 E C -0.600 176.020 176.600 0.033 0.000 0.927 34 E CA -0.955 55.502 56.400 0.095 0.000 0.799 34 E CB 2.427 31.962 29.700 -0.276 0.000 1.172 34 E HN 0.317 nan 8.360 nan 0.000 0.404 35 K N 3.483 123.648 120.400 -0.391 0.000 2.402 35 K HA 0.047 4.367 4.320 -0.000 0.000 0.285 35 K C 0.218 176.735 176.600 -0.138 0.000 1.054 35 K CA 0.321 56.322 56.287 -0.475 0.000 1.001 35 K CB 0.125 32.296 32.500 -0.548 0.000 0.946 35 K HN 0.521 nan 8.250 nan 0.000 0.473 36 H N -0.223 118.784 119.070 -0.105 0.000 2.943 36 H HA 0.480 5.036 4.556 -0.000 0.000 0.323 36 H C -1.089 174.272 175.328 0.054 0.000 1.296 36 H CA -0.800 55.260 56.048 0.020 0.000 1.155 36 H CB 1.933 31.799 29.762 0.173 0.000 1.882 36 H HN 0.396 nan 8.280 nan 0.000 0.553 37 T N 0.637 115.304 114.554 0.189 0.000 2.906 37 T HA 0.540 4.890 4.350 -0.000 0.000 0.295 37 T C -0.870 173.968 174.700 0.230 0.000 1.061 37 T CA -0.739 61.434 62.100 0.121 0.000 1.000 37 T CB 1.087 70.033 68.868 0.129 0.000 1.103 37 T HN 0.412 nan 8.240 nan 0.000 0.486 38 L N 3.562 124.890 121.223 0.175 0.000 2.296 38 L HA 0.736 5.076 4.340 -0.000 0.000 0.286 38 L C 0.029 176.980 176.870 0.135 0.000 1.023 38 L CA -0.744 54.209 54.840 0.188 0.000 0.812 38 L CB 1.565 43.731 42.059 0.178 0.000 1.223 38 L HN 0.500 nan 8.230 nan 0.000 0.421 39 R N 0.925 121.510 120.500 0.142 0.000 2.771 39 R HA 0.602 4.942 4.340 -0.000 0.000 0.274 39 R C -1.274 175.140 176.300 0.189 0.000 0.987 39 R CA -0.474 55.710 56.100 0.140 0.000 0.908 39 R CB 2.489 32.840 30.300 0.084 0.000 1.213 39 R HN 0.511 nan 8.270 nan 0.000 0.468 40 S N 1.199 116.994 115.700 0.158 0.000 2.472 40 S HA 0.494 4.964 4.470 -0.000 0.000 0.303 40 S C -1.107 173.607 174.600 0.189 0.000 1.099 40 S CA -0.840 57.451 58.200 0.151 0.000 1.077 40 S CB 1.445 64.697 63.200 0.088 0.000 1.031 40 S HN 0.314 nan 8.310 nan 0.000 0.487 41 E N 2.360 122.704 120.200 0.239 0.000 2.224 41 E HA 0.334 4.684 4.350 -0.000 0.000 0.265 41 E C -0.392 176.307 176.600 0.165 0.000 0.878 41 E CA -0.493 56.039 56.400 0.221 0.000 0.759 41 E CB 2.018 31.904 29.700 0.310 0.000 1.164 41 E HN 0.722 nan 8.360 nan 0.000 0.414 42 T N -0.545 114.076 114.554 0.111 0.000 2.882 42 T HA 0.502 4.852 4.350 -0.000 0.000 0.287 42 T C 0.316 175.070 174.700 0.090 0.000 1.014 42 T CA -0.608 61.539 62.100 0.078 0.000 1.049 42 T CB 0.970 69.863 68.868 0.041 0.000 1.001 42 T HN 0.115 nan 8.240 nan 0.000 0.525 43 S N 1.315 117.068 115.700 0.088 0.000 2.561 43 S HA 0.672 5.142 4.470 -0.000 0.000 0.303 43 S C -0.334 174.292 174.600 0.043 0.000 1.110 43 S CA -0.920 57.352 58.200 0.121 0.000 1.034 43 S CB 1.422 64.773 63.200 0.253 0.000 1.010 43 S HN 1.071 nan 8.310 nan 0.000 0.482 44 T N 1.181 115.637 114.554 -0.164 0.000 2.881 44 T HA 0.716 5.066 4.350 -0.000 0.000 0.291 44 T C -1.316 173.081 174.700 -0.505 0.000 0.990 44 T CA -0.516 61.468 62.100 -0.194 0.000 0.976 44 T CB 0.415 69.194 68.868 -0.149 0.000 0.970 44 T HN 0.420 nan 8.240 nan 0.000 0.438 45 Y N 1.457 121.763 120.300 0.009 0.000 2.492 45 Y HA 0.559 5.109 4.550 -0.000 0.000 0.346 45 Y C -0.182 175.694 175.900 -0.040 0.000 0.997 45 Y CA -1.232 56.858 58.100 -0.015 0.000 1.025 45 Y CB 2.353 40.800 38.460 -0.023 0.000 1.263 45 Y HN 0.570 nan 8.280 nan 0.000 0.454 46 N N 3.876 122.632 118.700 0.094 0.000 2.626 46 N HA 0.384 5.124 4.740 -0.000 0.000 0.242 46 N C -1.330 174.186 175.510 0.009 0.000 1.005 46 N CA -0.298 52.767 53.050 0.025 0.000 0.905 46 N CB 0.934 39.423 38.487 0.003 0.000 1.128 46 N HN 0.546 nan 8.380 nan 0.000 0.512 47 L N 0.909 122.096 121.223 -0.061 0.000 2.350 47 L HA 0.437 4.777 4.340 -0.000 0.000 0.275 47 L C 0.726 177.555 176.870 -0.068 0.000 1.099 47 L CA -0.398 54.370 54.840 -0.119 0.000 0.808 47 L CB 0.824 42.624 42.059 -0.431 0.000 1.149 47 L HN 0.166 nan 8.230 nan 0.000 0.442 48 T N 1.794 116.360 114.554 0.019 0.000 2.799 48 T HA 0.347 4.697 4.350 -0.000 0.000 0.286 48 T C 0.072 174.838 174.700 0.110 0.000 0.973 48 T CA -0.479 61.646 62.100 0.042 0.000 1.035 48 T CB 1.698 70.592 68.868 0.043 0.000 0.932 48 T HN 0.204 nan 8.240 nan 0.000 0.469 49 V N 3.402 123.364 119.914 0.080 0.000 2.530 49 V HA 0.475 4.595 4.120 -0.000 0.000 0.282 49 V C 1.198 177.371 176.094 0.132 0.000 1.048 49 V CA -0.264 62.129 62.300 0.155 0.000 0.997 49 V CB 1.081 32.967 31.823 0.106 0.000 0.987 49 V HN 1.045 nan 8.190 nan 0.000 0.477 50 G N 2.286 111.180 108.800 0.155 0.000 2.535 50 G HA2 0.184 4.144 3.960 -0.000 0.000 0.282 50 G HA3 0.184 4.144 3.960 -0.000 0.000 0.282 50 G C 0.527 175.463 174.900 0.060 0.000 1.350 50 G CA -0.235 44.917 45.100 0.086 0.000 1.039 50 G HN 0.670 nan 8.290 nan 0.000 0.509 51 D N -0.501 119.917 120.400 0.030 0.000 2.158 51 D HA -0.150 4.490 4.640 -0.000 0.000 0.197 51 D C 2.794 179.098 176.300 0.007 0.000 0.995 51 D CA 2.105 56.113 54.000 0.014 0.000 0.846 51 D CB -0.251 40.549 40.800 0.001 0.000 0.941 51 D HN 0.448 nan 8.370 nan 0.000 0.456 52 T N -3.597 110.956 114.554 -0.001 0.000 3.088 52 T HA 0.224 4.574 4.350 -0.000 0.000 0.259 52 T C 1.663 176.361 174.700 -0.003 0.000 1.122 52 T CA 0.832 62.919 62.100 -0.021 0.000 1.095 52 T CB 0.145 68.979 68.868 -0.058 0.000 0.930 52 T HN 0.217 nan 8.240 nan 0.000 0.508 53 G N 0.240 109.068 108.800 0.046 0.000 2.160 53 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.251 53 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.251 53 G C 0.038 175.022 174.900 0.140 0.000 1.008 53 G CA 0.293 45.451 45.100 0.096 0.000 0.724 53 G HN 1.003 nan 8.290 nan 0.000 0.514 54 S N -1.335 114.402 115.700 0.063 0.000 2.546 54 S HA 0.926 5.396 4.470 -0.000 0.000 0.274 54 S C 0.094 174.482 174.600 -0.354 0.000 1.121 54 S CA 0.717 58.823 58.200 -0.157 0.000 0.887 54 S CB 1.835 64.939 63.200 -0.160 0.000 1.094 54 S HN 1.937 nan 8.310 nan 0.000 0.474 55 G N 1.155 109.417 108.800 -0.897 0.000 2.488 55 G HA2 0.562 4.522 3.960 -0.000 0.000 0.301 55 G HA3 0.562 4.522 3.960 -0.000 0.000 0.301 55 G C -2.476 172.160 174.900 -0.440 0.000 1.339 55 G CA -0.527 44.218 45.100 -0.591 0.000 0.803 55 G HN 1.005 nan 8.290 nan 0.000 0.482 56 L N -0.129 121.127 121.223 0.056 0.000 2.464 56 L HA 0.783 5.123 4.340 -0.000 0.000 0.266 56 L C -1.204 175.779 176.870 0.189 0.000 0.965 56 L CA -0.659 54.246 54.840 0.107 0.000 0.833 56 L CB 1.794 43.850 42.059 -0.005 0.000 1.296 56 L HN 0.519 nan 8.230 nan 0.000 0.405 57 I N 5.348 125.962 120.570 0.073 0.000 2.354 57 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 57 I C -0.664 175.214 176.117 -0.397 0.000 0.989 57 I CA -0.915 60.278 61.300 -0.178 0.000 1.188 57 I CB 1.851 39.635 38.000 -0.360 0.000 1.342 57 I HN 0.254 nan 8.210 nan 0.000 0.457 58 V N 7.274 126.909 119.914 -0.465 0.000 2.350 58 V HA 0.363 4.483 4.120 -0.000 0.000 0.276 58 V C -0.269 175.345 176.094 -0.799 0.000 1.028 58 V CA -0.334 61.631 62.300 -0.557 0.000 0.860 58 V CB 0.812 32.326 31.823 -0.514 0.000 0.990 58 V HN 0.403 nan 8.190 nan 0.000 0.453 59 F N 4.085 123.764 119.950 -0.453 0.000 2.458 59 F HA 0.583 5.110 4.527 -0.000 0.000 0.330 59 F C -0.004 175.474 175.800 -0.536 0.000 1.082 59 F CA -0.621 57.131 58.000 -0.414 0.000 0.995 59 F CB 1.724 40.633 39.000 -0.151 0.000 1.170 59 F HN 0.366 nan 8.300 nan 0.000 0.478 60 F N 3.573 123.695 119.950 0.286 0.000 2.334 60 F HA 0.281 4.808 4.527 -0.000 0.000 0.343 60 F C -1.647 174.296 175.800 0.239 0.000 1.136 60 F CA -1.816 56.323 58.000 0.232 0.000 1.237 60 F CB 0.242 39.370 39.000 0.213 0.000 1.525 60 F HN 0.266 nan 8.300 nan 0.000 0.528 61 P HA -0.129 nan 4.420 nan 0.000 0.219 61 P C 1.399 178.802 177.300 0.173 0.000 1.146 61 P CA 1.241 64.433 63.100 0.153 0.000 0.808 61 P CB 0.316 32.060 31.700 0.072 0.000 0.779 62 G N -1.663 107.270 108.800 0.222 0.000 3.337 62 G HA2 0.046 4.006 3.960 -0.000 0.000 0.246 62 G HA3 0.046 4.006 3.960 -0.000 0.000 0.246 62 G C -0.169 174.884 174.900 0.256 0.000 1.131 62 G CA -0.394 44.816 45.100 0.184 0.000 0.773 62 G HN 0.149 nan 8.290 nan 0.000 0.544 63 F N 3.153 123.235 119.950 0.221 0.000 2.571 63 F HA 0.285 4.812 4.527 -0.000 0.000 0.384 63 F C -1.595 174.354 175.800 0.248 0.000 1.058 63 F CA -2.479 55.654 58.000 0.220 0.000 1.200 63 F CB 1.100 40.234 39.000 0.223 0.000 1.077 63 F HN -0.051 nan 8.300 nan 0.000 0.558 64 P HA 0.319 nan 4.420 nan 0.000 0.238 64 P C -0.047 177.169 177.300 -0.139 0.000 1.794 64 P CA 0.362 63.403 63.100 -0.099 0.000 1.088 64 P CB 0.227 31.792 31.700 -0.225 0.000 1.923 65 G N 0.476 109.451 108.800 0.291 0.000 2.368 65 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.269 65 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.269 65 G C 0.252 175.406 174.900 0.424 0.000 1.291 65 G CA -0.354 44.887 45.100 0.234 0.000 0.903 65 G HN -0.036 nan 8.290 nan 0.000 0.483 66 S N -0.441 115.441 115.700 0.303 0.000 2.558 66 S HA 0.285 4.755 4.470 -0.000 0.000 0.217 66 S C 0.963 175.659 174.600 0.160 0.000 0.975 66 S CA 0.095 58.414 58.200 0.199 0.000 0.912 66 S CB -0.261 63.005 63.200 0.109 0.000 0.776 66 S HN 0.352 nan 8.310 nan 0.000 0.526 67 I N 1.312 121.876 120.570 -0.011 0.000 2.337 67 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 67 I C 0.838 176.937 176.117 -0.031 0.000 1.046 67 I CA -0.132 61.005 61.300 -0.272 0.000 1.324 67 I CB 1.441 38.906 38.000 -0.891 0.000 1.409 67 I HN -0.061 nan 8.210 nan 0.000 0.494 68 V N 5.308 125.324 119.914 0.171 0.000 2.922 68 V HA 0.437 4.557 4.120 -0.000 0.000 0.242 68 V C 0.938 177.271 176.094 0.400 0.000 1.094 68 V CA 1.054 63.544 62.300 0.317 0.000 1.106 68 V CB 0.415 32.425 31.823 0.312 0.000 0.799 68 V HN 0.964 nan 8.190 nan 0.000 0.474 69 G N -1.110 107.843 108.800 0.254 0.000 2.341 69 G HA2 0.656 4.616 3.960 -0.000 0.000 0.299 69 G HA3 0.656 4.616 3.960 -0.000 0.000 0.299 69 G C -1.846 173.029 174.900 -0.041 0.000 1.274 69 G CA 0.146 45.243 45.100 -0.006 0.000 0.853 69 G HN 0.648 nan 8.290 nan 0.000 0.493 70 A N -0.596 122.098 122.820 -0.210 0.000 2.549 70 A HA 0.791 5.111 4.320 -0.000 0.000 0.297 70 A C -1.248 176.165 177.584 -0.284 0.000 1.061 70 A CA -0.450 51.492 52.037 -0.159 0.000 0.690 70 A CB 1.542 20.558 19.000 0.025 0.000 1.287 70 A HN 1.193 nan 8.150 nan 0.000 0.402 71 H N 1.287 120.061 119.070 -0.493 0.000 2.459 71 H HA 0.638 5.194 4.556 -0.000 0.000 0.332 71 H C -1.780 173.249 175.328 -0.499 0.000 1.094 71 H CA -0.271 55.544 56.048 -0.387 0.000 1.224 71 H CB 0.872 30.456 29.762 -0.297 0.000 1.449 71 H HN 0.612 nan 8.280 nan 0.000 0.484 72 Y N 2.140 122.227 120.300 -0.356 0.000 2.409 72 Y HA 0.169 4.719 4.550 -0.000 0.000 0.343 72 Y C 0.476 176.205 175.900 -0.285 0.000 0.973 72 Y CA -0.835 57.133 58.100 -0.219 0.000 1.064 72 Y CB 2.109 40.635 38.460 0.111 0.000 1.207 72 Y HN 0.579 nan 8.280 nan 0.000 0.452 73 T N 0.572 115.075 114.554 -0.084 0.000 2.922 73 T HA 0.561 4.911 4.350 -0.000 0.000 0.285 73 T C -0.731 174.011 174.700 0.070 0.000 1.005 73 T CA -0.750 61.347 62.100 -0.004 0.000 1.061 73 T CB 1.372 70.231 68.868 -0.015 0.000 1.007 73 T HN 0.458 nan 8.240 nan 0.000 0.502 74 L N 1.888 123.077 121.223 -0.057 0.000 2.334 74 L HA 0.441 4.781 4.340 -0.000 0.000 0.277 74 L C -0.045 176.726 176.870 -0.165 0.000 1.075 74 L CA -0.014 54.669 54.840 -0.260 0.000 0.804 74 L CB 1.126 42.973 42.059 -0.355 0.000 1.174 74 L HN 0.760 nan 8.230 nan 0.000 0.438 75 Q N 2.347 122.036 119.800 -0.186 0.000 2.297 75 Q HA 0.357 4.697 4.340 -0.000 0.000 0.269 75 Q C 0.920 176.853 176.000 -0.111 0.000 1.051 75 Q CA -0.180 55.558 55.803 -0.109 0.000 0.869 75 Q CB 1.452 30.144 28.738 -0.077 0.000 1.346 75 Q HN 0.897 nan 8.270 nan 0.000 0.457 76 G N 1.650 110.406 108.800 -0.075 0.000 2.556 76 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.220 76 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.220 76 G C 0.882 175.736 174.900 -0.077 0.000 1.156 76 G CA 1.429 46.489 45.100 -0.067 0.000 0.766 76 G HN 0.844 nan 8.290 nan 0.000 0.583 77 N N 0.807 119.460 118.700 -0.077 0.000 2.515 77 N HA 0.131 4.871 4.740 -0.000 0.000 0.191 77 N C 1.555 177.003 175.510 -0.104 0.000 1.182 77 N CA 1.001 54.005 53.050 -0.078 0.000 0.879 77 N CB 0.048 38.496 38.487 -0.064 0.000 0.984 77 N HN 0.579 nan 8.380 nan 0.000 0.453 78 G N 0.437 109.153 108.800 -0.140 0.000 2.179 78 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 78 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 78 G C -0.212 174.535 174.900 -0.255 0.000 0.977 78 G CA -0.174 44.812 45.100 -0.189 0.000 0.641 78 G HN 0.432 nan 8.290 nan 0.000 0.533 79 N N -0.167 118.406 118.700 -0.213 0.000 2.515 79 N HA 0.551 5.291 4.740 -0.000 0.000 0.279 79 N C -0.066 175.285 175.510 -0.265 0.000 1.164 79 N CA -0.266 52.662 53.050 -0.202 0.000 0.982 79 N CB 0.439 38.863 38.487 -0.104 0.000 1.170 79 N HN 0.230 nan 8.380 nan 0.000 0.474 80 Y N 0.288 120.519 120.300 -0.115 0.000 2.301 80 Y HA 0.234 4.784 4.550 -0.000 0.000 0.328 80 Y C 1.013 176.944 175.900 0.052 0.000 1.242 80 Y CA 0.115 58.195 58.100 -0.033 0.000 1.323 80 Y CB 1.010 39.422 38.460 -0.080 0.000 1.266 80 Y HN 0.192 nan 8.280 nan 0.000 0.527 81 K N 3.367 123.954 120.400 0.312 0.000 2.507 81 K HA 0.252 4.572 4.320 -0.000 0.000 0.252 81 K C -1.436 175.369 176.600 0.342 0.000 0.943 81 K CA -0.801 55.646 56.287 0.266 0.000 0.808 81 K CB 0.884 33.456 32.500 0.119 0.000 1.142 81 K HN 0.560 nan 8.250 nan 0.000 0.426 82 F N 3.846 123.940 119.950 0.241 0.000 2.607 82 F HA -0.030 4.497 4.527 -0.000 0.000 0.374 82 F C 0.886 176.621 175.800 -0.109 0.000 1.104 82 F CA 0.689 58.684 58.000 -0.009 0.000 1.296 82 F CB 0.800 39.820 39.000 0.033 0.000 1.085 82 F HN 0.816 nan 8.300 nan 0.000 0.584 83 D N 2.338 122.144 120.400 -0.991 0.000 2.805 83 D HA 0.107 4.747 4.640 -0.000 0.000 0.271 83 D C -0.614 175.010 176.300 -1.127 0.000 1.166 83 D CA 0.919 54.461 54.000 -0.763 0.000 1.004 83 D CB 0.219 40.759 40.800 -0.434 0.000 1.136 83 D HN 0.676 nan 8.370 nan 0.000 0.444 84 Q N -0.873 118.164 119.800 -1.271 0.000 2.578 84 Q HA 0.318 4.658 4.340 -0.000 0.000 0.284 84 Q C -1.103 174.633 176.000 -0.439 0.000 0.960 84 Q CA -1.035 54.282 55.803 -0.811 0.000 0.809 84 Q CB 1.092 29.630 28.738 -0.334 0.000 1.462 84 Q HN -0.048 nan 8.270 nan 0.000 0.392 85 M N 1.849 121.437 119.600 -0.019 0.000 2.238 85 M HA 0.347 4.827 4.480 -0.000 0.000 0.347 85 M C -0.517 175.655 176.300 -0.213 0.000 1.173 85 M CA 0.003 55.315 55.300 0.020 0.000 1.147 85 M CB -0.011 32.656 32.600 0.110 0.000 1.547 85 M HN 0.613 nan 8.290 nan 0.000 0.455 86 L N 4.795 125.869 121.223 -0.248 0.000 2.272 86 L HA 0.544 4.884 4.340 -0.000 0.000 0.289 86 L C -0.409 176.455 176.870 -0.010 0.000 1.032 86 L CA -0.363 54.202 54.840 -0.458 0.000 0.810 86 L CB 0.612 42.444 42.059 -0.378 0.000 1.205 86 L HN 0.567 nan 8.230 nan 0.000 0.422 87 L N 1.328 122.692 121.223 0.235 0.000 2.256 87 L HA 0.571 4.911 4.340 -0.000 0.000 0.261 87 L C 0.515 177.590 176.870 0.343 0.000 1.022 87 L CA -0.789 54.218 54.840 0.278 0.000 0.828 87 L CB 1.928 44.124 42.059 0.228 0.000 1.374 87 L HN 0.381 nan 8.230 nan 0.000 0.436 88 T N 0.185 114.887 114.554 0.247 0.000 2.856 88 T HA 0.110 4.460 4.350 -0.000 0.000 0.306 88 T C 1.123 175.916 174.700 0.154 0.000 1.062 88 T CA 0.497 62.726 62.100 0.215 0.000 1.083 88 T CB 1.429 70.421 68.868 0.206 0.000 0.984 88 T HN 0.723 nan 8.240 nan 0.000 0.542 89 A N 2.527 125.415 122.820 0.113 0.000 1.908 89 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 89 A C 1.024 178.645 177.584 0.062 0.000 1.181 89 A CA 1.423 53.494 52.037 0.056 0.000 0.627 89 A CB -0.364 18.661 19.000 0.042 0.000 0.818 89 A HN 0.846 nan 8.150 nan 0.000 0.445 90 Q N -1.475 118.373 119.800 0.080 0.000 2.433 90 Q HA 0.489 4.829 4.340 -0.000 0.000 0.279 90 Q C -1.220 174.826 176.000 0.076 0.000 1.105 90 Q CA -0.981 54.864 55.803 0.072 0.000 0.815 90 Q CB 0.784 29.563 28.738 0.068 0.000 1.403 90 Q HN 0.137 nan 8.270 nan 0.000 0.435 91 N N 1.661 120.399 118.700 0.064 0.000 2.415 91 N HA 0.126 4.866 4.740 -0.000 0.000 0.250 91 N C 0.496 176.042 175.510 0.060 0.000 1.127 91 N CA -0.003 53.083 53.050 0.060 0.000 0.945 91 N CB 0.309 38.825 38.487 0.049 0.000 1.196 91 N HN 0.767 nan 8.380 nan 0.000 0.499 92 L N 4.486 125.740 121.223 0.052 0.000 2.043 92 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 92 L C -0.664 176.272 176.870 0.110 0.000 1.075 92 L CA 1.276 56.167 54.840 0.085 0.000 0.752 92 L CB -1.077 40.925 42.059 -0.095 0.000 0.891 92 L HN 0.520 nan 8.230 nan 0.000 0.432 93 P HA -0.135 nan 4.420 nan 0.000 0.228 93 P C 1.099 178.400 177.300 0.001 0.000 1.151 93 P CA 1.293 64.406 63.100 0.021 0.000 0.770 93 P CB -0.019 31.686 31.700 0.009 0.000 0.786 94 A N -1.322 121.501 122.820 0.004 0.000 2.119 94 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 94 A C 2.015 179.553 177.584 -0.077 0.000 1.152 94 A CA 1.545 53.567 52.037 -0.025 0.000 0.708 94 A CB -0.547 18.446 19.000 -0.011 0.000 0.805 94 A HN 0.139 nan 8.150 nan 0.000 0.460 95 S N -2.783 112.846 115.700 -0.118 0.000 2.631 95 S HA 0.339 4.809 4.470 -0.000 0.000 0.246 95 S C -0.424 173.821 174.600 -0.592 0.000 1.068 95 S CA -0.241 57.738 58.200 -0.367 0.000 0.995 95 S CB 0.151 63.063 63.200 -0.481 0.000 0.944 95 S HN 0.496 nan 8.310 nan 0.000 0.529 96 Y N 1.047 121.333 120.300 -0.023 0.000 2.536 96 Y HA 0.521 5.071 4.550 -0.000 0.000 0.347 96 Y C 0.711 176.582 175.900 -0.048 0.000 1.000 96 Y CA -1.081 57.013 58.100 -0.011 0.000 1.051 96 Y CB 1.046 39.504 38.460 -0.003 0.000 1.259 96 Y HN -0.149 nan 8.280 nan 0.000 0.468 97 N N -0.008 118.759 118.700 0.111 0.000 2.454 97 N HA 0.081 4.821 4.740 -0.000 0.000 0.177 97 N C -1.143 174.161 175.510 -0.343 0.000 1.049 97 N CA 0.547 53.519 53.050 -0.129 0.000 0.887 97 N CB 0.426 38.832 38.487 -0.135 0.000 1.095 97 N HN 0.531 nan 8.380 nan 0.000 0.446 98 Y N -1.029 119.347 120.300 0.127 0.000 2.545 98 Y HA 0.546 5.096 4.550 -0.000 0.000 0.348 98 Y C -0.173 175.856 175.900 0.216 0.000 1.002 98 Y CA -1.147 57.049 58.100 0.159 0.000 1.039 98 Y CB 2.211 40.775 38.460 0.173 0.000 1.271 98 Y HN -0.119 nan 8.280 nan 0.000 0.467 99 C N 2.561 122.071 119.300 0.350 0.000 3.239 99 C HA 0.844 5.304 4.460 -0.000 0.000 0.329 99 C C -1.763 173.201 174.990 -0.042 0.000 1.252 99 C CA -0.714 58.383 59.018 0.131 0.000 1.323 99 C CB 1.794 29.521 27.740 -0.020 0.000 1.663 99 C HN 1.031 nan 8.230 nan 0.000 0.487 100 R N 2.776 123.233 120.500 -0.072 0.000 2.548 100 R HA 0.655 4.995 4.340 -0.000 0.000 0.280 100 R C -1.730 174.622 176.300 0.087 0.000 1.061 100 R CA -0.648 55.373 56.100 -0.132 0.000 0.915 100 R CB 1.674 31.641 30.300 -0.554 0.000 1.210 100 R HN 0.811 nan 8.270 nan 0.000 0.442 101 L N 4.706 126.002 121.223 0.122 0.000 2.319 101 L HA 0.222 4.562 4.340 -0.000 0.000 0.280 101 L C 0.152 177.043 176.870 0.035 0.000 1.099 101 L CA 0.401 55.269 54.840 0.046 0.000 0.828 101 L CB 1.594 43.692 42.059 0.066 0.000 1.150 101 L HN 0.634 nan 8.230 nan 0.000 0.442 102 V N 2.553 122.446 119.914 -0.035 0.000 2.436 102 V HA 0.255 4.375 4.120 -0.000 0.000 0.240 102 V C 0.571 176.723 176.094 0.098 0.000 1.040 102 V CA 1.136 63.501 62.300 0.109 0.000 1.052 102 V CB 0.057 31.938 31.823 0.097 0.000 0.707 102 V HN 0.940 nan 8.190 nan 0.000 0.469 103 S N -0.275 115.388 115.700 -0.062 0.000 2.578 103 S HA 0.724 5.194 4.470 -0.000 0.000 0.272 103 S C -0.940 173.577 174.600 -0.138 0.000 1.145 103 S CA -0.908 57.245 58.200 -0.078 0.000 0.835 103 S CB 2.662 65.800 63.200 -0.103 0.000 1.104 103 S HN 0.488 nan 8.310 nan 0.000 0.458 104 R N 0.444 120.882 120.500 -0.104 0.000 2.561 104 R HA 0.671 5.011 4.340 -0.000 0.000 0.266 104 R C -1.688 174.541 176.300 -0.117 0.000 1.091 104 R CA -0.031 56.000 56.100 -0.116 0.000 0.927 104 R CB 1.725 31.964 30.300 -0.102 0.000 1.240 104 R HN 1.284 nan 8.270 nan 0.000 0.449 105 S N 4.028 119.648 115.700 -0.134 0.000 2.549 105 S HA 0.763 5.233 4.470 -0.000 0.000 0.280 105 S C -1.171 173.304 174.600 -0.210 0.000 1.109 105 S CA -0.807 57.277 58.200 -0.194 0.000 0.905 105 S CB 1.728 64.798 63.200 -0.215 0.000 1.081 105 S HN 0.434 nan 8.310 nan 0.000 0.477 106 L N 1.436 122.485 121.223 -0.290 0.000 2.388 106 L HA 0.669 5.009 4.340 -0.000 0.000 0.264 106 L C -0.221 176.516 176.870 -0.222 0.000 0.998 106 L CA -0.457 54.211 54.840 -0.288 0.000 0.817 106 L CB 2.704 44.415 42.059 -0.580 0.000 1.338 106 L HN 0.755 nan 8.230 nan 0.000 0.414 107 T N 1.568 116.056 114.554 -0.110 0.000 2.823 107 T HA 0.698 5.048 4.350 -0.000 0.000 0.279 107 T C -0.891 173.823 174.700 0.023 0.000 0.998 107 T CA -0.368 61.702 62.100 -0.049 0.000 0.994 107 T CB 1.615 70.465 68.868 -0.029 0.000 0.960 107 T HN 0.232 nan 8.240 nan 0.000 0.448 108 V N 5.484 125.428 119.914 0.049 0.000 2.482 108 V HA 0.698 4.818 4.120 -0.000 0.000 0.295 108 V C -0.314 175.806 176.094 0.044 0.000 1.026 108 V CA -0.909 61.438 62.300 0.078 0.000 0.856 108 V CB 1.445 33.360 31.823 0.153 0.000 1.001 108 V HN 0.925 nan 8.190 nan 0.000 0.424 109 R N 2.305 122.812 120.500 0.012 0.000 2.629 109 R HA 0.684 5.024 4.340 -0.000 0.000 0.266 109 R C -0.653 175.628 176.300 -0.032 0.000 1.051 109 R CA -0.534 55.567 56.100 0.001 0.000 0.895 109 R CB 1.821 32.130 30.300 0.016 0.000 1.246 109 R HN 0.635 nan 8.270 nan 0.000 0.459 110 S N 0.492 116.169 115.700 -0.038 0.000 2.592 110 S HA 0.277 4.747 4.470 -0.000 0.000 0.271 110 S C 0.532 175.116 174.600 -0.027 0.000 1.326 110 S CA 0.107 58.276 58.200 -0.053 0.000 1.024 110 S CB 1.422 64.589 63.200 -0.055 0.000 0.921 110 S HN 0.887 nan 8.310 nan 0.000 0.527 111 S N 0.284 115.967 115.700 -0.028 0.000 2.651 111 S HA 0.296 4.766 4.470 -0.000 0.000 0.259 111 S C 0.200 174.792 174.600 -0.013 0.000 1.073 111 S CA -0.227 57.964 58.200 -0.016 0.000 1.090 111 S CB -0.015 63.175 63.200 -0.016 0.000 1.042 111 S HN 0.778 nan 8.310 nan 0.000 0.581 112 T N 2.812 117.355 114.554 -0.018 0.000 2.901 112 T HA 0.789 5.139 4.350 -0.000 0.000 0.293 112 T C -1.543 173.150 174.700 -0.011 0.000 1.084 112 T CA -0.824 61.269 62.100 -0.012 0.000 1.008 112 T CB 1.851 70.712 68.868 -0.012 0.000 1.170 112 T HN 0.380 nan 8.240 nan 0.000 0.509 113 L N -0.567 120.652 121.223 -0.005 0.000 2.455 113 L HA 0.819 5.159 4.340 -0.000 0.000 0.264 113 L C -2.761 174.108 176.870 -0.000 0.000 0.968 113 L CA -1.921 52.917 54.840 -0.003 0.000 0.827 113 L CB -0.555 41.504 42.059 0.000 0.000 1.317 113 L HN 0.353 nan 8.230 nan 0.000 0.407 121 N N 0.774 119.485 118.700 0.018 0.000 2.448 121 N HA 0.589 5.329 4.740 -0.000 0.000 0.279 121 N C 0.185 175.714 175.510 0.031 0.000 1.025 121 N CA 0.797 53.858 53.050 0.019 0.000 0.898 121 N CB 2.130 40.624 38.487 0.012 0.000 1.303 121 N HN 0.404 nan 8.380 nan 0.000 0.495 122 G N 1.487 110.306 108.800 0.032 0.000 2.726 122 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.261 122 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.261 122 G C -0.402 174.541 174.900 0.071 0.000 1.352 122 G CA 0.329 45.454 45.100 0.042 0.000 0.906 122 G HN 0.833 nan 8.290 nan 0.000 0.566 123 T N -2.787 111.827 114.554 0.101 0.000 2.883 123 T HA 0.705 5.055 4.350 -0.000 0.000 0.301 123 T C -0.383 174.512 174.700 0.325 0.000 1.158 123 T CA -0.702 61.506 62.100 0.179 0.000 1.007 123 T CB 2.063 71.045 68.868 0.190 0.000 1.186 123 T HN 0.984 nan 8.240 nan 0.000 0.499 124 I N 2.017 122.776 120.570 0.315 0.000 2.433 124 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 124 I C -0.720 175.498 176.117 0.169 0.000 1.001 124 I CA -0.945 60.548 61.300 0.322 0.000 1.119 124 I CB 1.885 40.013 38.000 0.212 0.000 1.289 124 I HN 0.551 nan 8.210 nan 0.000 0.438 125 N N 4.444 123.109 118.700 -0.058 0.000 2.362 125 N HA 0.808 5.548 4.740 -0.000 0.000 0.298 125 N C -1.066 174.361 175.510 -0.139 0.000 1.048 125 N CA -0.459 52.417 53.050 -0.290 0.000 0.858 125 N CB 2.227 40.221 38.487 -0.823 0.000 1.218 125 N HN 0.701 nan 8.380 nan 0.000 0.488 126 A N 0.756 123.524 122.820 -0.086 0.000 2.515 126 A HA 0.792 5.112 4.320 -0.000 0.000 0.298 126 A C -1.149 176.410 177.584 -0.042 0.000 1.059 126 A CA -0.595 51.423 52.037 -0.031 0.000 0.698 126 A CB 1.020 20.037 19.000 0.029 0.000 1.289 126 A HN 0.381 nan 8.150 nan 0.000 0.404 127 V N -1.102 118.800 119.914 -0.021 0.000 3.049 127 V HA 0.801 4.921 4.120 -0.000 0.000 0.309 127 V C -0.309 175.804 176.094 0.031 0.000 1.148 127 V CA -0.720 61.576 62.300 -0.006 0.000 0.990 127 V CB 1.591 33.414 31.823 0.001 0.000 1.039 127 V HN 0.808 nan 8.190 nan 0.000 0.430 128 T N 3.837 118.411 114.554 0.034 0.000 2.758 128 T HA 0.606 4.956 4.350 -0.000 0.000 0.285 128 T C -0.924 173.846 174.700 0.117 0.000 0.981 128 T CA 0.087 62.224 62.100 0.061 0.000 0.965 128 T CB 0.761 69.636 68.868 0.012 0.000 0.927 128 T HN 0.665 nan 8.240 nan 0.000 0.448 129 F N 2.742 122.681 119.950 -0.019 0.000 2.436 129 F HA 0.342 4.869 4.527 -0.000 0.000 0.340 129 F C 0.834 176.635 175.800 0.001 0.000 1.113 129 F CA -0.949 57.043 58.000 -0.013 0.000 1.022 129 F CB 1.460 40.452 39.000 -0.013 0.000 1.128 129 F HN 0.465 nan 8.300 nan 0.000 0.466 130 Q N 4.595 124.013 119.800 -0.638 0.000 2.404 130 Q HA 0.304 4.644 4.340 -0.000 0.000 0.272 130 Q C 0.063 175.637 176.000 -0.709 0.000 0.939 130 Q CA -0.107 55.386 55.803 -0.517 0.000 0.945 130 Q CB 0.014 28.549 28.738 -0.338 0.000 1.195 130 Q HN 0.887 nan 8.270 nan 0.000 0.415 131 G N -0.627 107.619 108.800 -0.922 0.000 2.687 131 G HA2 0.390 4.350 3.960 -0.000 0.000 0.291 131 G HA3 0.390 4.350 3.960 -0.000 0.000 0.291 131 G C -0.881 174.093 174.900 0.123 0.000 1.420 131 G CA -0.643 44.195 45.100 -0.437 0.000 0.796 131 G HN 0.206 nan 8.290 nan 0.000 0.485 132 S N -0.649 115.210 115.700 0.264 0.000 2.669 132 S HA 0.366 4.836 4.470 -0.000 0.000 0.270 132 S C 1.427 176.242 174.600 0.359 0.000 1.225 132 S CA -0.424 57.959 58.200 0.306 0.000 0.991 132 S CB 1.478 64.820 63.200 0.238 0.000 0.987 132 S HN 0.888 nan 8.310 nan 0.000 0.552 133 L N 1.705 123.091 121.223 0.272 0.000 2.013 133 L HA -0.140 4.200 4.340 -0.000 0.000 0.212 133 L C 2.535 179.471 176.870 0.109 0.000 1.073 133 L CA 2.682 57.603 54.840 0.135 0.000 0.753 133 L CB -1.473 40.638 42.059 0.086 0.000 0.890 133 L HN 0.984 nan 8.230 nan 0.000 0.432 134 S N -1.906 113.886 115.700 0.153 0.000 2.507 134 S HA -0.122 4.348 4.470 -0.000 0.000 0.235 134 S C 1.618 176.282 174.600 0.107 0.000 0.988 134 S CA 0.974 59.249 58.200 0.127 0.000 0.944 134 S CB -0.609 62.651 63.200 0.100 0.000 0.762 134 S HN 0.678 nan 8.310 nan 0.000 0.526 135 E N 0.445 120.746 120.200 0.168 0.000 2.371 135 E HA 0.215 4.565 4.350 -0.000 0.000 0.194 135 E C -0.147 176.489 176.600 0.060 0.000 1.012 135 E CA -0.151 56.375 56.400 0.211 0.000 0.860 135 E CB -0.092 29.844 29.700 0.394 0.000 0.811 135 E HN 0.521 nan 8.360 nan 0.000 0.502 136 L N 2.011 123.083 121.223 -0.251 0.000 2.513 136 L HA -0.048 4.292 4.340 -0.000 0.000 0.272 136 L C 1.775 178.520 176.870 -0.208 0.000 1.187 136 L CA 0.128 54.644 54.840 -0.540 0.000 0.895 136 L CB 0.708 42.415 42.059 -0.586 0.000 1.147 136 L HN 0.179 nan 8.230 nan 0.000 0.483 137 T N -1.819 112.637 114.554 -0.164 0.000 2.985 137 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 137 T C 0.439 175.097 174.700 -0.069 0.000 1.076 137 T CA 0.338 62.395 62.100 -0.072 0.000 1.135 137 T CB 0.124 68.972 68.868 -0.034 0.000 0.890 137 T HN 0.514 nan 8.240 nan 0.000 0.480 138 D N 0.756 121.099 120.400 -0.096 0.000 2.736 138 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 138 D C 0.255 176.517 176.300 -0.064 0.000 1.304 138 D CA -0.691 53.274 54.000 -0.058 0.000 0.934 138 D CB 2.252 43.027 40.800 -0.043 0.000 1.382 138 D HN 0.099 nan 8.370 nan 0.000 0.571 139 V N 1.382 121.293 119.914 -0.005 0.000 3.276 139 V HA 0.298 4.418 4.120 -0.000 0.000 0.319 139 V C 0.772 176.939 176.094 0.122 0.000 1.427 139 V CA -0.008 62.307 62.300 0.025 0.000 1.102 139 V CB -0.472 31.401 31.823 0.082 0.000 1.020 139 V HN 0.454 nan 8.190 nan 0.000 0.456 140 S N -0.654 115.111 115.700 0.108 0.000 2.584 140 S HA 0.237 4.707 4.470 -0.000 0.000 0.270 140 S C 0.869 175.546 174.600 0.127 0.000 1.346 140 S CA 0.277 58.562 58.200 0.140 0.000 1.018 140 S CB 0.590 63.838 63.200 0.080 0.000 0.899 140 S HN 0.479 nan 8.310 nan 0.000 0.542 141 Y N 2.777 123.102 120.300 0.041 0.000 2.062 141 Y HA -0.316 4.234 4.550 -0.000 0.000 0.276 141 Y C 2.108 178.016 175.900 0.014 0.000 1.189 141 Y CA 2.709 60.822 58.100 0.022 0.000 1.130 141 Y CB -0.524 37.939 38.460 0.005 0.000 0.959 141 Y HN 0.723 nan 8.280 nan 0.000 0.499 142 N N -0.206 118.579 118.700 0.141 0.000 2.216 142 N HA -0.086 4.654 4.740 -0.000 0.000 0.183 142 N C 2.032 177.526 175.510 -0.026 0.000 1.017 142 N CA 1.297 54.374 53.050 0.045 0.000 0.861 142 N CB -0.998 37.550 38.487 0.102 0.000 0.986 142 N HN 0.549 nan 8.380 nan 0.000 0.428 143 G N 1.754 110.549 108.800 -0.008 0.000 2.432 143 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 143 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 143 G C 1.666 176.533 174.900 -0.054 0.000 1.135 143 G CA 0.171 45.257 45.100 -0.024 0.000 0.767 143 G HN 0.200 nan 8.290 nan 0.000 0.550 144 L N 0.129 121.305 121.223 -0.079 0.000 2.064 144 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 144 L C 2.936 179.756 176.870 -0.083 0.000 1.077 144 L CA 1.183 55.963 54.840 -0.100 0.000 0.766 144 L CB -0.439 41.537 42.059 -0.138 0.000 0.890 144 L HN 0.216 nan 8.230 nan 0.000 0.435 145 M N -0.622 118.924 119.600 -0.090 0.000 2.530 145 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 145 M C 1.722 177.998 176.300 -0.040 0.000 1.067 145 M CA 1.273 56.529 55.300 -0.072 0.000 1.071 145 M CB -0.947 31.608 32.600 -0.075 0.000 1.405 145 M HN 0.297 nan 8.290 nan 0.000 0.478 146 S N -1.132 114.550 115.700 -0.030 0.000 2.593 146 S HA 0.415 4.885 4.470 -0.000 0.000 0.236 146 S C 1.629 176.238 174.600 0.015 0.000 0.991 146 S CA 0.177 58.371 58.200 -0.009 0.000 0.963 146 S CB 0.024 63.218 63.200 -0.009 0.000 0.865 146 S HN 0.393 nan 8.310 nan 0.000 0.488 147 A N 1.882 124.713 122.820 0.019 0.000 2.067 147 A HA 0.183 4.503 4.320 -0.000 0.000 0.219 147 A C 1.184 178.885 177.584 0.195 0.000 1.158 147 A CA 0.955 53.048 52.037 0.093 0.000 0.661 147 A CB -0.398 18.625 19.000 0.038 0.000 0.801 147 A HN 0.506 nan 8.150 nan 0.000 0.452 148 T N -3.665 110.947 114.554 0.097 0.000 2.906 148 T HA 0.624 4.974 4.350 -0.000 0.000 0.295 148 T C 0.665 175.374 174.700 0.016 0.000 1.075 148 T CA -0.131 62.003 62.100 0.057 0.000 1.005 148 T CB 1.874 70.756 68.868 0.024 0.000 1.136 148 T HN 0.294 nan 8.240 nan 0.000 0.498 149 A N 0.808 123.628 122.820 0.000 0.000 2.132 149 A HA 0.207 4.527 4.320 -0.000 0.000 0.213 149 A C 0.729 178.294 177.584 -0.030 0.000 1.154 149 A CA -0.028 52.000 52.037 -0.014 0.000 0.753 149 A CB -0.720 18.272 19.000 -0.014 0.000 0.826 149 A HN 0.847 nan 8.150 nan 0.000 0.469 150 N N 0.451 119.128 118.700 -0.038 0.000 2.438 150 N HA 0.161 4.901 4.740 -0.000 0.000 0.267 150 N C 0.650 176.117 175.510 -0.072 0.000 1.222 150 N CA -0.390 52.626 53.050 -0.058 0.000 0.930 150 N CB 0.880 39.327 38.487 -0.066 0.000 1.083 150 N HN 0.258 nan 8.380 nan 0.000 0.476 151 I N 2.836 123.358 120.570 -0.079 0.000 2.454 151 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 151 I C 1.056 177.091 176.117 -0.136 0.000 1.156 151 I CA 1.339 62.583 61.300 -0.093 0.000 1.433 151 I CB -0.086 37.864 38.000 -0.084 0.000 1.082 151 I HN 0.541 nan 8.210 nan 0.000 0.432 152 N N 0.483 119.087 118.700 -0.161 0.000 2.314 152 N HA 0.013 4.753 4.740 -0.000 0.000 0.200 152 N C 0.182 175.552 175.510 -0.233 0.000 1.135 152 N CA 0.381 53.286 53.050 -0.241 0.000 0.835 152 N CB 0.050 38.381 38.487 -0.261 0.000 0.989 152 N HN 0.410 nan 8.380 nan 0.000 0.478 153 D N 0.301 120.608 120.400 -0.156 0.000 2.513 153 D HA 0.078 4.718 4.640 -0.000 0.000 0.222 153 D C 0.083 176.330 176.300 -0.089 0.000 1.210 153 D CA 0.205 54.134 54.000 -0.118 0.000 0.825 153 D CB 0.899 41.652 40.800 -0.078 0.000 1.037 153 D HN 0.393 nan 8.370 nan 0.000 0.506 154 K N -0.065 120.271 120.400 -0.107 0.000 2.502 154 K HA 0.667 4.987 4.320 -0.000 0.000 0.257 154 K C -1.417 175.124 176.600 -0.099 0.000 0.938 154 K CA -0.899 55.337 56.287 -0.085 0.000 0.819 154 K CB 2.683 35.143 32.500 -0.067 0.000 1.333 154 K HN -0.176 nan 8.250 nan 0.000 0.434 155 I N 0.637 121.160 120.570 -0.078 0.000 2.656 155 I HA 0.519 4.689 4.170 -0.000 0.000 0.292 155 I C -1.229 174.859 176.117 -0.049 0.000 1.144 155 I CA -0.087 61.177 61.300 -0.061 0.000 1.038 155 I CB 2.461 40.433 38.000 -0.046 0.000 1.244 155 I HN 0.872 nan 8.210 nan 0.000 0.420 156 G N 4.258 113.038 108.800 -0.033 0.000 2.470 156 G HA2 0.424 4.384 3.960 -0.000 0.000 0.320 156 G HA3 0.424 4.384 3.960 -0.000 0.000 0.320 156 G C -0.496 174.419 174.900 0.026 0.000 1.245 156 G CA -0.450 44.633 45.100 -0.029 0.000 0.935 156 G HN 0.681 nan 8.290 nan 0.000 0.476 157 N N -0.167 118.575 118.700 0.069 0.000 2.738 157 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 157 N C 0.321 175.897 175.510 0.109 0.000 1.047 157 N CA 0.662 53.795 53.050 0.139 0.000 0.707 157 N CB -1.073 37.490 38.487 0.126 0.000 0.937 157 N HN 0.415 nan 8.380 nan 0.000 0.545 158 V N 1.119 121.096 119.914 0.106 0.000 2.614 158 V HA 0.111 4.231 4.120 -0.000 0.000 0.291 158 V C 1.453 177.612 176.094 0.108 0.000 1.049 158 V CA -0.508 61.850 62.300 0.097 0.000 1.038 158 V CB 1.021 32.901 31.823 0.095 0.000 0.980 158 V HN 0.171 nan 8.190 nan 0.000 0.481 159 L N 4.712 125.987 121.223 0.087 0.000 2.490 159 L HA 0.066 4.406 4.340 -0.000 0.000 0.274 159 L C 1.457 178.373 176.870 0.077 0.000 1.201 159 L CA -0.053 54.833 54.840 0.078 0.000 0.869 159 L CB 0.653 42.748 42.059 0.059 0.000 1.123 159 L HN 0.501 nan 8.230 nan 0.000 0.484 160 V N 3.408 123.367 119.914 0.074 0.000 2.407 160 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 160 V C 2.276 178.391 176.094 0.036 0.000 1.055 160 V CA 2.187 64.523 62.300 0.059 0.000 1.049 160 V CB -0.750 31.101 31.823 0.046 0.000 0.662 160 V HN 1.117 nan 8.190 nan 0.000 0.455 161 G N -0.713 108.107 108.800 0.033 0.000 2.422 161 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 161 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 161 G C 1.556 176.475 174.900 0.032 0.000 1.146 161 G CA 0.982 46.097 45.100 0.025 0.000 0.769 161 G HN 0.577 nan 8.290 nan 0.000 0.547 162 E N 0.090 120.316 120.200 0.043 0.000 2.051 162 E HA 0.271 4.621 4.350 -0.000 0.000 0.189 162 E C 1.345 177.979 176.600 0.057 0.000 0.979 162 E CA 0.782 57.212 56.400 0.051 0.000 0.803 162 E CB -0.113 29.623 29.700 0.060 0.000 0.761 162 E HN 0.476 nan 8.360 nan 0.000 0.451 163 G N -0.090 108.748 108.800 0.063 0.000 2.712 163 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.683 163 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.683 163 G C -0.958 173.991 174.900 0.082 0.000 1.320 163 G CA -0.314 44.825 45.100 0.065 0.000 0.847 163 G HN 0.286 nan 8.290 nan 0.000 0.553 164 V N 0.222 120.184 119.914 0.081 0.000 2.769 164 V HA 0.827 4.947 4.120 -0.000 0.000 0.312 164 V C 0.340 176.463 176.094 0.047 0.000 1.061 164 V CA -0.100 62.254 62.300 0.091 0.000 0.931 164 V CB 2.360 34.246 31.823 0.105 0.000 1.010 164 V HN 1.165 nan 8.190 nan 0.000 0.433 165 T N 3.676 118.254 114.554 0.040 0.000 2.792 165 T HA 0.518 4.868 4.350 -0.000 0.000 0.280 165 T C -0.583 174.085 174.700 -0.052 0.000 0.990 165 T CA -0.305 61.727 62.100 -0.113 0.000 0.960 165 T CB 1.444 70.074 68.868 -0.397 0.000 0.939 165 T HN 0.340 nan 8.240 nan 0.000 0.439 166 V N 4.770 124.594 119.914 -0.150 0.000 2.383 166 V HA 0.484 4.604 4.120 -0.000 0.000 0.275 166 V C -0.342 175.647 176.094 -0.175 0.000 1.036 166 V CA -0.743 61.477 62.300 -0.133 0.000 0.889 166 V CB 1.219 32.880 31.823 -0.269 0.000 0.985 166 V HN 0.650 nan 8.190 nan 0.000 0.459 167 L N 4.893 126.087 121.223 -0.049 0.000 2.333 167 L HA 0.596 4.936 4.340 -0.000 0.000 0.280 167 L C 0.215 177.075 176.870 -0.016 0.000 1.004 167 L CA 0.241 55.054 54.840 -0.045 0.000 0.820 167 L CB 2.062 44.181 42.059 0.100 0.000 1.247 167 L HN 0.629 nan 8.230 nan 0.000 0.416 168 S N 5.947 121.623 115.700 -0.039 0.000 2.448 168 S HA 0.543 5.013 4.470 -0.000 0.000 0.279 168 S C -0.427 174.172 174.600 -0.001 0.000 1.195 168 S CA -0.533 57.656 58.200 -0.019 0.000 1.051 168 S CB -0.289 62.898 63.200 -0.021 0.000 0.948 168 S HN 0.605 nan 8.310 nan 0.000 0.493 169 L N 6.485 127.705 121.223 -0.005 0.000 2.331 169 L HA 0.568 4.908 4.340 -0.000 0.000 0.275 169 L C -1.749 175.094 176.870 -0.046 0.000 1.022 169 L CA -2.350 52.484 54.840 -0.009 0.000 0.812 169 L CB 1.517 43.566 42.059 -0.017 0.000 1.257 169 L HN 0.528 nan 8.230 nan 0.000 0.435 170 P HA 0.083 nan 4.420 nan 0.000 0.271 170 P C -0.580 176.573 177.300 -0.244 0.000 1.218 170 P CA -0.199 62.757 63.100 -0.240 0.000 0.780 170 P CB 0.672 32.032 31.700 -0.567 0.000 0.901 171 T N -2.071 112.330 114.554 -0.256 0.000 3.250 171 T HA 0.491 4.841 4.350 -0.000 0.000 0.391 171 T C -0.262 174.271 174.700 -0.278 0.000 1.502 171 T CA -0.672 61.297 62.100 -0.219 0.000 1.320 171 T CB -0.757 68.022 68.868 -0.147 0.000 1.102 171 T HN 0.631 nan 8.240 nan 0.000 0.610 172 S N 1.415 116.912 115.700 -0.338 0.000 2.971 172 S HA -0.104 4.366 4.470 -0.000 0.000 0.856 172 S C -0.802 173.539 174.600 -0.432 0.000 0.951 172 S CA -0.662 57.353 58.200 -0.309 0.000 1.380 172 S CB -1.015 62.053 63.200 -0.219 0.000 0.986 172 S HN 0.728 nan 8.310 nan 0.000 0.235 173 Y N 2.017 122.284 120.300 -0.054 0.000 2.679 173 Y HA 0.471 5.021 4.550 -0.000 0.000 0.331 173 Y C 1.305 177.167 175.900 -0.063 0.000 1.183 173 Y CA -0.250 57.815 58.100 -0.059 0.000 1.290 173 Y CB 0.466 38.893 38.460 -0.056 0.000 1.489 173 Y HN 0.779 nan 8.280 nan 0.000 0.583 174 D N 0.729 121.223 120.400 0.157 0.000 2.751 174 D HA -0.185 4.455 4.640 -0.000 0.000 0.233 174 D C -1.070 175.257 176.300 0.045 0.000 1.149 174 D CA 0.749 54.792 54.000 0.071 0.000 0.682 174 D CB -1.101 39.731 40.800 0.052 0.000 1.068 174 D HN 0.270 nan 8.370 nan 0.000 0.429 175 L N -0.083 121.162 121.223 0.037 0.000 2.417 175 L HA 0.405 4.745 4.340 -0.000 0.000 0.268 175 L C 1.833 178.781 176.870 0.130 0.000 1.158 175 L CA -0.121 54.729 54.840 0.016 0.000 0.819 175 L CB 0.851 42.861 42.059 -0.081 0.000 1.112 175 L HN 0.034 nan 8.230 nan 0.000 0.458 176 G N 0.625 109.569 108.800 0.240 0.000 2.606 176 G HA2 0.161 4.121 3.960 -0.000 0.000 0.252 176 G HA3 0.161 4.121 3.960 -0.000 0.000 0.252 176 G C -0.859 174.200 174.900 0.265 0.000 1.206 176 G CA -0.334 44.927 45.100 0.268 0.000 0.861 176 G HN 0.344 nan 8.290 nan 0.000 0.561 177 Y N -0.503 119.864 120.300 0.111 0.000 2.511 177 Y HA 0.234 4.784 4.550 -0.000 0.000 0.332 177 Y C 0.888 176.846 175.900 0.097 0.000 1.177 177 Y CA 0.216 58.379 58.100 0.106 0.000 1.422 177 Y CB 1.044 39.544 38.460 0.068 0.000 1.271 177 Y HN 0.150 nan 8.280 nan 0.000 0.550 178 V N 5.345 125.298 119.914 0.066 0.000 2.427 178 V HA 0.316 4.436 4.120 -0.000 0.000 0.286 178 V C 0.123 176.216 176.094 -0.001 0.000 1.034 178 V CA -1.208 61.002 62.300 -0.150 0.000 0.893 178 V CB 1.376 32.874 31.823 -0.541 0.000 0.982 178 V HN 0.633 nan 8.190 nan 0.000 0.452 179 R N 3.909 124.367 120.500 -0.070 0.000 2.401 179 R HA 0.365 4.705 4.340 -0.000 0.000 0.299 179 R C -0.405 175.759 176.300 -0.226 0.000 1.064 179 R CA -0.328 55.580 56.100 -0.321 0.000 1.000 179 R CB 0.287 30.363 30.300 -0.372 0.000 0.973 179 R HN 0.624 nan 8.270 nan 0.000 0.438 180 L N 2.180 123.273 121.223 -0.216 0.000 2.475 180 L HA 0.219 4.559 4.340 -0.000 0.000 0.250 180 L C 1.521 178.332 176.870 -0.098 0.000 1.224 180 L CA -0.041 54.728 54.840 -0.117 0.000 0.821 180 L CB 0.501 42.516 42.059 -0.072 0.000 1.141 180 L HN 0.804 nan 8.230 nan 0.000 0.494 181 G N 0.185 108.963 108.800 -0.036 0.000 3.455 181 G HA2 0.035 3.995 3.960 -0.000 0.000 0.250 181 G HA3 0.035 3.995 3.960 -0.000 0.000 0.250 181 G C -0.041 174.837 174.900 -0.037 0.000 1.071 181 G CA -0.401 44.682 45.100 -0.028 0.000 1.812 181 G HN 0.712 nan 8.290 nan 0.000 0.643 182 D N 1.095 121.454 120.400 -0.068 0.000 2.382 182 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 182 D C -2.469 173.802 176.300 -0.049 0.000 1.120 182 D CA -1.541 52.424 54.000 -0.059 0.000 0.890 182 D CB 1.859 42.609 40.800 -0.083 0.000 1.201 182 D HN 0.070 nan 8.370 nan 0.000 0.433 183 P HA 0.152 nan 4.420 nan 0.000 0.268 183 P C -0.451 176.829 177.300 -0.033 0.000 1.205 183 P CA -0.408 62.675 63.100 -0.029 0.000 0.771 183 P CB 0.834 32.521 31.700 -0.022 0.000 0.858 184 I N 5.046 125.599 120.570 -0.029 0.000 2.562 184 I HA 0.404 4.574 4.170 -0.000 0.000 0.301 184 I C -2.236 173.869 176.117 -0.020 0.000 1.003 184 I CA -3.099 58.184 61.300 -0.027 0.000 1.127 184 I CB 1.259 39.241 38.000 -0.029 0.000 1.304 184 I HN 0.207 nan 8.210 nan 0.000 0.446 185 P HA 0.433 nan 4.420 nan 0.000 0.267 185 P C -1.541 175.752 177.300 -0.012 0.000 1.209 185 P CA -0.133 62.959 63.100 -0.014 0.000 0.763 185 P CB 0.467 32.159 31.700 -0.012 0.000 0.816 186 A N 3.477 126.291 122.820 -0.010 0.000 2.566 186 A HA 0.697 5.017 4.320 -0.000 0.000 0.297 186 A C -0.825 176.754 177.584 -0.007 0.000 1.059 186 A CA -0.687 51.344 52.037 -0.009 0.000 0.691 186 A CB 0.987 19.982 19.000 -0.009 0.000 1.282 186 A HN 0.565 nan 8.150 nan 0.000 0.401 187 I N -0.578 119.989 120.570 -0.006 0.000 2.646 187 I HA 1.007 5.177 4.170 -0.000 0.000 0.299 187 I C 0.106 176.220 176.117 -0.004 0.000 1.036 187 I CA -0.866 60.431 61.300 -0.005 0.000 1.074 187 I CB 2.444 40.441 38.000 -0.005 0.000 1.258 187 I HN 0.987 nan 8.210 nan 0.000 0.430 188 G N 3.824 112.622 108.800 -0.004 0.000 2.673 188 G HA2 0.417 4.377 3.960 -0.000 0.000 0.292 188 G HA3 0.417 4.377 3.960 -0.000 0.000 0.292 188 G C -0.216 174.682 174.900 -0.003 0.000 1.450 188 G CA -0.878 44.220 45.100 -0.003 0.000 0.837 188 G HN 0.724 nan 8.290 nan 0.000 0.505 189 L N -0.361 120.860 121.223 -0.003 0.000 2.201 189 L HA 0.064 4.404 4.340 -0.000 0.000 0.212 189 L C 0.803 177.671 176.870 -0.002 0.000 1.105 189 L CA 0.680 55.518 54.840 -0.002 0.000 0.775 189 L CB 0.090 42.147 42.059 -0.002 0.000 0.913 189 L HN 0.378 nan 8.230 nan 0.000 0.440 190 D N -0.309 120.090 120.400 -0.002 0.000 2.295 190 D HA 0.120 4.760 4.640 -0.000 0.000 0.248 190 D C -1.532 174.767 176.300 -0.001 0.000 1.154 190 D CA -2.027 51.972 54.000 -0.001 0.000 0.857 190 D CB 1.763 42.562 40.800 -0.002 0.000 1.117 190 D HN -0.174 nan 8.370 nan 0.000 0.468 191 P HA -0.146 nan 4.420 nan 0.000 0.216 191 P C 0.497 177.798 177.300 0.001 0.000 1.154 191 P CA 1.353 64.454 63.100 0.001 0.000 0.865 191 P CB 0.263 31.964 31.700 0.002 0.000 0.789 192 K N -1.394 119.007 120.400 0.002 0.000 2.504 192 K HA 0.118 4.438 4.320 -0.000 0.000 0.199 192 K C 0.781 177.382 176.600 0.002 0.000 1.028 192 K CA -0.237 56.052 56.287 0.003 0.000 1.164 192 K CB -0.310 32.192 32.500 0.004 0.000 0.877 192 K HN 0.198 nan 8.250 nan 0.000 0.508 193 M N 1.941 121.541 119.600 0.000 0.000 2.219 193 M HA 0.080 4.560 4.480 -0.000 0.000 0.353 193 M C -1.056 175.244 176.300 -0.001 0.000 1.304 193 M CA 0.379 55.679 55.300 -0.001 0.000 1.115 193 M CB 0.686 33.285 32.600 -0.002 0.000 1.664 193 M HN -0.209 nan 8.290 nan 0.000 0.459 194 V N 4.607 124.521 119.914 -0.001 0.000 2.623 194 V HA 0.731 4.851 4.120 -0.000 0.000 0.304 194 V C -0.729 175.362 176.094 -0.005 0.000 1.054 194 V CA -0.839 61.460 62.300 -0.002 0.000 0.882 194 V CB 1.709 33.533 31.823 0.001 0.000 1.002 194 V HN 0.952 nan 8.190 nan 0.000 0.424 195 A N 3.394 126.208 122.820 -0.009 0.000 2.357 195 A HA 0.915 5.235 4.320 -0.000 0.000 0.295 195 A C -0.146 177.425 177.584 -0.020 0.000 1.121 195 A CA -0.273 51.756 52.037 -0.014 0.000 0.742 195 A CB 1.536 20.527 19.000 -0.014 0.000 1.181 195 A HN 0.955 nan 8.150 nan 0.000 0.454 196 T N -1.902 112.637 114.554 -0.026 0.000 2.907 196 T HA 0.612 4.962 4.350 -0.000 0.000 0.290 196 T C -0.647 174.022 174.700 -0.051 0.000 1.066 196 T CA -0.791 61.287 62.100 -0.036 0.000 1.012 196 T CB 1.455 70.305 68.868 -0.029 0.000 1.184 196 T HN 1.074 nan 8.240 nan 0.000 0.522 197 C N 2.297 121.556 119.300 -0.067 0.000 2.301 197 C HA 0.657 5.117 4.460 -0.000 0.000 0.323 197 C C -0.851 174.079 174.990 -0.101 0.000 1.265 197 C CA -0.456 58.510 59.018 -0.086 0.000 1.503 197 C CB -0.981 26.702 27.740 -0.095 0.000 2.195 197 C HN 0.889 nan 8.230 nan 0.000 0.477 198 D N 2.905 123.246 120.400 -0.099 0.000 2.268 198 D HA 0.316 4.956 4.640 -0.000 0.000 0.249 198 D C -0.080 176.171 176.300 -0.082 0.000 1.008 198 D CA -0.009 53.941 54.000 -0.082 0.000 0.939 198 D CB 1.592 42.347 40.800 -0.074 0.000 1.170 198 D HN 0.555 nan 8.370 nan 0.000 0.468 199 S N 0.029 115.690 115.700 -0.065 0.000 2.629 199 S HA 0.122 4.592 4.470 -0.000 0.000 0.302 199 S C 1.058 175.654 174.600 -0.006 0.000 1.244 199 S CA -0.111 58.045 58.200 -0.075 0.000 1.098 199 S CB 0.137 63.273 63.200 -0.107 0.000 0.858 199 S HN 0.521 nan 8.310 nan 0.000 0.502 200 S N 1.257 116.957 115.700 -0.001 0.000 3.019 200 S HA 0.120 4.590 4.470 -0.000 0.000 0.258 200 S C -0.370 174.275 174.600 0.076 0.000 1.082 200 S CA -0.533 57.698 58.200 0.051 0.000 0.836 200 S CB -0.451 62.748 63.200 -0.002 0.000 0.834 200 S HN 0.569 nan 8.310 nan 0.000 0.457 201 D N 3.469 123.906 120.400 0.062 0.000 2.571 201 D HA 0.243 4.883 4.640 -0.000 0.000 0.231 201 D C 0.113 176.485 176.300 0.119 0.000 1.133 201 D CA 0.631 54.686 54.000 0.093 0.000 0.862 201 D CB -0.059 40.810 40.800 0.115 0.000 1.179 201 D HN 0.179 nan 8.370 nan 0.000 0.474 202 R N -0.409 120.154 120.500 0.105 0.000 3.125 202 R HA -0.100 4.240 4.340 -0.000 0.000 0.258 202 R C -2.489 173.855 176.300 0.074 0.000 0.968 202 R CA -0.041 56.115 56.100 0.093 0.000 0.656 202 R CB -1.844 28.543 30.300 0.145 0.000 1.251 202 R HN 0.450 nan 8.270 nan 0.000 0.428 203 P HA 0.084 nan 4.420 nan 0.000 0.272 203 P C -0.274 177.012 177.300 -0.024 0.000 1.230 203 P CA -0.115 63.005 63.100 0.034 0.000 0.788 203 P CB 0.730 32.457 31.700 0.045 0.000 0.949 204 R N 1.261 121.722 120.500 -0.065 0.000 2.407 204 R HA 0.514 4.854 4.340 -0.000 0.000 0.303 204 R C -1.353 174.819 176.300 -0.212 0.000 0.981 204 R CA -0.723 55.280 56.100 -0.162 0.000 0.905 204 R CB 0.859 31.046 30.300 -0.188 0.000 1.099 204 R HN 0.259 nan 8.270 nan 0.000 0.459 205 V N 5.518 125.272 119.914 -0.266 0.000 2.487 205 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 205 V C -1.197 174.723 176.094 -0.290 0.000 1.028 205 V CA -0.703 61.477 62.300 -0.200 0.000 0.860 205 V CB 1.464 33.227 31.823 -0.100 0.000 0.991 205 V HN 0.688 nan 8.190 nan 0.000 0.427 206 Y N 1.793 122.072 120.300 -0.034 0.000 2.360 206 Y HA 0.594 5.144 4.550 -0.000 0.000 0.337 206 Y C 0.749 176.611 175.900 -0.063 0.000 1.039 206 Y CA -0.535 57.541 58.100 -0.039 0.000 1.109 206 Y CB 2.044 40.487 38.460 -0.028 0.000 1.201 206 Y HN 0.497 nan 8.280 nan 0.000 0.458 207 T N 5.226 119.825 114.554 0.075 0.000 2.786 207 T HA 0.573 4.923 4.350 -0.000 0.000 0.283 207 T C -0.544 174.110 174.700 -0.077 0.000 0.992 207 T CA -0.512 61.576 62.100 -0.020 0.000 0.954 207 T CB 0.278 69.125 68.868 -0.036 0.000 0.934 207 T HN 0.378 nan 8.240 nan 0.000 0.440 208 I N 2.911 123.374 120.570 -0.177 0.000 2.411 208 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 208 I C 0.273 176.177 176.117 -0.356 0.000 1.012 208 I CA -0.637 60.463 61.300 -0.333 0.000 1.119 208 I CB 1.689 39.332 38.000 -0.595 0.000 1.261 208 I HN 0.473 nan 8.210 nan 0.000 0.448 209 T N 5.810 120.204 114.554 -0.267 0.000 2.863 209 T HA 0.209 4.559 4.350 -0.000 0.000 0.299 209 T C 1.206 175.749 174.700 -0.262 0.000 0.973 209 T CA -0.237 61.733 62.100 -0.216 0.000 0.994 209 T CB 1.081 69.874 68.868 -0.125 0.000 0.961 209 T HN 0.755 nan 8.240 nan 0.000 0.552 210 A N 2.937 125.564 122.820 -0.321 0.000 2.014 210 A HA 0.560 4.880 4.320 -0.000 0.000 0.218 210 A C 1.214 178.754 177.584 -0.074 0.000 1.163 210 A CA 0.593 52.466 52.037 -0.273 0.000 0.652 210 A CB 0.108 19.013 19.000 -0.157 0.000 0.808 210 A HN 0.889 nan 8.150 nan 0.000 0.449 211 A N -0.851 121.936 122.820 -0.056 0.000 2.540 211 A HA 0.541 4.861 4.320 -0.000 0.000 0.297 211 A C -1.991 175.606 177.584 0.022 0.000 1.056 211 A CA -0.354 51.700 52.037 0.029 0.000 0.700 211 A CB 1.039 20.089 19.000 0.083 0.000 1.280 211 A HN 0.024 nan 8.150 nan 0.000 0.398 212 D N 2.178 122.619 120.400 0.069 0.000 2.375 212 D HA 0.432 5.072 4.640 -0.000 0.000 0.259 212 D C -0.773 175.577 176.300 0.083 0.000 1.235 212 D CA 0.260 54.289 54.000 0.048 0.000 0.924 212 D CB 0.442 41.258 40.800 0.028 0.000 1.143 212 D HN 0.471 nan 8.370 nan 0.000 0.529 213 D N 1.988 122.438 120.400 0.083 0.000 2.686 213 D HA -0.295 4.345 4.640 -0.000 0.000 0.235 213 D C -0.457 175.924 176.300 0.136 0.000 1.160 213 D CA 0.586 54.642 54.000 0.095 0.000 0.645 213 D CB -1.835 38.998 40.800 0.054 0.000 1.039 213 D HN 0.470 nan 8.370 nan 0.000 0.423 214 Y N 1.033 121.388 120.300 0.092 0.000 2.526 214 Y HA 0.139 4.689 4.550 -0.000 0.000 0.330 214 Y C 0.493 176.476 175.900 0.137 0.000 1.156 214 Y CA 0.099 58.268 58.100 0.116 0.000 1.419 214 Y CB 0.627 39.185 38.460 0.162 0.000 1.250 214 Y HN -0.027 nan 8.280 nan 0.000 0.540 215 Q N 8.065 127.472 119.800 -0.655 0.000 2.390 215 Q HA 0.138 4.478 4.340 -0.000 0.000 0.249 215 Q C -1.141 174.353 176.000 -0.845 0.000 0.996 215 Q CA -0.438 55.054 55.803 -0.517 0.000 0.899 215 Q CB 1.027 29.560 28.738 -0.341 0.000 1.216 215 Q HN 0.713 nan 8.270 nan 0.000 0.465 216 F N 1.707 121.180 119.950 -0.794 0.000 2.396 216 F HA 0.436 4.963 4.527 -0.000 0.000 0.343 216 F C -0.246 175.199 175.800 -0.592 0.000 1.104 216 F CA -0.213 57.285 58.000 -0.835 0.000 1.161 216 F CB 1.276 39.239 39.000 -1.728 0.000 1.146 216 F HN 0.325 nan 8.300 nan 0.000 0.522 217 S N 4.052 118.927 115.700 -1.374 0.000 2.566 217 S HA 0.651 5.121 4.470 -0.000 0.000 0.273 217 S C -1.393 172.614 174.600 -0.989 0.000 1.157 217 S CA -0.430 57.167 58.200 -1.005 0.000 0.938 217 S CB 1.226 64.128 63.200 -0.497 0.000 1.087 217 S HN 0.919 nan 8.310 nan 0.000 0.474 218 S N 2.450 117.726 115.700 -0.708 0.000 2.558 218 S HA 0.381 4.851 4.470 -0.000 0.000 0.277 218 S C -1.629 172.886 174.600 -0.142 0.000 1.143 218 S CA -0.579 57.395 58.200 -0.376 0.000 0.865 218 S CB 1.548 64.553 63.200 -0.324 0.000 1.102 218 S HN 0.791 nan 8.310 nan 0.000 0.454 219 Q N 1.572 121.332 119.800 -0.067 0.000 2.392 219 Q HA 0.140 4.480 4.340 -0.000 0.000 0.262 219 Q C -0.753 175.290 176.000 0.073 0.000 1.003 219 Q CA 0.101 55.912 55.803 0.014 0.000 0.888 219 Q CB 0.368 29.111 28.738 0.008 0.000 1.260 219 Q HN 0.690 nan 8.270 nan 0.000 0.435 220 Y N 1.995 122.311 120.300 0.025 0.000 2.712 220 Y HA -0.029 4.521 4.550 -0.000 0.000 0.333 220 Y C -0.546 175.379 175.900 0.043 0.000 1.225 220 Y CA 0.496 58.626 58.100 0.049 0.000 1.499 220 Y CB 0.506 38.993 38.460 0.045 0.000 1.288 220 Y HN 0.512 nan 8.280 nan 0.000 0.575 221 Q N 7.308 126.608 119.800 -0.833 0.000 2.347 221 Q HA 0.385 4.725 4.340 -0.000 0.000 0.271 221 Q C -2.165 173.247 176.000 -0.980 0.000 1.064 221 Q CA -2.126 53.224 55.803 -0.755 0.000 0.800 221 Q CB 2.432 31.002 28.738 -0.280 0.000 1.304 221 Q HN 0.434 nan 8.270 nan 0.000 0.438 222 P HA -0.083 nan 4.420 nan 0.000 0.216 222 P C 0.328 177.564 177.300 -0.105 0.000 1.150 222 P CA 1.479 64.426 63.100 -0.255 0.000 0.843 222 P CB 0.384 32.038 31.700 -0.075 0.000 0.787 223 G N -1.734 106.999 108.800 -0.111 0.000 3.774 223 G HA2 0.430 4.390 3.960 -0.000 0.000 0.287 223 G HA3 0.430 4.390 3.960 -0.000 0.000 0.287 223 G C 0.413 175.290 174.900 -0.038 0.000 1.030 223 G CA 0.098 45.171 45.100 -0.045 0.000 0.824 223 G HN 0.388 nan 8.290 nan 0.000 0.518 224 G N -0.842 107.919 108.800 -0.065 0.000 2.667 224 G HA2 0.525 4.485 3.960 -0.000 0.000 0.310 224 G HA3 0.525 4.485 3.960 -0.000 0.000 0.310 224 G C 0.037 174.960 174.900 0.039 0.000 1.259 224 G CA -0.430 44.650 45.100 -0.035 0.000 1.019 224 G HN 0.925 nan 8.290 nan 0.000 0.496 225 V N -0.989 118.968 119.914 0.072 0.000 4.955 225 V HA -0.174 3.946 4.120 -0.000 0.000 0.387 225 V C 0.082 176.259 176.094 0.137 0.000 0.686 225 V CA 0.908 63.305 62.300 0.162 0.000 1.517 225 V CB -2.338 29.681 31.823 0.326 0.000 1.817 225 V HN 0.940 nan 8.190 nan 0.000 0.470 226 T N 6.278 120.896 114.554 0.106 0.000 2.824 226 T HA 0.831 5.181 4.350 -0.000 0.000 0.282 226 T C -0.034 174.726 174.700 0.100 0.000 0.993 226 T CA -0.207 61.942 62.100 0.081 0.000 0.967 226 T CB 1.863 70.762 68.868 0.052 0.000 0.960 226 T HN 0.924 nan 8.240 nan 0.000 0.441 227 I N -0.707 119.927 120.570 0.106 0.000 2.785 227 I HA 0.695 4.865 4.170 -0.000 0.000 0.302 227 I C -0.402 175.761 176.117 0.076 0.000 1.069 227 I CA -0.889 60.481 61.300 0.118 0.000 1.045 227 I CB 2.285 40.402 38.000 0.196 0.000 1.236 227 I HN 0.317 nan 8.210 nan 0.000 0.429 228 T N 5.291 119.870 114.554 0.042 0.000 2.811 228 T HA 0.229 4.579 4.350 -0.000 0.000 0.309 228 T C 0.767 175.465 174.700 -0.003 0.000 1.005 228 T CA -0.256 61.840 62.100 -0.006 0.000 0.955 228 T CB 1.012 69.856 68.868 -0.040 0.000 0.970 228 T HN 0.600 nan 8.240 nan 0.000 0.496 229 L N 4.571 125.795 121.223 0.002 0.000 2.056 229 L HA 0.244 4.584 4.340 -0.000 0.000 0.207 229 L C 0.220 177.156 176.870 0.110 0.000 1.078 229 L CA 1.737 56.605 54.840 0.046 0.000 0.749 229 L CB -0.281 41.872 42.059 0.156 0.000 0.901 229 L HN 0.714 nan 8.230 nan 0.000 0.433 230 F N -3.286 116.653 119.950 -0.019 0.000 2.713 230 F HA 0.650 5.177 4.527 -0.000 0.000 0.311 230 F C -0.729 175.062 175.800 -0.014 0.000 1.141 230 F CA -0.906 57.075 58.000 -0.032 0.000 0.939 230 F CB 0.739 39.711 39.000 -0.047 0.000 1.325 230 F HN -0.306 nan 8.300 nan 0.000 0.453 231 S N 1.170 116.985 115.700 0.192 0.000 2.575 231 S HA 0.893 5.363 4.470 -0.000 0.000 0.278 231 S C -1.512 173.210 174.600 0.204 0.000 1.139 231 S CA 0.090 58.341 58.200 0.086 0.000 0.954 231 S CB 1.251 64.449 63.200 -0.003 0.000 1.054 231 S HN 1.664 nan 8.310 nan 0.000 0.483 232 A N 3.858 126.782 122.820 0.173 0.000 2.486 232 A HA 0.713 5.033 4.320 -0.000 0.000 0.300 232 A C -1.182 176.390 177.584 -0.021 0.000 1.048 232 A CA -0.891 51.195 52.037 0.082 0.000 0.696 232 A CB 1.063 20.112 19.000 0.082 0.000 1.278 232 A HN 0.715 nan 8.150 nan 0.000 0.405 233 N N 1.439 120.109 118.700 -0.050 0.000 2.442 233 N HA 0.521 5.261 4.740 -0.000 0.000 0.265 233 N C -0.231 175.147 175.510 -0.220 0.000 1.138 233 N CA 0.275 53.279 53.050 -0.076 0.000 0.956 233 N CB 0.476 38.953 38.487 -0.016 0.000 1.067 233 N HN 0.739 nan 8.380 nan 0.000 0.474 234 I N -2.152 118.263 120.570 -0.258 0.000 3.174 234 I HA 0.617 4.787 4.170 -0.000 0.000 0.313 234 I C -1.054 175.010 176.117 -0.088 0.000 1.155 234 I CA -0.961 60.040 61.300 -0.497 0.000 0.977 234 I CB 2.680 40.218 38.000 -0.771 0.000 1.248 234 I HN 0.026 nan 8.210 nan 0.000 0.453 235 D N 2.113 122.572 120.400 0.098 0.000 2.646 235 D HA 0.718 5.358 4.640 -0.000 0.000 0.245 235 D C -1.173 175.212 176.300 0.141 0.000 1.099 235 D CA -0.230 53.858 54.000 0.146 0.000 0.849 235 D CB 2.399 43.316 40.800 0.195 0.000 1.448 235 D HN 0.904 nan 8.370 nan 0.000 0.489 236 A N 2.008 124.876 122.820 0.081 0.000 2.517 236 A HA 0.531 4.851 4.320 -0.000 0.000 0.297 236 A C -0.201 177.386 177.584 0.005 0.000 1.050 236 A CA -0.516 51.554 52.037 0.055 0.000 0.694 236 A CB 0.926 19.958 19.000 0.054 0.000 1.277 236 A HN 0.552 nan 8.150 nan 0.000 0.400 237 I N 0.509 121.066 120.570 -0.022 0.000 4.124 237 I HA 0.118 4.288 4.170 -0.000 0.000 0.311 237 I C 1.284 177.389 176.117 -0.021 0.000 1.259 237 I CA 1.074 62.320 61.300 -0.091 0.000 1.315 237 I CB 0.645 38.490 38.000 -0.259 0.000 1.223 237 I HN 0.790 nan 8.210 nan 0.000 0.441 238 T N -1.398 113.183 114.554 0.045 0.000 2.804 238 T HA 0.407 4.757 4.350 -0.000 0.000 0.272 238 T C 0.335 175.086 174.700 0.085 0.000 0.986 238 T CA -0.485 61.661 62.100 0.076 0.000 0.999 238 T CB 1.151 70.094 68.868 0.124 0.000 1.307 238 T HN 0.132 nan 8.240 nan 0.000 0.586 239 S N 0.636 116.403 115.700 0.113 0.000 2.561 239 S HA 0.353 4.823 4.470 -0.000 0.000 0.294 239 S C 0.057 174.771 174.600 0.191 0.000 1.294 239 S CA -0.418 57.877 58.200 0.158 0.000 1.055 239 S CB -1.011 62.300 63.200 0.186 0.000 0.819 239 S HN 1.163 nan 8.310 nan 0.000 0.503 240 L N -0.417 120.881 121.223 0.124 0.000 2.403 240 L HA 0.958 5.298 4.340 -0.000 0.000 0.253 240 L C -0.626 176.257 176.870 0.021 0.000 1.045 240 L CA -1.019 53.797 54.840 -0.039 0.000 0.845 240 L CB 1.860 43.907 42.059 -0.019 0.000 1.447 240 L HN 0.852 nan 8.230 nan 0.000 0.411 241 S N -0.292 115.376 115.700 -0.052 0.000 2.569 241 S HA 0.883 5.353 4.470 -0.000 0.000 0.280 241 S C -1.089 173.539 174.600 0.045 0.000 1.111 241 S CA -0.680 57.550 58.200 0.051 0.000 0.887 241 S CB 1.962 65.238 63.200 0.126 0.000 1.095 241 S HN 0.657 nan 8.310 nan 0.000 0.476 242 V N 1.472 121.441 119.914 0.090 0.000 2.487 242 V HA 0.847 4.967 4.120 -0.000 0.000 0.298 242 V C 0.692 176.871 176.094 0.142 0.000 1.028 242 V CA 0.002 62.368 62.300 0.110 0.000 0.860 242 V CB 1.220 33.142 31.823 0.165 0.000 0.991 242 V HN 1.251 nan 8.190 nan 0.000 0.427 243 G N 1.761 110.618 108.800 0.095 0.000 2.714 243 G HA2 0.906 4.866 3.960 -0.000 0.000 0.292 243 G HA3 0.906 4.866 3.960 -0.000 0.000 0.292 243 G C -0.148 174.788 174.900 0.061 0.000 1.308 243 G CA -0.225 44.940 45.100 0.108 0.000 0.964 243 G HN 1.495 nan 8.290 nan 0.000 0.484 244 G N -1.137 107.716 108.800 0.087 0.000 2.422 244 G HA2 0.348 4.308 3.960 -0.000 0.000 0.607 244 G HA3 0.348 4.308 3.960 -0.000 0.000 0.607 244 G C -0.982 174.007 174.900 0.148 0.000 1.270 244 G CA 0.057 45.179 45.100 0.036 0.000 0.992 244 G HN 0.928 nan 8.290 nan 0.000 0.499 245 E N -1.174 119.079 120.200 0.089 0.000 2.354 245 E HA 0.558 4.908 4.350 -0.000 0.000 0.283 245 E C -0.952 175.707 176.600 0.098 0.000 0.938 245 E CA -0.773 55.739 56.400 0.187 0.000 0.777 245 E CB 1.599 31.367 29.700 0.113 0.000 1.222 245 E HN 0.602 nan 8.360 nan 0.000 0.423 246 L N 2.942 124.276 121.223 0.186 0.000 2.325 246 L HA 0.632 4.972 4.340 -0.000 0.000 0.278 246 L C -0.676 176.145 176.870 -0.082 0.000 1.023 246 L CA -1.110 53.717 54.840 -0.022 0.000 0.811 246 L CB 1.792 43.837 42.059 -0.025 0.000 1.249 246 L HN 0.297 nan 8.230 nan 0.000 0.431 247 V N 2.601 122.363 119.914 -0.252 0.000 2.448 247 V HA 0.449 4.569 4.120 -0.000 0.000 0.295 247 V C -0.695 175.206 176.094 -0.321 0.000 1.025 247 V CA -0.442 61.773 62.300 -0.142 0.000 0.859 247 V CB 1.631 33.423 31.823 -0.052 0.000 0.988 247 V HN 0.370 nan 8.190 nan 0.000 0.431 248 F N 4.303 124.247 119.950 -0.009 0.000 2.469 248 F HA 0.717 5.244 4.527 -0.000 0.000 0.332 248 F C 0.539 176.366 175.800 0.046 0.000 1.103 248 F CA -0.695 57.300 58.000 -0.008 0.000 0.979 248 F CB 1.713 40.608 39.000 -0.174 0.000 1.137 248 F HN 0.250 nan 8.300 nan 0.000 0.463 249 R N 1.139 121.808 120.500 0.280 0.000 2.740 249 R HA 0.758 5.098 4.340 -0.000 0.000 0.282 249 R C -0.835 175.617 176.300 0.253 0.000 0.969 249 R CA -0.804 55.418 56.100 0.204 0.000 0.918 249 R CB 2.163 32.549 30.300 0.143 0.000 1.175 249 R HN 0.695 nan 8.270 nan 0.000 0.464 250 T N -1.030 113.624 114.554 0.166 0.000 2.885 250 T HA 0.233 4.583 4.350 -0.000 0.000 0.322 250 T C 0.011 174.735 174.700 0.040 0.000 1.387 250 T CA -0.401 61.790 62.100 0.152 0.000 1.041 250 T CB 1.444 70.433 68.868 0.202 0.000 1.287 250 T HN 0.450 nan 8.240 nan 0.000 0.491 251 S N 0.949 116.660 115.700 0.019 0.000 2.511 251 S HA 0.242 4.712 4.470 -0.000 0.000 0.214 251 S C 0.411 174.933 174.600 -0.130 0.000 0.997 251 S CA -0.123 58.047 58.200 -0.051 0.000 0.908 251 S CB 0.359 63.553 63.200 -0.010 0.000 0.803 251 S HN 0.594 nan 8.310 nan 0.000 0.504 252 V N 3.808 123.682 119.914 -0.068 0.000 2.439 252 V HA 0.291 4.411 4.120 -0.000 0.000 0.282 252 V C 0.035 176.072 176.094 -0.096 0.000 1.039 252 V CA -0.818 61.457 62.300 -0.041 0.000 0.913 252 V CB 0.630 32.492 31.823 0.066 0.000 0.983 252 V HN 0.414 nan 8.190 nan 0.000 0.460 253 H N 2.835 121.936 119.070 0.052 0.000 2.562 253 H HA 0.345 4.901 4.556 -0.000 0.000 0.352 253 H C 1.261 176.611 175.328 0.037 0.000 1.125 253 H CA 0.823 56.895 56.048 0.040 0.000 1.379 253 H CB 1.381 31.157 29.762 0.023 0.000 1.464 253 H HN 1.015 nan 8.280 nan 0.000 0.563 254 G N 2.697 111.589 108.800 0.152 0.000 2.176 254 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.252 254 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.252 254 G C 0.076 175.022 174.900 0.076 0.000 1.024 254 G CA -0.165 44.990 45.100 0.092 0.000 0.755 254 G HN 0.464 nan 8.290 nan 0.000 0.507 255 L N -0.032 121.238 121.223 0.079 0.000 2.349 255 L HA 0.570 4.910 4.340 -0.000 0.000 0.275 255 L C 0.470 177.351 176.870 0.019 0.000 1.115 255 L CA -0.805 54.085 54.840 0.083 0.000 0.820 255 L CB 1.560 43.700 42.059 0.136 0.000 1.135 255 L HN -0.041 nan 8.230 nan 0.000 0.445 256 V N 5.009 124.927 119.914 0.007 0.000 2.448 256 V HA 0.428 4.548 4.120 -0.000 0.000 0.295 256 V C 0.031 176.062 176.094 -0.105 0.000 1.025 256 V CA -0.485 61.786 62.300 -0.049 0.000 0.859 256 V CB 2.114 33.925 31.823 -0.020 0.000 0.988 256 V HN 0.518 nan 8.190 nan 0.000 0.431 257 L N 3.960 125.059 121.223 -0.206 0.000 2.317 257 L HA 0.809 5.149 4.340 -0.000 0.000 0.281 257 L C 0.598 177.327 176.870 -0.234 0.000 1.024 257 L CA -0.317 54.339 54.840 -0.306 0.000 0.810 257 L CB 1.911 43.606 42.059 -0.607 0.000 1.240 257 L HN 0.774 nan 8.230 nan 0.000 0.427 258 G N 1.710 110.396 108.800 -0.190 0.000 2.452 258 G HA2 0.770 4.730 3.960 -0.000 0.000 0.324 258 G HA3 0.770 4.730 3.960 -0.000 0.000 0.324 258 G C -1.396 173.414 174.900 -0.149 0.000 1.214 258 G CA -0.393 44.619 45.100 -0.147 0.000 0.947 258 G HN 0.737 nan 8.290 nan 0.000 0.478 259 A N 1.121 123.855 122.820 -0.142 0.000 2.488 259 A HA 0.866 5.186 4.320 -0.000 0.000 0.298 259 A C -0.461 177.044 177.584 -0.131 0.000 1.044 259 A CA -0.570 51.401 52.037 -0.110 0.000 0.693 259 A CB 1.868 20.805 19.000 -0.105 0.000 1.272 259 A HN 0.785 nan 8.150 nan 0.000 0.402 260 T N 2.437 116.922 114.554 -0.116 0.000 2.886 260 T HA 0.550 4.900 4.350 -0.000 0.000 0.292 260 T C -0.585 173.949 174.700 -0.276 0.000 1.012 260 T CA -0.231 61.715 62.100 -0.256 0.000 0.982 260 T CB 1.112 69.751 68.868 -0.382 0.000 1.018 260 T HN 0.509 nan 8.240 nan 0.000 0.451 261 I N 3.025 123.418 120.570 -0.294 0.000 2.359 261 I HA 0.403 4.573 4.170 -0.000 0.000 0.294 261 I C -1.063 174.842 176.117 -0.354 0.000 0.987 261 I CA -0.787 60.403 61.300 -0.183 0.000 1.225 261 I CB 1.079 39.089 38.000 0.017 0.000 1.366 261 I HN 0.629 nan 8.210 nan 0.000 0.466 262 Y N 6.236 126.510 120.300 -0.045 0.000 2.364 262 Y HA 0.496 5.046 4.550 -0.000 0.000 0.340 262 Y C -0.296 175.582 175.900 -0.038 0.000 0.975 262 Y CA -0.728 57.347 58.100 -0.041 0.000 1.089 262 Y CB 1.537 39.964 38.460 -0.055 0.000 1.192 262 Y HN 0.295 nan 8.280 nan 0.000 0.454 263 L N 5.252 126.542 121.223 0.112 0.000 2.287 263 L HA 0.465 4.805 4.340 -0.000 0.000 0.287 263 L C -0.830 176.076 176.870 0.059 0.000 1.022 263 L CA -0.596 54.282 54.840 0.064 0.000 0.814 263 L CB 0.743 42.824 42.059 0.037 0.000 1.217 263 L HN 0.477 nan 8.230 nan 0.000 0.420 264 I N 2.427 123.019 120.570 0.037 0.000 2.392 264 I HA 0.398 4.568 4.170 -0.000 0.000 0.295 264 I C 0.908 177.036 176.117 0.018 0.000 0.985 264 I CA -0.226 61.085 61.300 0.018 0.000 1.221 264 I CB 1.402 39.396 38.000 -0.010 0.000 1.366 264 I HN 0.557 nan 8.210 nan 0.000 0.467 265 G N 3.375 112.187 108.800 0.019 0.000 2.599 265 G HA2 0.165 4.125 3.960 -0.000 0.000 0.264 265 G HA3 0.165 4.125 3.960 -0.000 0.000 0.264 265 G C 0.467 175.414 174.900 0.079 0.000 1.200 265 G CA -0.334 44.796 45.100 0.051 0.000 0.896 265 G HN 0.595 nan 8.290 nan 0.000 0.536 266 F N 0.708 120.639 119.950 -0.032 0.000 2.192 266 F HA -0.169 4.358 4.527 -0.000 0.000 0.301 266 F C 2.167 177.881 175.800 -0.144 0.000 1.079 266 F CA 2.049 59.958 58.000 -0.152 0.000 1.303 266 F CB 0.233 39.018 39.000 -0.358 0.000 1.024 266 F HN 0.440 nan 8.300 nan 0.000 0.494 267 D N -1.039 119.350 120.400 -0.019 0.000 2.325 267 D HA 0.153 4.793 4.640 -0.000 0.000 0.225 267 D C 1.783 178.055 176.300 -0.047 0.000 1.096 267 D CA 0.677 54.662 54.000 -0.024 0.000 0.844 267 D CB -0.601 40.350 40.800 0.251 0.000 0.925 267 D HN 0.402 nan 8.370 nan 0.000 0.513 268 G N -0.610 108.141 108.800 -0.082 0.000 2.184 268 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 268 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 268 G C 0.480 175.357 174.900 -0.038 0.000 0.975 268 G CA 0.507 45.563 45.100 -0.073 0.000 0.642 268 G HN 0.514 nan 8.290 nan 0.000 0.536 269 T N 1.637 116.190 114.554 -0.001 0.000 2.910 269 T HA 0.507 4.857 4.350 -0.000 0.000 0.293 269 T C 0.703 175.408 174.700 0.009 0.000 1.015 269 T CA 0.628 62.736 62.100 0.012 0.000 1.094 269 T CB 0.838 69.736 68.868 0.050 0.000 0.968 269 T HN 0.193 nan 8.240 nan 0.000 0.521 270 T N 3.543 118.105 114.554 0.014 0.000 2.752 270 T HA 0.158 4.507 4.350 -0.000 0.000 0.295 270 T C 1.453 176.179 174.700 0.044 0.000 0.923 270 T CA -0.480 61.648 62.100 0.046 0.000 1.112 270 T CB 0.717 69.637 68.868 0.087 0.000 0.884 270 T HN 0.361 nan 8.240 nan 0.000 0.525 271 V N 4.096 124.031 119.914 0.035 0.000 2.492 271 V HA 0.272 4.392 4.120 -0.000 0.000 0.241 271 V C 0.697 176.804 176.094 0.022 0.000 1.041 271 V CA 0.912 63.217 62.300 0.008 0.000 1.057 271 V CB -0.027 31.785 31.823 -0.019 0.000 0.711 271 V HN 0.725 nan 8.190 nan 0.000 0.468 272 I N -0.356 120.236 120.570 0.038 0.000 2.619 272 I HA 0.423 4.593 4.170 -0.000 0.000 0.292 272 I C -0.594 175.537 176.117 0.023 0.000 1.100 272 I CA -0.054 61.260 61.300 0.024 0.000 1.043 272 I CB 2.439 40.446 38.000 0.011 0.000 1.239 272 I HN 0.043 nan 8.210 nan 0.000 0.420 273 T N 5.713 120.254 114.554 -0.022 0.000 2.840 273 T HA 0.575 4.925 4.350 -0.000 0.000 0.287 273 T C -0.989 173.607 174.700 -0.172 0.000 0.991 273 T CA -0.669 61.345 62.100 -0.144 0.000 0.964 273 T CB 0.681 69.506 68.868 -0.071 0.000 0.954 273 T HN 0.414 nan 8.240 nan 0.000 0.438 274 R N 3.344 123.702 120.500 -0.238 0.000 2.451 274 R HA 0.601 4.941 4.340 -0.000 0.000 0.307 274 R C -0.269 175.904 176.300 -0.211 0.000 0.965 274 R CA -0.692 55.306 56.100 -0.170 0.000 0.865 274 R CB 1.540 31.779 30.300 -0.101 0.000 1.174 274 R HN 0.845 nan 8.270 nan 0.000 0.455 275 A N 2.829 125.542 122.820 -0.179 0.000 2.491 275 A HA 0.189 4.509 4.320 -0.000 0.000 0.261 275 A C 1.087 178.564 177.584 -0.180 0.000 1.101 275 A CA -0.195 51.737 52.037 -0.175 0.000 0.772 275 A CB 0.355 19.275 19.000 -0.132 0.000 1.043 275 A HN 0.528 nan 8.150 nan 0.000 0.501 276 V N 2.013 121.791 119.914 -0.226 0.000 2.825 276 V HA 0.342 4.462 4.120 -0.000 0.000 0.246 276 V C 1.120 177.026 176.094 -0.313 0.000 1.068 276 V CA 1.703 63.805 62.300 -0.329 0.000 1.088 276 V CB -0.144 31.353 31.823 -0.543 0.000 0.733 276 V HN 1.176 nan 8.190 nan 0.000 0.468 277 A N -0.251 122.421 122.820 -0.246 0.000 2.485 277 A HA 0.820 5.140 4.320 -0.000 0.000 0.285 277 A C -0.703 176.782 177.584 -0.164 0.000 1.045 277 A CA 0.202 52.119 52.037 -0.201 0.000 0.792 277 A CB 1.065 19.933 19.000 -0.220 0.000 1.307 277 A HN 0.407 nan 8.150 nan 0.000 0.406 278 A N 2.295 125.038 122.820 -0.130 0.000 2.340 278 A HA 0.784 5.104 4.320 -0.000 0.000 0.331 278 A C 0.344 177.871 177.584 -0.095 0.000 1.140 278 A CA -0.120 51.854 52.037 -0.105 0.000 0.801 278 A CB 0.299 19.249 19.000 -0.083 0.000 1.234 278 A HN 2.285 nan 8.150 nan 0.000 0.469 279 N N 1.016 119.666 118.700 -0.084 0.000 2.558 279 N HA -0.223 4.517 4.740 -0.000 0.000 0.302 279 N C -0.913 174.547 175.510 -0.082 0.000 1.322 279 N CA 1.035 54.043 53.050 -0.070 0.000 0.687 279 N CB -0.390 38.069 38.487 -0.047 0.000 0.992 279 N HN 0.774 nan 8.380 nan 0.000 0.524 280 N N 2.473 121.111 118.700 -0.103 0.000 2.621 280 N HA 0.315 5.055 4.740 -0.000 0.000 0.271 280 N C -0.351 175.089 175.510 -0.116 0.000 1.181 280 N CA 0.151 53.132 53.050 -0.116 0.000 0.805 280 N CB 0.999 39.388 38.487 -0.164 0.000 1.351 280 N HN 0.576 nan 8.380 nan 0.000 0.539 281 G N 2.339 111.096 108.800 -0.071 0.000 2.441 281 G HA2 0.366 4.326 3.960 -0.000 0.000 0.243 281 G HA3 0.366 4.326 3.960 -0.000 0.000 0.243 281 G C -0.026 174.843 174.900 -0.052 0.000 1.281 281 G CA -0.120 44.951 45.100 -0.048 0.000 0.854 281 G HN 0.541 nan 8.290 nan 0.000 0.560 282 L N 1.875 123.074 121.223 -0.041 0.000 2.295 282 L HA 0.350 4.690 4.340 -0.000 0.000 0.285 282 L C 0.427 177.306 176.870 0.015 0.000 1.035 282 L CA -0.703 54.122 54.840 -0.025 0.000 0.806 282 L CB 1.746 43.785 42.059 -0.033 0.000 1.214 282 L HN 0.392 nan 8.230 nan 0.000 0.426 283 T N 0.666 115.235 114.554 0.024 0.000 2.882 283 T HA 0.222 4.572 4.350 -0.000 0.000 0.287 283 T C 0.321 175.033 174.700 0.019 0.000 0.992 283 T CA -0.463 61.659 62.100 0.036 0.000 1.076 283 T CB 1.266 70.158 68.868 0.041 0.000 0.961 283 T HN 0.484 nan 8.240 nan 0.000 0.490 284 T N 2.282 116.830 114.554 -0.011 0.000 2.919 284 T HA 0.419 4.769 4.350 -0.000 0.000 0.302 284 T C 1.436 176.137 174.700 0.001 0.000 1.031 284 T CA 0.694 62.754 62.100 -0.067 0.000 1.127 284 T CB 0.435 69.163 68.868 -0.234 0.000 0.952 284 T HN 1.009 nan 8.240 nan 0.000 0.540 285 G N 2.837 111.641 108.800 0.008 0.000 2.179 285 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 285 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 285 G C 0.194 175.114 174.900 0.035 0.000 1.010 285 G CA 0.359 45.474 45.100 0.026 0.000 0.736 285 G HN 0.920 nan 8.290 nan 0.000 0.513 286 T N -0.250 114.329 114.554 0.041 0.000 2.883 286 T HA 0.485 4.835 4.350 -0.000 0.000 0.301 286 T C -0.917 173.816 174.700 0.055 0.000 1.158 286 T CA -0.854 61.272 62.100 0.043 0.000 1.007 286 T CB 1.880 70.772 68.868 0.040 0.000 1.186 286 T HN 0.071 nan 8.240 nan 0.000 0.499 287 D N 2.226 122.657 120.400 0.051 0.000 2.425 287 D HA 0.173 4.813 4.640 -0.000 0.000 0.247 287 D C -0.312 176.029 176.300 0.068 0.000 1.147 287 D CA 0.305 54.341 54.000 0.060 0.000 0.879 287 D CB 0.350 41.177 40.800 0.044 0.000 1.179 287 D HN 0.378 nan 8.370 nan 0.000 0.456 288 N N 1.718 120.479 118.700 0.101 0.000 2.476 288 N HA 0.279 5.019 4.740 -0.000 0.000 0.257 288 N C -0.586 175.011 175.510 0.145 0.000 0.970 288 N CA -0.477 52.636 53.050 0.103 0.000 0.938 288 N CB 1.280 39.825 38.487 0.097 0.000 1.144 288 N HN 0.165 nan 8.380 nan 0.000 0.500 289 L N 1.764 123.044 121.223 0.094 0.000 2.326 289 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 289 L C 0.104 177.038 176.870 0.106 0.000 1.092 289 L CA -0.158 54.741 54.840 0.099 0.000 0.810 289 L CB 0.901 42.996 42.059 0.061 0.000 1.153 289 L HN 0.466 nan 8.230 nan 0.000 0.439 290 M N 5.656 125.350 119.600 0.156 0.000 1.987 290 M HA 0.392 4.872 4.480 -0.000 0.000 0.298 290 M C -2.607 173.765 176.300 0.121 0.000 0.892 290 M CA -1.616 53.752 55.300 0.112 0.000 0.885 290 M CB 1.580 34.319 32.600 0.231 0.000 1.469 290 M HN 0.198 nan 8.290 nan 0.000 0.389 291 P HA 0.309 nan 4.420 nan 0.000 0.276 291 P C -1.341 175.962 177.300 0.005 0.000 1.244 291 P CA -0.026 63.138 63.100 0.106 0.000 0.801 291 P CB 0.489 32.216 31.700 0.046 0.000 1.006 292 F N 1.377 121.341 119.950 0.024 0.000 2.427 292 F HA 0.366 4.893 4.527 -0.000 0.000 0.348 292 F C 0.790 176.602 175.800 0.021 0.000 1.125 292 F CA -0.137 57.878 58.000 0.024 0.000 0.989 292 F CB 0.916 39.938 39.000 0.037 0.000 1.165 292 F HN 0.127 nan 8.300 nan 0.000 0.442 293 N N 5.390 124.147 118.700 0.096 0.000 2.679 293 N HA 0.247 4.987 4.740 -0.000 0.000 0.302 293 N C -1.110 174.435 175.510 0.059 0.000 1.941 293 N CA -0.057 53.037 53.050 0.073 0.000 0.875 293 N CB 1.131 39.637 38.487 0.031 0.000 1.278 293 N HN 0.437 nan 8.380 nan 0.000 0.490 294 L N 0.916 122.196 121.223 0.094 0.000 2.289 294 L HA 0.543 4.883 4.340 -0.000 0.000 0.285 294 L C -0.048 176.870 176.870 0.079 0.000 1.049 294 L CA -0.794 54.090 54.840 0.073 0.000 0.804 294 L CB 1.754 43.868 42.059 0.092 0.000 1.195 294 L HN -0.199 nan 8.230 nan 0.000 0.428 295 V N 4.820 124.773 119.914 0.064 0.000 2.444 295 V HA 0.392 4.512 4.120 -0.000 0.000 0.294 295 V C -0.257 175.875 176.094 0.063 0.000 1.022 295 V CA -0.377 61.971 62.300 0.080 0.000 0.850 295 V CB 2.112 33.980 31.823 0.074 0.000 0.992 295 V HN 0.461 nan 8.190 nan 0.000 0.426 296 I N 8.546 129.160 120.570 0.075 0.000 2.328 296 I HA 0.419 4.589 4.170 -0.000 0.000 0.287 296 I C -2.117 174.040 176.117 0.066 0.000 1.012 296 I CA -1.867 59.467 61.300 0.056 0.000 1.195 296 I CB 1.920 39.948 38.000 0.047 0.000 1.350 296 I HN 0.437 nan 8.210 nan 0.000 0.464 297 P HA 0.139 nan 4.420 nan 0.000 0.274 297 P C 0.633 177.958 177.300 0.040 0.000 1.231 297 P CA -0.234 62.892 63.100 0.043 0.000 0.790 297 P CB 0.824 32.540 31.700 0.026 0.000 0.951 298 T N 1.059 115.639 114.554 0.043 0.000 2.653 298 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 298 T C 1.613 176.328 174.700 0.024 0.000 1.035 298 T CA 2.111 64.233 62.100 0.038 0.000 1.154 298 T CB -0.916 67.977 68.868 0.041 0.000 0.862 298 T HN 0.646 nan 8.240 nan 0.000 0.441 299 N N 1.374 120.087 118.700 0.022 0.000 2.443 299 N HA -0.155 4.585 4.740 -0.000 0.000 0.184 299 N C 1.385 176.905 175.510 0.016 0.000 1.037 299 N CA 1.007 54.068 53.050 0.019 0.000 0.896 299 N CB -0.212 38.285 38.487 0.018 0.000 0.959 299 N HN 0.509 nan 8.380 nan 0.000 0.442 300 E N 0.177 120.386 120.200 0.015 0.000 2.371 300 E HA 0.158 4.508 4.350 -0.000 0.000 0.194 300 E C 0.167 176.768 176.600 0.002 0.000 1.012 300 E CA 0.086 56.492 56.400 0.010 0.000 0.860 300 E CB 0.215 29.922 29.700 0.012 0.000 0.811 300 E HN 0.441 nan 8.360 nan 0.000 0.502 301 I N 2.344 122.913 120.570 -0.002 0.000 2.260 301 I HA -0.021 4.149 4.170 -0.000 0.000 0.297 301 I C 1.396 177.485 176.117 -0.046 0.000 1.143 301 I CA -0.069 61.218 61.300 -0.022 0.000 1.271 301 I CB 0.717 38.709 38.000 -0.014 0.000 1.461 301 I HN 0.034 nan 8.210 nan 0.000 0.530 302 T N 1.605 116.118 114.554 -0.068 0.000 3.085 302 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 302 T C 0.523 175.064 174.700 -0.265 0.000 1.127 302 T CA 0.315 62.365 62.100 -0.082 0.000 1.103 302 T CB -0.082 68.764 68.868 -0.037 0.000 0.921 302 T HN 0.695 nan 8.240 nan 0.000 0.510 303 Q N -0.649 118.934 119.800 -0.361 0.000 2.522 303 Q HA 0.539 4.879 4.340 -0.000 0.000 0.285 303 Q C -3.487 172.386 176.000 -0.212 0.000 0.982 303 Q CA -2.530 52.930 55.803 -0.573 0.000 0.805 303 Q CB 0.780 28.698 28.738 -1.367 0.000 1.457 303 Q HN -0.120 nan 8.270 nan 0.000 0.394 304 P HA -0.024 nan 4.420 nan 0.000 0.261 304 P C -0.577 176.753 177.300 0.049 0.000 1.173 304 P CA 0.236 63.359 63.100 0.039 0.000 0.760 304 P CB 0.249 32.063 31.700 0.190 0.000 0.783 305 I N 3.161 123.751 120.570 0.034 0.000 2.474 305 I HA 0.072 4.242 4.170 -0.000 0.000 0.287 305 I C 1.536 177.691 176.117 0.065 0.000 1.048 305 I CA 0.688 62.012 61.300 0.039 0.000 1.383 305 I CB 0.414 38.429 38.000 0.025 0.000 1.412 305 I HN 0.350 nan 8.210 nan 0.000 0.531 306 T N 3.271 117.862 114.554 0.062 0.000 2.954 306 T HA 0.128 4.478 4.350 -0.000 0.000 0.252 306 T C 0.430 175.139 174.700 0.015 0.000 0.983 306 T CA 0.287 62.431 62.100 0.073 0.000 0.941 306 T CB 0.360 69.308 68.868 0.133 0.000 1.141 306 T HN 0.805 nan 8.240 nan 0.000 0.500 307 S N 0.114 115.812 115.700 -0.004 0.000 2.588 307 S HA 0.717 5.187 4.470 -0.000 0.000 0.269 307 S C -1.480 173.112 174.600 -0.014 0.000 1.157 307 S CA -0.940 57.244 58.200 -0.026 0.000 0.824 307 S CB 1.837 65.024 63.200 -0.022 0.000 1.126 307 S HN 0.274 nan 8.310 nan 0.000 0.464 308 I N 1.283 121.849 120.570 -0.007 0.000 2.545 308 I HA 0.706 4.876 4.170 -0.000 0.000 0.292 308 I C -1.290 174.808 176.117 -0.031 0.000 1.040 308 I CA -0.701 60.609 61.300 0.016 0.000 1.068 308 I CB 1.708 39.740 38.000 0.053 0.000 1.251 308 I HN 1.011 nan 8.210 nan 0.000 0.424 309 K N 6.388 126.732 120.400 -0.092 0.000 2.477 309 K HA 0.652 4.972 4.320 -0.000 0.000 0.255 309 K C -2.013 174.404 176.600 -0.305 0.000 0.952 309 K CA -0.966 55.142 56.287 -0.298 0.000 0.826 309 K CB 2.439 34.837 32.500 -0.169 0.000 1.331 309 K HN 0.467 nan 8.250 nan 0.000 0.437 310 L N 1.165 122.023 121.223 -0.608 0.000 2.349 310 L HA 0.433 4.773 4.340 -0.000 0.000 0.278 310 L C -1.170 175.631 176.870 -0.114 0.000 0.996 310 L CA -0.000 54.657 54.840 -0.305 0.000 0.825 310 L CB 1.727 43.568 42.059 -0.364 0.000 1.243 310 L HN 0.775 nan 8.230 nan 0.000 0.412 311 E N 5.186 125.421 120.200 0.058 0.000 2.204 311 E HA 0.570 4.920 4.350 -0.000 0.000 0.276 311 E C -1.137 175.501 176.600 0.064 0.000 0.974 311 E CA -0.602 55.851 56.400 0.089 0.000 0.815 311 E CB 2.312 32.132 29.700 0.200 0.000 1.119 311 E HN 0.542 nan 8.360 nan 0.000 0.393 312 I N 2.297 122.904 120.570 0.061 0.000 2.466 312 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 312 I C -0.797 175.324 176.117 0.006 0.000 1.026 312 I CA -1.012 60.297 61.300 0.015 0.000 1.078 312 I CB 1.920 39.941 38.000 0.035 0.000 1.249 312 I HN 0.172 nan 8.210 nan 0.000 0.429 313 V N 4.329 124.221 119.914 -0.036 0.000 2.394 313 V HA 0.468 4.588 4.120 -0.000 0.000 0.282 313 V C 0.090 176.157 176.094 -0.044 0.000 1.031 313 V CA -0.401 61.888 62.300 -0.018 0.000 0.881 313 V CB 1.391 33.207 31.823 -0.011 0.000 0.982 313 V HN 0.728 nan 8.190 nan 0.000 0.451 314 T N 3.506 118.069 114.554 0.014 0.000 2.797 314 T HA 0.667 5.017 4.350 -0.000 0.000 0.279 314 T C -0.189 174.584 174.700 0.121 0.000 0.991 314 T CA -0.422 61.722 62.100 0.074 0.000 0.979 314 T CB 1.558 70.532 68.868 0.177 0.000 0.943 314 T HN 0.701 nan 8.240 nan 0.000 0.444 315 S N 1.786 117.558 115.700 0.119 0.000 2.618 315 S HA 0.649 5.119 4.470 -0.000 0.000 0.277 315 S C -1.067 173.646 174.600 0.187 0.000 1.138 315 S CA -0.981 57.311 58.200 0.154 0.000 0.844 315 S CB 2.195 65.458 63.200 0.104 0.000 1.127 315 S HN 0.618 nan 8.310 nan 0.000 0.474 316 K N 1.063 121.620 120.400 0.261 0.000 2.579 316 K HA 0.438 4.758 4.320 -0.000 0.000 0.250 316 K C 0.651 177.321 176.600 0.116 0.000 0.952 316 K CA -0.321 56.072 56.287 0.178 0.000 0.857 316 K CB 0.952 33.544 32.500 0.153 0.000 1.123 316 K HN 0.566 nan 8.250 nan 0.000 0.433 317 S N 1.882 117.620 115.700 0.065 0.000 2.401 317 S HA -0.211 4.259 4.470 -0.000 0.000 0.236 317 S C 1.273 175.874 174.600 0.001 0.000 1.058 317 S CA 1.829 60.052 58.200 0.039 0.000 1.151 317 S CB -0.171 63.042 63.200 0.023 0.000 1.049 317 S HN 0.820 nan 8.310 nan 0.000 0.432 318 G N 1.041 109.809 108.800 -0.052 0.000 4.486 318 G HA2 0.519 4.479 3.960 -0.000 0.000 0.306 318 G HA3 0.519 4.479 3.960 -0.000 0.000 0.306 318 G C 0.113 174.876 174.900 -0.229 0.000 1.331 318 G CA -0.160 44.881 45.100 -0.098 0.000 1.113 318 G HN 0.564 nan 8.290 nan 0.000 0.594 319 G N 0.435 108.948 108.800 -0.479 0.000 2.398 319 G HA2 0.404 4.364 3.960 -0.000 0.000 0.246 319 G HA3 0.404 4.364 3.960 -0.000 0.000 0.246 319 G C 0.267 174.653 174.900 -0.857 0.000 1.289 319 G CA -0.225 44.287 45.100 -0.979 0.000 0.869 319 G HN 0.320 nan 8.290 nan 0.000 0.543 320 Q N 0.927 120.453 119.800 -0.458 0.000 2.189 320 Q HA 0.413 4.753 4.340 -0.000 0.000 0.193 320 Q C 1.695 177.677 176.000 -0.030 0.000 1.034 320 Q CA -0.131 55.563 55.803 -0.181 0.000 1.062 320 Q CB 0.561 29.247 28.738 -0.086 0.000 1.118 320 Q HN 0.501 nan 8.270 nan 0.000 0.569 321 A N 0.632 123.491 122.820 0.065 0.000 1.848 321 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 321 A C 1.319 178.999 177.584 0.161 0.000 1.220 321 A CA 2.037 54.156 52.037 0.136 0.000 0.645 321 A CB -1.234 17.811 19.000 0.075 0.000 0.842 321 A HN 0.729 nan 8.150 nan 0.000 0.451 322 G N -0.934 107.920 108.800 0.090 0.000 3.943 322 G HA2 0.396 4.356 3.960 -0.000 0.000 0.275 322 G HA3 0.396 4.356 3.960 -0.000 0.000 0.275 322 G C -0.332 174.610 174.900 0.069 0.000 1.234 322 G CA 0.371 45.518 45.100 0.077 0.000 1.522 322 G HN 0.361 nan 8.290 nan 0.000 0.636 323 D N 0.446 120.909 120.400 0.104 0.000 2.561 323 D HA 0.095 4.735 4.640 -0.000 0.000 0.232 323 D C 0.687 177.037 176.300 0.082 0.000 1.198 323 D CA -0.248 53.785 54.000 0.053 0.000 0.826 323 D CB -0.046 40.726 40.800 -0.048 0.000 0.992 323 D HN 0.063 nan 8.370 nan 0.000 0.490 324 Q N 0.688 120.536 119.800 0.080 0.000 3.110 324 Q HA -0.215 4.125 4.340 -0.000 0.000 0.082 324 Q C -0.268 175.773 176.000 0.069 0.000 1.639 324 Q CA 1.018 56.849 55.803 0.047 0.000 0.318 324 Q CB -0.383 28.356 28.738 0.003 0.000 0.639 324 Q HN 0.534 nan 8.270 nan 0.000 0.340 325 M N 0.569 120.219 119.600 0.084 0.000 2.294 325 M HA 0.699 5.179 4.480 -0.000 0.000 0.335 325 M C -0.291 176.057 176.300 0.080 0.000 1.079 325 M CA -0.711 54.680 55.300 0.152 0.000 0.982 325 M CB 2.323 35.094 32.600 0.285 0.000 1.651 325 M HN 0.451 nan 8.290 nan 0.000 0.437 326 S N 2.939 118.715 115.700 0.128 0.000 2.541 326 S HA 0.891 5.361 4.470 -0.000 0.000 0.271 326 S C -1.503 173.252 174.600 0.259 0.000 1.133 326 S CA -0.718 57.504 58.200 0.037 0.000 0.876 326 S CB 1.809 64.970 63.200 -0.064 0.000 1.105 326 S HN 1.073 nan 8.310 nan 0.000 0.470 327 W N 0.003 121.525 121.300 0.369 0.000 3.137 327 W HA 0.733 5.393 4.660 -0.000 0.000 0.324 327 W C -1.298 175.388 176.519 0.279 0.000 1.253 327 W CA -0.833 56.689 57.345 0.295 0.000 1.183 327 W CB 1.185 30.834 29.460 0.316 0.000 1.424 327 W HN 0.759 nan 8.180 nan 0.000 0.566 328 S N 0.982 117.067 115.700 0.642 0.000 2.501 328 S HA 0.816 5.286 4.470 -0.000 0.000 0.301 328 S C -0.787 174.106 174.600 0.487 0.000 1.096 328 S CA -0.222 58.250 58.200 0.453 0.000 1.063 328 S CB 1.076 64.409 63.200 0.221 0.000 1.042 328 S HN 0.864 nan 8.310 nan 0.000 0.494 329 A N 4.399 127.451 122.820 0.387 0.000 2.414 329 A HA 0.879 5.199 4.320 -0.000 0.000 0.306 329 A C -0.606 176.964 177.584 -0.024 0.000 1.054 329 A CA -0.779 51.244 52.037 -0.022 0.000 0.724 329 A CB 1.445 20.402 19.000 -0.070 0.000 1.267 329 A HN 0.746 nan 8.150 nan 0.000 0.418 330 R N 0.755 121.152 120.500 -0.172 0.000 2.651 330 R HA 0.679 5.019 4.340 -0.000 0.000 0.278 330 R C -0.596 175.629 176.300 -0.126 0.000 1.010 330 R CA 0.335 56.383 56.100 -0.087 0.000 0.896 330 R CB 2.195 32.468 30.300 -0.044 0.000 1.211 330 R HN 2.069 nan 8.270 nan 0.000 0.456 331 G N 0.930 109.675 108.800 -0.092 0.000 2.333 331 G HA2 0.092 4.052 3.960 -0.000 0.000 0.330 331 G HA3 0.092 4.052 3.960 -0.000 0.000 0.330 331 G C -1.712 173.116 174.900 -0.121 0.000 1.465 331 G CA -0.688 44.355 45.100 -0.094 0.000 0.996 331 G HN 0.545 nan 8.290 nan 0.000 0.655 332 S N -0.512 115.113 115.700 -0.124 0.000 2.600 332 S HA 0.882 5.352 4.470 -0.000 0.000 0.300 332 S C -0.225 174.257 174.600 -0.198 0.000 1.087 332 S CA -0.940 57.158 58.200 -0.171 0.000 0.965 332 S CB 2.015 65.135 63.200 -0.132 0.000 1.089 332 S HN 0.750 nan 8.310 nan 0.000 0.496 333 L N 0.898 121.964 121.223 -0.261 0.000 2.319 333 L HA 0.890 5.230 4.340 -0.000 0.000 0.267 333 L C -0.288 176.492 176.870 -0.151 0.000 1.011 333 L CA -1.126 53.555 54.840 -0.265 0.000 0.818 333 L CB 1.746 43.562 42.059 -0.405 0.000 1.316 333 L HN 0.822 nan 8.230 nan 0.000 0.432 334 A N 1.579 124.347 122.820 -0.086 0.000 2.343 334 A HA 0.717 5.037 4.320 -0.000 0.000 0.308 334 A C -0.902 176.688 177.584 0.010 0.000 1.092 334 A CA -0.469 51.552 52.037 -0.027 0.000 0.751 334 A CB 1.488 20.478 19.000 -0.017 0.000 1.203 334 A HN 0.366 nan 8.150 nan 0.000 0.452 335 V N 2.840 122.790 119.914 0.060 0.000 2.328 335 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 335 V C 0.111 176.254 176.094 0.081 0.000 1.021 335 V CA -0.215 62.141 62.300 0.094 0.000 0.838 335 V CB 1.174 33.087 31.823 0.150 0.000 0.999 335 V HN 0.869 nan 8.190 nan 0.000 0.447 336 T N 7.018 121.560 114.554 -0.020 0.000 2.743 336 T HA 0.484 4.834 4.350 -0.000 0.000 0.292 336 T C -0.025 174.529 174.700 -0.243 0.000 0.972 336 T CA -0.153 61.874 62.100 -0.122 0.000 0.967 336 T CB 0.659 69.434 68.868 -0.155 0.000 0.926 336 T HN 0.616 nan 8.240 nan 0.000 0.459 337 I N 1.832 122.313 120.570 -0.148 0.000 2.312 337 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 337 I C -0.233 175.800 176.117 -0.140 0.000 1.008 337 I CA -0.800 60.411 61.300 -0.149 0.000 1.226 337 I CB 0.676 38.694 38.000 0.029 0.000 1.371 337 I HN 0.548 nan 8.210 nan 0.000 0.468 338 H N 5.355 124.451 119.070 0.043 0.000 2.886 338 H HA 0.127 4.683 4.556 -0.000 0.000 0.329 338 H C 1.476 176.816 175.328 0.020 0.000 1.044 338 H CA 1.072 57.136 56.048 0.027 0.000 1.456 338 H CB 0.855 30.629 29.762 0.020 0.000 1.464 338 H HN 1.028 nan 8.280 nan 0.000 0.573 339 G N 2.677 111.557 108.800 0.133 0.000 2.180 339 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.263 339 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.263 339 G C 1.547 176.499 174.900 0.085 0.000 0.989 339 G CA 0.827 45.975 45.100 0.080 0.000 0.692 339 G HN 0.867 nan 8.290 nan 0.000 0.526 340 G N 0.077 108.916 108.800 0.065 0.000 2.432 340 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 340 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 340 G C 1.332 176.264 174.900 0.053 0.000 1.135 340 G CA 1.296 46.430 45.100 0.056 0.000 0.767 340 G HN 0.516 nan 8.290 nan 0.000 0.550 341 N N -0.873 117.852 118.700 0.041 0.000 2.336 341 N HA 0.061 4.801 4.740 -0.000 0.000 0.189 341 N C -0.260 175.278 175.510 0.046 0.000 1.113 341 N CA -0.487 52.574 53.050 0.018 0.000 0.858 341 N CB -0.114 38.361 38.487 -0.020 0.000 0.970 341 N HN 0.425 nan 8.380 nan 0.000 0.471 342 Y N 2.720 123.002 120.300 -0.029 0.000 2.605 342 Y HA 0.132 4.682 4.550 -0.000 0.000 0.336 342 Y C -2.090 173.787 175.900 -0.039 0.000 1.111 342 Y CA -1.990 56.089 58.100 -0.036 0.000 1.422 342 Y CB 0.483 38.914 38.460 -0.049 0.000 1.193 342 Y HN 0.008 nan 8.280 nan 0.000 0.526 343 P HA 0.075 nan 4.420 nan 0.000 0.260 343 P C 0.529 177.754 177.300 -0.125 0.000 1.185 343 P CA 1.953 64.906 63.100 -0.245 0.000 0.763 343 P CB 0.460 31.963 31.700 -0.328 0.000 0.776 344 G N 3.270 112.088 108.800 0.030 0.000 2.313 344 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.215 344 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.215 344 G C 1.214 176.236 174.900 0.202 0.000 1.023 344 G CA 0.336 45.515 45.100 0.131 0.000 0.626 344 G HN 0.610 nan 8.290 nan 0.000 0.503 345 A N -0.193 122.730 122.820 0.171 0.000 1.930 345 A HA 0.519 4.839 4.320 -0.000 0.000 0.217 345 A C 2.196 179.908 177.584 0.213 0.000 1.175 345 A CA 2.068 54.171 52.037 0.109 0.000 0.627 345 A CB -0.203 18.838 19.000 0.068 0.000 0.815 345 A HN 0.986 nan 8.150 nan 0.000 0.443 346 L N -3.858 117.470 121.223 0.175 0.000 3.316 346 L HA 0.199 4.539 4.340 -0.000 0.000 0.300 346 L C 2.063 179.062 176.870 0.215 0.000 1.128 346 L CA 0.205 55.145 54.840 0.166 0.000 1.111 346 L CB 0.045 42.182 42.059 0.130 0.000 1.687 346 L HN 0.292 nan 8.230 nan 0.000 0.594 347 R N 1.752 122.346 120.500 0.158 0.000 2.072 347 R HA 0.067 4.407 4.340 -0.000 0.000 0.221 347 R C -1.760 174.603 176.300 0.104 0.000 1.166 347 R CA 0.741 56.897 56.100 0.094 0.000 0.917 347 R CB -0.935 29.376 30.300 0.019 0.000 0.815 347 R HN 0.023 nan 8.270 nan 0.000 0.444 348 P HA 0.120 nan 4.420 nan 0.000 0.275 348 P C -1.301 176.108 177.300 0.182 0.000 1.227 348 P CA 0.164 63.310 63.100 0.076 0.000 0.781 348 P CB 1.486 33.210 31.700 0.040 0.000 0.906 349 V N 3.255 123.280 119.914 0.185 0.000 2.588 349 V HA 0.381 4.501 4.120 -0.000 0.000 0.304 349 V C 0.053 176.220 176.094 0.121 0.000 1.042 349 V CA -0.295 62.108 62.300 0.171 0.000 0.877 349 V CB 2.267 34.212 31.823 0.203 0.000 0.996 349 V HN 0.467 nan 8.190 nan 0.000 0.425 350 T N 6.056 120.656 114.554 0.076 0.000 2.770 350 T HA 0.626 4.976 4.350 -0.000 0.000 0.283 350 T C -0.607 174.126 174.700 0.055 0.000 0.988 350 T CA -0.278 61.877 62.100 0.092 0.000 0.957 350 T CB 0.900 69.846 68.868 0.130 0.000 0.930 350 T HN 0.234 nan 8.240 nan 0.000 0.443 351 L N 4.124 125.352 121.223 0.008 0.000 2.282 351 L HA 0.550 4.890 4.340 -0.000 0.000 0.288 351 L C -0.344 176.533 176.870 0.012 0.000 1.033 351 L CA -0.413 54.393 54.840 -0.057 0.000 0.807 351 L CB 1.669 43.662 42.059 -0.110 0.000 1.209 351 L HN 0.383 nan 8.230 nan 0.000 0.423 352 V N 3.452 123.383 119.914 0.028 0.000 2.326 352 V HA 0.749 4.869 4.120 -0.000 0.000 0.281 352 V C 0.095 176.267 176.094 0.130 0.000 1.015 352 V CA -0.669 61.696 62.300 0.108 0.000 0.823 352 V CB 1.265 33.214 31.823 0.211 0.000 1.009 352 V HN 0.829 nan 8.190 nan 0.000 0.436 353 A N 5.571 128.465 122.820 0.124 0.000 2.317 353 A HA 0.913 5.233 4.320 -0.000 0.000 0.327 353 A C -0.898 176.919 177.584 0.388 0.000 1.178 353 A CA -0.485 51.660 52.037 0.180 0.000 0.817 353 A CB 0.843 19.925 19.000 0.137 0.000 1.189 353 A HN 0.975 nan 8.150 nan 0.000 0.489 354 Y N -0.009 120.485 120.300 0.323 0.000 2.524 354 Y HA 0.791 5.341 4.550 -0.000 0.000 0.344 354 Y C -0.294 175.671 175.900 0.109 0.000 1.012 354 Y CA -0.945 57.313 58.100 0.265 0.000 1.068 354 Y CB 1.351 39.904 38.460 0.155 0.000 1.249 354 Y HN 0.848 nan 8.280 nan 0.000 0.468 355 E N 0.833 121.039 120.200 0.010 0.000 2.433 355 E HA 0.573 4.923 4.350 -0.000 0.000 0.278 355 E C -0.543 176.008 176.600 -0.082 0.000 0.976 355 E CA -1.296 54.994 56.400 -0.182 0.000 0.793 355 E CB 1.536 30.895 29.700 -0.569 0.000 1.311 355 E HN 0.581 nan 8.360 nan 0.000 0.460 356 R N -0.917 119.548 120.500 -0.059 0.000 3.989 356 R HA -0.102 4.238 4.340 -0.000 0.000 0.377 356 R C -0.447 175.868 176.300 0.024 0.000 1.158 356 R CA 0.851 56.934 56.100 -0.029 0.000 1.035 356 R CB -2.815 27.451 30.300 -0.058 0.000 1.557 356 R HN 0.487 nan 8.270 nan 0.000 0.551 357 V N 1.433 121.396 119.914 0.081 0.000 2.614 357 V HA 0.430 4.550 4.120 -0.000 0.000 0.291 357 V C 1.457 177.585 176.094 0.057 0.000 1.049 357 V CA -0.030 62.316 62.300 0.077 0.000 1.038 357 V CB 1.518 33.406 31.823 0.108 0.000 0.980 357 V HN 0.364 nan 8.190 nan 0.000 0.481 358 A N 3.911 126.750 122.820 0.031 0.000 2.511 358 A HA 0.319 4.639 4.320 -0.000 0.000 0.242 358 A C 0.776 178.378 177.584 0.031 0.000 1.069 358 A CA -0.003 52.049 52.037 0.024 0.000 0.763 358 A CB -0.312 18.696 19.000 0.013 0.000 1.001 358 A HN 0.869 nan 8.150 nan 0.000 0.498 359 T N 1.886 116.459 114.554 0.031 0.000 2.908 359 T HA 0.399 4.749 4.350 -0.000 0.000 0.301 359 T C 1.547 176.263 174.700 0.026 0.000 1.019 359 T CA 1.604 63.725 62.100 0.036 0.000 1.152 359 T CB 0.406 69.290 68.868 0.027 0.000 0.966 359 T HN 2.029 nan 8.240 nan 0.000 0.540 360 G N 2.717 111.535 108.800 0.030 0.000 2.195 360 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 360 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 360 G C 0.381 175.286 174.900 0.009 0.000 0.984 360 G CA 0.112 45.223 45.100 0.019 0.000 0.633 360 G HN 1.136 nan 8.290 nan 0.000 0.525 361 S N -0.689 115.013 115.700 0.004 0.000 2.632 361 S HA 0.711 5.181 4.470 -0.000 0.000 0.267 361 S C 0.160 174.740 174.600 -0.035 0.000 1.276 361 S CA -0.256 57.936 58.200 -0.014 0.000 0.998 361 S CB 2.476 65.665 63.200 -0.017 0.000 0.953 361 S HN 0.987 nan 8.310 nan 0.000 0.547 362 V N 1.931 121.817 119.914 -0.046 0.000 2.394 362 V HA 0.345 4.465 4.120 -0.000 0.000 0.282 362 V C -0.250 175.781 176.094 -0.106 0.000 1.031 362 V CA -0.755 61.507 62.300 -0.063 0.000 0.881 362 V CB 1.284 33.084 31.823 -0.038 0.000 0.982 362 V HN 0.774 nan 8.190 nan 0.000 0.451 363 V N 4.637 124.450 119.914 -0.170 0.000 2.364 363 V HA 0.305 4.425 4.120 -0.000 0.000 0.272 363 V C 0.483 176.494 176.094 -0.139 0.000 1.036 363 V CA -0.085 62.082 62.300 -0.222 0.000 0.880 363 V CB 1.633 33.187 31.823 -0.448 0.000 0.991 363 V HN 0.969 nan 8.190 nan 0.000 0.460 364 T N 5.304 119.813 114.554 -0.076 0.000 2.767 364 T HA 0.525 4.875 4.350 -0.000 0.000 0.288 364 T C -0.221 174.488 174.700 0.016 0.000 0.963 364 T CA -0.270 61.817 62.100 -0.022 0.000 1.019 364 T CB 1.396 70.256 68.868 -0.013 0.000 0.923 364 T HN 0.334 nan 8.240 nan 0.000 0.468 365 V N 2.676 122.630 119.914 0.067 0.000 2.459 365 V HA 0.831 4.951 4.120 -0.000 0.000 0.295 365 V C -0.065 176.097 176.094 0.114 0.000 1.029 365 V CA -0.826 61.552 62.300 0.130 0.000 0.874 365 V CB 1.387 33.349 31.823 0.231 0.000 0.985 365 V HN 1.067 nan 8.190 nan 0.000 0.438 366 A N 3.421 126.285 122.820 0.074 0.000 2.398 366 A HA 0.969 5.289 4.320 -0.000 0.000 0.301 366 A C -0.155 177.439 177.584 0.017 0.000 1.041 366 A CA -0.013 52.049 52.037 0.042 0.000 0.711 366 A CB 1.872 20.882 19.000 0.017 0.000 1.240 366 A HN 1.205 nan 8.150 nan 0.000 0.420 367 G N -0.310 108.505 108.800 0.024 0.000 2.695 367 G HA2 0.635 4.595 3.960 -0.000 0.000 0.290 367 G HA3 0.635 4.595 3.960 -0.000 0.000 0.290 367 G C -1.781 173.124 174.900 0.009 0.000 1.410 367 G CA -0.559 44.534 45.100 -0.011 0.000 0.844 367 G HN 1.121 nan 8.290 nan 0.000 0.478 368 V N 0.299 120.204 119.914 -0.014 0.000 2.638 368 V HA 0.683 4.803 4.120 -0.000 0.000 0.306 368 V C -0.261 175.814 176.094 -0.031 0.000 1.052 368 V CA -0.708 61.593 62.300 0.002 0.000 0.885 368 V CB 1.893 33.716 31.823 -0.001 0.000 0.999 368 V HN 0.761 nan 8.190 nan 0.000 0.424 369 S N 4.138 119.829 115.700 -0.014 0.000 2.482 369 S HA 0.585 5.055 4.470 -0.000 0.000 0.303 369 S C -0.646 173.759 174.600 -0.324 0.000 1.091 369 S CA -0.821 57.271 58.200 -0.180 0.000 1.057 369 S CB 1.204 64.371 63.200 -0.055 0.000 1.031 369 S HN 0.752 nan 8.310 nan 0.000 0.485 370 N N 1.669 120.046 118.700 -0.538 0.000 2.321 370 N HA 0.604 5.344 4.740 -0.000 0.000 0.299 370 N C -1.514 173.634 175.510 -0.603 0.000 1.048 370 N CA -0.233 52.594 53.050 -0.372 0.000 0.836 370 N CB 1.422 39.825 38.487 -0.140 0.000 1.269 370 N HN 0.406 nan 8.380 nan 0.000 0.486 371 F N 0.048 120.017 119.950 0.032 0.000 2.576 371 F HA 0.335 4.862 4.527 -0.000 0.000 0.313 371 F C 0.502 176.310 175.800 0.013 0.000 1.078 371 F CA -0.874 57.127 58.000 0.003 0.000 0.921 371 F CB 1.918 40.891 39.000 -0.044 0.000 1.232 371 F HN 0.149 nan 8.300 nan 0.000 0.459 372 E N 2.949 123.254 120.200 0.175 0.000 2.227 372 E HA 0.611 4.961 4.350 -0.000 0.000 0.282 372 E C -1.158 175.575 176.600 0.222 0.000 1.015 372 E CA -0.443 56.044 56.400 0.145 0.000 0.823 372 E CB 1.588 31.191 29.700 -0.161 0.000 1.081 372 E HN 0.412 nan 8.360 nan 0.000 0.396 373 L N 3.661 125.041 121.223 0.261 0.000 2.388 373 L HA 0.553 4.893 4.340 -0.000 0.000 0.264 373 L C -0.674 176.371 176.870 0.291 0.000 0.998 373 L CA -0.813 54.119 54.840 0.153 0.000 0.817 373 L CB 1.856 43.680 42.059 -0.392 0.000 1.338 373 L HN 0.430 nan 8.230 nan 0.000 0.414 374 I N 3.502 124.275 120.570 0.338 0.000 2.362 374 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 374 I C -2.202 174.152 176.117 0.394 0.000 0.994 374 I CA -2.003 59.472 61.300 0.292 0.000 1.158 374 I CB 1.978 40.094 38.000 0.193 0.000 1.315 374 I HN 0.249 nan 8.210 nan 0.000 0.451 375 P HA 0.057 nan 4.420 nan 0.000 0.272 375 P C -0.986 176.350 177.300 0.060 0.000 1.223 375 P CA -0.344 62.852 63.100 0.160 0.000 0.784 375 P CB 0.277 32.010 31.700 0.056 0.000 0.923 376 N N 2.419 121.085 118.700 -0.056 0.000 2.354 376 N HA 0.074 4.814 4.740 -0.000 0.000 0.246 376 N C -1.969 173.522 175.510 -0.032 0.000 1.285 376 N CA -1.604 51.424 53.050 -0.037 0.000 0.925 376 N CB -1.377 37.063 38.487 -0.078 0.000 1.174 376 N HN 0.154 nan 8.380 nan 0.000 0.478 377 P HA -0.165 nan 4.420 nan 0.000 0.216 377 P C 0.990 178.274 177.300 -0.027 0.000 1.150 377 P CA 1.526 64.618 63.100 -0.014 0.000 0.843 377 P CB 0.196 31.890 31.700 -0.010 0.000 0.787 378 E N -0.955 119.220 120.200 -0.041 0.000 2.072 378 E HA -0.107 4.243 4.350 -0.000 0.000 0.190 378 E C 1.766 178.334 176.600 -0.053 0.000 0.982 378 E CA 0.755 57.128 56.400 -0.044 0.000 0.803 378 E CB -1.043 28.629 29.700 -0.047 0.000 0.755 378 E HN 0.016 nan 8.360 nan 0.000 0.453 379 L N -0.042 121.132 121.223 -0.081 0.000 2.156 379 L HA 0.114 4.454 4.340 -0.000 0.000 0.208 379 L C 2.030 178.869 176.870 -0.051 0.000 1.095 379 L CA 1.479 56.263 54.840 -0.093 0.000 0.770 379 L CB -0.666 41.278 42.059 -0.192 0.000 0.914 379 L HN 0.179 nan 8.230 nan 0.000 0.439 380 A N -0.883 121.916 122.820 -0.035 0.000 2.131 380 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 380 A C 2.179 179.756 177.584 -0.011 0.000 1.158 380 A CA 1.510 53.541 52.037 -0.010 0.000 0.665 380 A CB -0.519 18.480 19.000 -0.002 0.000 0.795 380 A HN 0.474 nan 8.150 nan 0.000 0.460 381 K N -0.768 119.622 120.400 -0.017 0.000 2.365 381 K HA 0.009 4.329 4.320 -0.000 0.000 0.199 381 K C 0.395 176.989 176.600 -0.010 0.000 1.045 381 K CA 0.886 57.165 56.287 -0.013 0.000 0.962 381 K CB 0.045 32.536 32.500 -0.015 0.000 0.759 381 K HN 0.391 nan 8.250 nan 0.000 0.469 382 N N -0.173 118.521 118.700 -0.010 0.000 2.118 382 N HA 0.046 4.786 4.740 -0.000 0.000 0.226 382 N C -0.998 174.514 175.510 0.004 0.000 1.305 382 N CA -0.047 53.000 53.050 -0.004 0.000 0.890 382 N CB 1.064 39.547 38.487 -0.007 0.000 1.118 382 N HN -0.017 nan 8.380 nan 0.000 0.511 383 L N 2.528 123.756 121.223 0.008 0.000 2.324 383 L HA 0.439 4.779 4.340 -0.000 0.000 0.274 383 L C -0.316 176.567 176.870 0.021 0.000 1.012 383 L CA -0.568 54.289 54.840 0.028 0.000 0.859 383 L CB 1.187 43.276 42.059 0.050 0.000 1.224 383 L HN -0.276 nan 8.230 nan 0.000 0.429 384 V N 4.111 124.033 119.914 0.013 0.000 2.585 384 V HA 0.243 4.363 4.120 -0.000 0.000 0.296 384 V C 0.845 176.930 176.094 -0.016 0.000 1.035 384 V CA 0.016 62.312 62.300 -0.006 0.000 1.084 384 V CB 1.227 33.046 31.823 -0.007 0.000 0.953 384 V HN 0.907 nan 8.190 nan 0.000 0.483 385 T N 2.479 117.003 114.554 -0.050 0.000 2.912 385 T HA 0.812 5.162 4.350 -0.000 0.000 0.288 385 T C -0.758 173.842 174.700 -0.168 0.000 1.030 385 T CA -0.904 61.139 62.100 -0.096 0.000 1.020 385 T CB 2.305 71.118 68.868 -0.091 0.000 1.056 385 T HN 0.678 nan 8.240 nan 0.000 0.480 386 E N 0.142 120.193 120.200 -0.248 0.000 2.408 386 E HA 0.360 4.710 4.350 -0.000 0.000 0.275 386 E C -1.287 175.108 176.600 -0.342 0.000 0.935 386 E CA -0.975 55.273 56.400 -0.253 0.000 0.775 386 E CB 1.855 31.474 29.700 -0.135 0.000 1.277 386 E HN 0.651 nan 8.360 nan 0.000 0.455 387 Y N 0.480 120.740 120.300 -0.067 0.000 2.480 387 Y HA 0.239 4.789 4.550 -0.000 0.000 0.338 387 Y C 1.413 177.313 175.900 -0.000 0.000 1.220 387 Y CA 0.155 58.258 58.100 0.004 0.000 1.430 387 Y CB 0.547 39.024 38.460 0.028 0.000 1.311 387 Y HN 0.601 nan 8.280 nan 0.000 0.575 388 G N 2.847 111.837 108.800 0.316 0.000 2.559 388 G HA2 0.073 4.033 3.960 -0.000 0.000 0.235 388 G HA3 0.073 4.033 3.960 -0.000 0.000 0.235 388 G C -0.212 174.807 174.900 0.198 0.000 1.266 388 G CA -0.883 44.375 45.100 0.264 0.000 0.847 388 G HN 0.436 nan 8.290 nan 0.000 0.583 389 R N -0.155 120.437 120.500 0.153 0.000 2.585 389 R HA -0.010 4.330 4.340 -0.000 0.000 0.275 389 R C -0.341 176.069 176.300 0.182 0.000 1.018 389 R CA -0.441 55.744 56.100 0.142 0.000 1.072 389 R CB 0.029 30.384 30.300 0.093 0.000 0.953 389 R HN 0.382 nan 8.270 nan 0.000 0.419 390 F N 4.833 124.803 119.950 0.033 0.000 2.421 390 F HA 0.169 4.696 4.527 -0.000 0.000 0.358 390 F C -0.355 175.453 175.800 0.013 0.000 1.115 390 F CA -1.405 56.605 58.000 0.017 0.000 1.160 390 F CB 0.463 39.467 39.000 0.006 0.000 1.123 390 F HN 0.478 nan 8.300 nan 0.000 0.508 391 D N 8.098 128.192 120.400 -0.510 0.000 2.620 391 D HA 0.321 4.961 4.640 -0.000 0.000 0.252 391 D C -3.287 172.600 176.300 -0.688 0.000 1.207 391 D CA -2.036 51.555 54.000 -0.681 0.000 0.884 391 D CB 1.738 42.361 40.800 -0.295 0.000 1.262 391 D HN 0.217 nan 8.370 nan 0.000 0.552 392 P HA 0.286 nan 4.420 nan 0.000 0.274 392 P C 1.009 178.198 177.300 -0.185 0.000 1.231 392 P CA 0.434 63.294 63.100 -0.400 0.000 0.790 392 P CB 1.094 32.643 31.700 -0.250 0.000 0.951 393 G N 1.421 110.182 108.800 -0.065 0.000 2.205 393 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.261 393 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.261 393 G C 1.117 176.038 174.900 0.036 0.000 0.980 393 G CA 0.700 45.800 45.100 -0.001 0.000 0.632 393 G HN 0.737 nan 8.290 nan 0.000 0.533 394 A N -0.504 122.307 122.820 -0.015 0.000 1.877 394 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 394 A C 2.270 179.915 177.584 0.102 0.000 1.186 394 A CA 2.807 54.871 52.037 0.045 0.000 0.620 394 A CB -0.364 18.628 19.000 -0.013 0.000 0.822 394 A HN 1.140 nan 8.150 nan 0.000 0.443 395 M N 0.825 120.435 119.600 0.017 0.000 2.132 395 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 395 M C 1.548 177.895 176.300 0.077 0.000 1.065 395 M CA 1.699 57.002 55.300 0.005 0.000 1.122 395 M CB -0.954 31.617 32.600 -0.048 0.000 1.365 395 M HN 0.509 nan 8.290 nan 0.000 0.411 396 N N -1.310 117.442 118.700 0.086 0.000 2.120 396 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 396 N C 1.741 177.328 175.510 0.128 0.000 1.024 396 N CA 1.631 54.737 53.050 0.094 0.000 0.852 396 N CB -0.409 38.130 38.487 0.086 0.000 1.003 396 N HN 0.430 nan 8.380 nan 0.000 0.424 397 Y N 2.323 122.654 120.300 0.051 0.000 2.200 397 Y HA -0.158 4.392 4.550 -0.000 0.000 0.290 397 Y C 2.513 178.470 175.900 0.095 0.000 1.137 397 Y CA 1.399 59.541 58.100 0.069 0.000 1.163 397 Y CB -0.450 38.052 38.460 0.070 0.000 0.988 397 Y HN -0.030 nan 8.280 nan 0.000 0.518 398 T N 0.147 114.830 114.554 0.216 0.000 2.708 398 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 398 T C 1.797 176.559 174.700 0.104 0.000 1.037 398 T CA 1.883 64.099 62.100 0.194 0.000 1.146 398 T CB -0.191 68.864 68.868 0.310 0.000 0.865 398 T HN 0.263 nan 8.240 nan 0.000 0.435 399 K N 0.382 120.837 120.400 0.092 0.000 2.097 399 K HA -0.009 4.311 4.320 -0.000 0.000 0.206 399 K C 2.190 178.792 176.600 0.003 0.000 1.049 399 K CA 0.822 57.146 56.287 0.062 0.000 0.933 399 K CB -0.332 32.205 32.500 0.061 0.000 0.717 399 K HN 0.137 nan 8.250 nan 0.000 0.442 400 L N 1.305 122.501 121.223 -0.045 0.000 1.994 400 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 400 L C 1.897 178.692 176.870 -0.125 0.000 1.071 400 L CA 1.578 56.361 54.840 -0.095 0.000 0.745 400 L CB -0.383 41.584 42.059 -0.154 0.000 0.892 400 L HN 0.079 nan 8.230 nan 0.000 0.431 401 I N -0.256 120.195 120.570 -0.199 0.000 2.118 401 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 401 I C 2.607 178.691 176.117 -0.055 0.000 1.070 401 I CA 1.676 62.885 61.300 -0.152 0.000 1.327 401 I CB -1.281 36.621 38.000 -0.163 0.000 1.034 401 I HN 0.325 nan 8.210 nan 0.000 0.405 402 L N 0.047 121.258 121.223 -0.020 0.000 2.093 402 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 402 L C 2.709 179.569 176.870 -0.017 0.000 1.085 402 L CA 1.419 56.257 54.840 -0.002 0.000 0.755 402 L CB -0.613 41.465 42.059 0.031 0.000 0.904 402 L HN 0.281 nan 8.230 nan 0.000 0.435 403 S N -0.201 115.488 115.700 -0.018 0.000 2.400 403 S HA -0.166 4.304 4.470 -0.000 0.000 0.232 403 S C 1.537 176.123 174.600 -0.024 0.000 1.025 403 S CA 1.211 59.399 58.200 -0.020 0.000 0.993 403 S CB -0.074 63.116 63.200 -0.017 0.000 0.808 403 S HN 0.402 nan 8.310 nan 0.000 0.478 404 E N 0.669 120.852 120.200 -0.028 0.000 2.499 404 E HA 0.156 4.506 4.350 -0.000 0.000 0.199 404 E C 1.549 178.136 176.600 -0.021 0.000 1.016 404 E CA -0.267 56.120 56.400 -0.021 0.000 0.933 404 E CB -0.030 29.659 29.700 -0.018 0.000 1.050 404 E HN 0.509 nan 8.360 nan 0.000 0.462 405 R N 1.479 121.961 120.500 -0.030 0.000 2.133 405 R HA -0.204 4.136 4.340 -0.000 0.000 0.245 405 R C 0.903 177.167 176.300 -0.061 0.000 1.137 405 R CA 1.918 57.992 56.100 -0.043 0.000 0.947 405 R CB 0.090 30.358 30.300 -0.053 0.000 0.865 405 R HN 0.088 nan 8.270 nan 0.000 0.437 406 D N -0.295 120.069 120.400 -0.060 0.000 2.149 406 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 406 D C 2.027 178.294 176.300 -0.055 0.000 0.972 406 D CA 1.442 55.399 54.000 -0.072 0.000 0.835 406 D CB -0.226 40.535 40.800 -0.065 0.000 0.966 406 D HN 0.456 nan 8.370 nan 0.000 0.476 407 R N 0.775 121.257 120.500 -0.030 0.000 2.148 407 R HA 0.021 4.361 4.340 -0.000 0.000 0.223 407 R C 2.007 178.311 176.300 0.008 0.000 1.088 407 R CA 0.762 56.855 56.100 -0.012 0.000 0.985 407 R CB -0.429 29.870 30.300 -0.000 0.000 0.880 407 R HN 0.145 nan 8.270 nan 0.000 0.451 408 L N 0.332 121.565 121.223 0.017 0.000 2.446 408 L HA 0.276 4.616 4.340 -0.000 0.000 0.219 408 L C 0.911 177.806 176.870 0.041 0.000 1.116 408 L CA 0.526 55.409 54.840 0.072 0.000 0.844 408 L CB -0.003 42.120 42.059 0.107 0.000 0.970 408 L HN 0.627 nan 8.230 nan 0.000 0.457 409 G N 1.531 110.295 108.800 -0.059 0.000 2.272 409 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.280 409 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.280 409 G C 0.020 174.723 174.900 -0.328 0.000 1.067 409 G CA -0.215 44.781 45.100 -0.173 0.000 0.902 409 G HN 0.296 nan 8.290 nan 0.000 0.500 410 I N 0.822 121.241 120.570 -0.252 0.000 2.294 410 I HA 0.217 4.386 4.170 -0.000 0.000 0.295 410 I C 0.900 176.796 176.117 -0.368 0.000 1.098 410 I CA -0.077 61.069 61.300 -0.257 0.000 1.277 410 I CB 0.458 38.412 38.000 -0.076 0.000 1.434 410 I HN 0.082 nan 8.210 nan 0.000 0.498 411 K N 3.377 123.288 120.400 -0.815 0.000 2.087 411 K HA 0.329 4.649 4.320 -0.000 0.000 0.255 411 K C 1.159 177.518 176.600 -0.402 0.000 0.988 411 K CA -0.453 55.310 56.287 -0.873 0.000 0.915 411 K CB 1.253 32.788 32.500 -1.608 0.000 1.043 411 K HN 0.563 nan 8.250 nan 0.000 0.457 412 T N -3.068 111.327 114.554 -0.266 0.000 3.054 412 T HA 0.036 4.386 4.350 -0.000 0.000 0.259 412 T C 0.720 175.391 174.700 -0.048 0.000 1.092 412 T CA -0.076 61.977 62.100 -0.079 0.000 1.121 412 T CB -0.138 68.692 68.868 -0.064 0.000 0.912 412 T HN 0.374 nan 8.240 nan 0.000 0.489 413 V N -1.674 118.134 119.914 -0.177 0.000 2.531 413 V HA 0.811 4.931 4.120 -0.000 0.000 0.301 413 V C -1.777 174.225 176.094 -0.154 0.000 1.034 413 V CA -1.761 60.500 62.300 -0.064 0.000 0.865 413 V CB 0.886 32.685 31.823 -0.040 0.000 0.995 413 V HN 0.358 nan 8.190 nan 0.000 0.424 414 W N 3.578 124.834 121.300 -0.073 0.000 2.844 414 W HA 0.732 5.392 4.660 -0.000 0.000 0.340 414 W C -2.718 173.800 176.519 -0.001 0.000 1.093 414 W CA -2.505 54.821 57.345 -0.031 0.000 1.212 414 W CB 1.806 31.267 29.460 0.001 0.000 1.422 414 W HN 0.345 nan 8.180 nan 0.000 0.515 415 P HA 0.077 nan 4.420 nan 0.000 0.271 415 P C 0.837 178.288 177.300 0.251 0.000 1.226 415 P CA 0.366 63.588 63.100 0.203 0.000 0.765 415 P CB 0.829 32.623 31.700 0.157 0.000 0.835 416 T N 2.781 117.441 114.554 0.176 0.000 2.699 416 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 416 T C 1.770 176.573 174.700 0.172 0.000 1.036 416 T CA 1.780 63.976 62.100 0.159 0.000 1.147 416 T CB -0.350 68.577 68.868 0.097 0.000 0.862 416 T HN 0.432 nan 8.240 nan 0.000 0.446 417 R N 1.458 122.042 120.500 0.141 0.000 2.091 417 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 417 R C 2.122 178.508 176.300 0.143 0.000 1.136 417 R CA 1.852 58.023 56.100 0.118 0.000 0.959 417 R CB -0.388 29.969 30.300 0.095 0.000 0.856 417 R HN 0.476 nan 8.270 nan 0.000 0.437 418 E N -1.162 119.162 120.200 0.208 0.000 2.150 418 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 418 E C 1.592 178.374 176.600 0.304 0.000 0.985 418 E CA 1.166 57.731 56.400 0.275 0.000 0.814 418 E CB -0.213 29.693 29.700 0.343 0.000 0.752 418 E HN 0.430 nan 8.360 nan 0.000 0.466 419 Y N 1.546 121.889 120.300 0.071 0.000 2.200 419 Y HA -0.183 4.367 4.550 -0.000 0.000 0.290 419 Y C 2.357 178.159 175.900 -0.163 0.000 1.137 419 Y CA 1.639 59.489 58.100 -0.416 0.000 1.163 419 Y CB -0.339 37.724 38.460 -0.662 0.000 0.988 419 Y HN -0.110 nan 8.280 nan 0.000 0.518 420 T N 0.414 114.929 114.554 -0.065 0.000 2.684 420 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 420 T C 1.327 175.976 174.700 -0.085 0.000 1.036 420 T CA 1.747 63.790 62.100 -0.094 0.000 1.148 420 T CB -0.397 68.482 68.868 0.017 0.000 0.863 420 T HN 0.355 nan 8.240 nan 0.000 0.436 421 D N 0.468 120.873 120.400 0.008 0.000 2.104 421 D HA -0.072 4.568 4.640 -0.000 0.000 0.194 421 D C 1.662 178.007 176.300 0.076 0.000 0.994 421 D CA 0.760 54.793 54.000 0.055 0.000 0.830 421 D CB -0.505 40.352 40.800 0.095 0.000 0.959 421 D HN 0.368 nan 8.370 nan 0.000 0.452 422 F N 1.777 121.667 119.950 -0.099 0.000 2.095 422 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 422 F C 2.282 178.035 175.800 -0.079 0.000 1.104 422 F CA 1.435 59.390 58.000 -0.075 0.000 1.232 422 F CB -0.086 38.788 39.000 -0.209 0.000 0.987 422 F HN -0.205 nan 8.300 nan 0.000 0.475 423 R N 0.377 120.653 120.500 -0.374 0.000 2.094 423 R HA -0.244 4.096 4.340 -0.000 0.000 0.239 423 R C 2.362 178.534 176.300 -0.214 0.000 1.137 423 R CA 2.191 58.081 56.100 -0.350 0.000 0.943 423 R CB -0.804 29.286 30.300 -0.350 0.000 0.850 423 R HN 0.637 nan 8.270 nan 0.000 0.433 424 E N -0.609 119.507 120.200 -0.141 0.000 2.285 424 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 424 E C 1.652 178.202 176.600 -0.084 0.000 0.997 424 E CA 0.786 57.123 56.400 -0.104 0.000 0.845 424 E CB -0.289 29.376 29.700 -0.058 0.000 0.782 424 E HN 0.420 nan 8.360 nan 0.000 0.491 425 Y N 1.054 121.261 120.300 -0.156 0.000 2.130 425 Y HA -0.024 4.526 4.550 -0.000 0.000 0.287 425 Y C 1.108 176.925 175.900 -0.139 0.000 1.124 425 Y CA 0.927 58.961 58.100 -0.111 0.000 1.118 425 Y CB -0.235 38.202 38.460 -0.039 0.000 0.994 425 Y HN 0.091 nan 8.280 nan 0.000 0.497 426 F N 0.493 120.278 119.950 -0.274 0.000 2.521 426 F HA -0.002 4.525 4.527 -0.000 0.000 0.298 426 F C 1.024 176.649 175.800 -0.293 0.000 1.289 426 F CA 0.181 57.961 58.000 -0.367 0.000 1.315 426 F CB 0.197 38.778 39.000 -0.697 0.000 1.257 426 F HN 0.124 nan 8.300 nan 0.000 0.541 427 M N 2.115 120.749 119.600 -1.609 0.000 2.175 427 M HA -0.259 4.221 4.480 -0.000 0.000 0.192 427 M C 0.281 176.267 176.300 -0.523 0.000 0.473 427 M CA 0.764 55.435 55.300 -1.048 0.000 0.414 427 M CB -1.112 31.090 32.600 -0.663 0.000 1.069 427 M HN 0.806 nan 8.290 nan 0.000 0.933 428 E N -1.083 118.843 120.200 -0.457 0.000 2.474 428 E HA 0.179 4.529 4.350 -0.000 0.000 0.195 428 E C -0.029 176.424 176.600 -0.244 0.000 1.039 428 E CA 0.136 56.355 56.400 -0.301 0.000 0.881 428 E CB 0.696 30.226 29.700 -0.283 0.000 0.970 428 E HN 0.403 nan 8.360 nan 0.000 0.486 429 V N 0.952 120.703 119.914 -0.272 0.000 2.483 429 V HA 0.565 4.685 4.120 -0.000 0.000 0.297 429 V C -0.659 175.317 176.094 -0.197 0.000 1.027 429 V CA -0.600 61.579 62.300 -0.202 0.000 0.855 429 V CB 1.603 33.326 31.823 -0.167 0.000 0.995 429 V HN 0.066 nan 8.190 nan 0.000 0.424 430 A N 3.066 125.797 122.820 -0.148 0.000 2.839 430 A HA 0.478 4.798 4.320 -0.000 0.000 0.303 430 A C -0.396 177.135 177.584 -0.090 0.000 1.181 430 A CA -0.309 51.657 52.037 -0.118 0.000 0.808 430 A CB 0.589 19.518 19.000 -0.120 0.000 1.391 430 A HN 0.634 nan 8.150 nan 0.000 0.433 431 D N 2.430 122.782 120.400 -0.079 0.000 2.615 431 D HA 0.407 5.047 4.640 -0.000 0.000 0.236 431 D C 1.155 177.423 176.300 -0.052 0.000 1.233 431 D CA 0.283 54.242 54.000 -0.068 0.000 0.829 431 D CB -0.490 40.268 40.800 -0.070 0.000 1.024 431 D HN 0.648 nan 8.370 nan 0.000 0.490 432 L N -1.474 119.720 121.223 -0.048 0.000 5.895 432 L HA -0.354 3.986 4.340 -0.000 0.000 0.053 432 L C 0.625 177.474 176.870 -0.034 0.000 2.741 432 L CA 1.266 56.084 54.840 -0.037 0.000 1.500 432 L CB -1.644 40.395 42.059 -0.033 0.000 2.928 432 L HN 0.285 nan 8.230 nan 0.000 1.023 433 N N -0.393 118.289 118.700 -0.030 0.000 3.112 433 N HA 0.647 5.387 4.740 -0.000 0.000 0.231 433 N C -0.377 175.119 175.510 -0.025 0.000 1.385 433 N CA 0.450 53.483 53.050 -0.028 0.000 0.790 433 N CB 0.484 38.957 38.487 -0.023 0.000 1.563 433 N HN 1.150 nan 8.380 nan 0.000 0.613 434 S N 1.050 116.734 115.700 -0.027 0.000 2.560 434 S HA 0.501 4.971 4.470 -0.000 0.000 0.276 434 S C -1.248 173.340 174.600 -0.019 0.000 1.350 434 S CA -0.506 57.680 58.200 -0.024 0.000 1.024 434 S CB -0.716 62.468 63.200 -0.026 0.000 0.864 434 S HN 0.584 nan 8.310 nan 0.000 0.536 435 P HA -0.095 nan 4.420 nan 0.000 0.041 435 P C 0.186 177.479 177.300 -0.012 0.000 0.590 435 P CA 0.560 63.651 63.100 -0.014 0.000 1.019 435 P CB -0.682 31.010 31.700 -0.013 0.000 1.776 436 L N 0.518 121.734 121.223 -0.012 0.000 2.127 436 L HA -0.102 4.238 4.340 -0.000 0.000 0.203 436 L C 2.673 179.538 176.870 -0.008 0.000 1.080 436 L CA 1.623 56.457 54.840 -0.010 0.000 0.768 436 L CB -1.009 41.044 42.059 -0.010 0.000 0.924 436 L HN 0.071 nan 8.230 nan 0.000 0.444 437 K N 0.939 121.333 120.400 -0.010 0.000 2.362 437 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 437 K C 1.518 178.113 176.600 -0.008 0.000 1.045 437 K CA 1.931 58.213 56.287 -0.009 0.000 0.936 437 K CB -0.806 31.688 32.500 -0.010 0.000 0.747 437 K HN 0.513 nan 8.250 nan 0.000 0.467 438 I N -1.816 118.749 120.570 -0.008 0.000 4.439 438 I HA 0.223 4.393 4.170 -0.000 0.000 0.331 438 I C 2.417 178.530 176.117 -0.007 0.000 1.345 438 I CA 0.416 61.712 61.300 -0.008 0.000 1.193 438 I CB 0.752 38.747 38.000 -0.008 0.000 1.221 438 I HN 0.217 nan 8.210 nan 0.000 0.429 439 A N 1.630 124.446 122.820 -0.007 0.000 1.862 439 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 439 A C 1.435 179.016 177.584 -0.005 0.000 1.251 439 A CA 2.132 54.165 52.037 -0.006 0.000 0.673 439 A CB -1.160 17.837 19.000 -0.005 0.000 0.843 439 A HN 0.416 nan 8.150 nan 0.000 0.458 440 G N 0.000 108.798 108.800 -0.004 0.000 5.446 440 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 440 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 440 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 440 G HN 0.000 nan 8.290 nan 0.000 0.925